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 2zm3_1_C DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX XXXXLAPPSL SKMIQMAGEI ADGMAYLNAN DATA SEQUENCE KFVHRDLAAR NCMVAEDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM DATA SEQUENCE SPESLKDGVF TTYSDVWSFG VVLWEIATLA EQPYQGLSNE QVLRFVMEGG DATA SEQUENCE LLDKPDNCPD MLFELMRMCW QYNPKMRPSF LEIISSIKEE MEPGFREVSF DATA SEQUENCE YYSEEN 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 980 S HA 0.000 nan 4.470 nan 0.000 0.327 980 S C 0.000 174.665 174.600 0.109 0.000 1.055 980 S CA 0.000 58.249 58.200 0.083 0.000 1.107 980 S CB 0.000 63.249 63.200 0.083 0.000 0.593 981 F N 4.862 124.823 119.950 0.018 0.000 2.602 981 F HA 0.493 5.020 4.527 0.000 0.000 0.385 981 F C 0.384 176.203 175.800 0.032 0.000 1.063 981 F CA 1.553 59.567 58.000 0.024 0.000 1.233 981 F CB 0.742 39.755 39.000 0.020 0.000 1.067 981 F HN 0.455 nan 8.300 nan 0.000 0.564 982 S N 3.900 119.335 115.700 -0.442 0.000 2.819 982 S HA 0.719 5.189 4.470 0.000 0.000 0.299 982 S C 0.458 174.878 174.600 -0.300 0.000 1.192 982 S CA -0.415 57.649 58.200 -0.227 0.000 0.847 982 S CB 0.908 64.047 63.200 -0.102 0.000 1.224 982 S HN 0.830 nan 8.310 nan 0.000 0.537 983 A N 0.503 123.271 122.820 -0.086 0.000 1.969 983 A HA 0.325 4.645 4.320 0.000 0.000 0.218 983 A C 2.235 179.850 177.584 0.051 0.000 1.169 983 A CA 1.775 53.846 52.037 0.056 0.000 0.635 983 A CB -1.627 17.361 19.000 -0.019 0.000 0.810 983 A HN 1.531 nan 8.150 nan 0.000 0.445 984 A N -0.381 122.409 122.820 -0.051 0.000 2.125 984 A HA -0.155 4.165 4.320 0.000 0.000 0.219 984 A C 1.606 179.145 177.584 -0.076 0.000 1.156 984 A CA 1.622 53.639 52.037 -0.034 0.000 0.671 984 A CB -0.356 18.625 19.000 -0.032 0.000 0.794 984 A HN 0.517 nan 8.150 nan 0.000 0.459 985 D N -1.019 119.252 120.400 -0.215 0.000 2.305 985 D HA 0.042 4.682 4.640 0.000 0.000 0.206 985 D C 1.727 177.927 176.300 -0.167 0.000 0.974 985 D CA 0.939 54.778 54.000 -0.269 0.000 0.871 985 D CB 0.417 40.825 40.800 -0.652 0.000 0.947 985 D HN 0.311 nan 8.370 nan 0.000 0.516 986 V N -0.232 119.601 119.914 -0.135 0.000 2.788 986 V HA -0.067 4.053 4.120 0.000 0.000 0.241 986 V C 1.419 177.401 176.094 -0.187 0.000 1.083 986 V CA 0.625 62.838 62.300 -0.146 0.000 1.103 986 V CB -0.327 31.367 31.823 -0.214 0.000 0.800 986 V HN 0.094 nan 8.190 nan 0.000 0.476 987 Y N -0.321 119.939 120.300 -0.067 0.000 2.466 987 Y HA 0.304 4.854 4.550 0.000 0.000 0.272 987 Y C 0.762 176.616 175.900 -0.075 0.000 1.169 987 Y CA -0.040 58.021 58.100 -0.065 0.000 1.285 987 Y CB 0.348 38.762 38.460 -0.076 0.000 1.078 987 Y HN -0.006 nan 8.280 nan 0.000 0.523 988 V N 2.568 122.518 119.914 0.060 0.000 2.383 988 V HA 0.154 4.274 4.120 0.000 0.000 0.275 988 V C -1.753 174.371 176.094 0.051 0.000 1.036 988 V CA -1.717 60.600 62.300 0.028 0.000 0.889 988 V CB 1.451 33.289 31.823 0.025 0.000 0.985 988 V HN 0.015 nan 8.190 nan 0.000 0.459 989 P HA 0.063 nan 4.420 nan 0.000 0.269 989 P C 0.614 178.018 177.300 0.174 0.000 1.376 989 P CA 0.398 63.595 63.100 0.162 0.000 0.775 989 P CB -0.015 31.864 31.700 0.298 0.000 1.345 990 D N -0.798 119.677 120.400 0.125 0.000 3.617 990 D HA -0.281 4.359 4.640 0.000 0.000 0.204 990 D C 1.359 177.687 176.300 0.048 0.000 1.692 990 D CA 2.243 56.288 54.000 0.075 0.000 2.132 990 D CB -1.100 39.724 40.800 0.041 0.000 1.315 990 D HN 0.351 nan 8.370 nan 0.000 0.468 991 E N -1.314 118.896 120.200 0.017 0.000 2.110 991 E HA -0.154 4.196 4.350 0.000 0.000 0.193 991 E C 1.516 178.000 176.600 -0.194 0.000 0.988 991 E CA 1.225 57.541 56.400 -0.141 0.000 0.804 991 E CB -0.243 29.292 29.700 -0.275 0.000 0.745 991 E HN 0.589 nan 8.360 nan 0.000 0.458 992 W N 1.711 122.992 121.300 -0.032 0.000 3.204 992 W HA 0.064 4.724 4.660 0.000 0.000 0.249 992 W C 0.700 177.201 176.519 -0.029 0.000 1.322 992 W CA -0.357 56.966 57.345 -0.036 0.000 1.593 992 W CB -0.069 29.360 29.460 -0.052 0.000 1.122 992 W HN -0.050 nan 8.180 nan 0.000 0.710 993 E N 1.211 121.486 120.200 0.125 0.000 2.392 993 E HA 0.259 4.609 4.350 0.000 0.000 0.264 993 E C -0.344 176.286 176.600 0.051 0.000 1.024 993 E CA -0.072 56.376 56.400 0.079 0.000 0.903 993 E CB 0.712 30.440 29.700 0.047 0.000 0.963 993 E HN -0.054 nan 8.360 nan 0.000 0.432 994 V N 0.976 120.919 119.914 0.050 0.000 2.888 994 V HA 0.848 4.968 4.120 0.000 0.000 0.309 994 V C -0.395 175.715 176.094 0.027 0.000 1.114 994 V CA -0.804 61.516 62.300 0.034 0.000 0.940 994 V CB 1.468 33.316 31.823 0.041 0.000 1.021 994 V HN 0.807 nan 8.190 nan 0.000 0.426 995 A N 3.932 126.763 122.820 0.017 0.000 2.363 995 A HA 0.559 4.879 4.320 0.000 0.000 0.270 995 A C 1.175 178.766 177.584 0.012 0.000 1.121 995 A CA -0.403 51.642 52.037 0.013 0.000 0.800 995 A CB 0.305 19.310 19.000 0.008 0.000 1.052 995 A HN 0.985 nan 8.150 nan 0.000 0.493 996 R N 1.303 121.808 120.500 0.010 0.000 2.159 996 R HA -0.207 4.133 4.340 0.000 0.000 0.237 996 R C 1.539 177.839 176.300 0.001 0.000 1.131 996 R CA 1.846 57.948 56.100 0.005 0.000 0.982 996 R CB -0.264 30.036 30.300 -0.000 0.000 0.868 996 R HN 0.969 nan 8.270 nan 0.000 0.453 997 E N 1.722 121.923 120.200 0.001 0.000 2.153 997 E HA -0.192 4.158 4.350 0.000 0.000 0.194 997 E C 1.265 177.866 176.600 0.001 0.000 0.988 997 E CA 1.080 57.480 56.400 -0.001 0.000 0.811 997 E CB -0.190 29.509 29.700 -0.000 0.000 0.746 997 E HN 0.316 nan 8.360 nan 0.000 0.466 998 K N 0.244 120.646 120.400 0.004 0.000 2.504 998 K HA 0.064 4.384 4.320 0.000 0.000 0.195 998 K C 0.197 176.802 176.600 0.007 0.000 1.036 998 K CA 0.292 56.583 56.287 0.005 0.000 0.984 998 K CB 0.232 32.736 32.500 0.008 0.000 0.788 998 K HN 0.163 nan 8.250 nan 0.000 0.488 999 I N 1.315 121.888 120.570 0.005 0.000 2.493 999 I HA 0.175 4.345 4.170 0.000 0.000 0.298 999 I C -0.329 175.786 176.117 -0.004 0.000 0.998 999 I CA -0.432 60.872 61.300 0.005 0.000 1.137 999 I CB 1.741 39.747 38.000 0.009 0.000 1.310 999 I HN -0.136 nan 8.210 nan 0.000 0.445 1000 T N 4.936 119.487 114.554 -0.005 0.000 3.187 1000 T HA 0.464 4.814 4.350 0.000 0.000 0.328 1000 T C -0.042 174.648 174.700 -0.016 0.000 0.951 1000 T CA -0.594 61.498 62.100 -0.015 0.000 1.049 1000 T CB 1.162 70.025 68.868 -0.009 0.000 1.015 1000 T HN 0.344 nan 8.240 nan 0.000 0.461 1001 M N 1.895 121.468 119.600 -0.044 0.000 2.103 1001 M HA 0.486 4.966 4.480 0.000 0.000 0.291 1001 M C 0.614 176.896 176.300 -0.030 0.000 1.216 1001 M CA 0.388 55.656 55.300 -0.054 0.000 1.132 1001 M CB 0.701 33.193 32.600 -0.180 0.000 1.396 1001 M HN 0.738 nan 8.290 nan 0.000 0.479 1002 S N -1.497 114.211 115.700 0.014 0.000 4.261 1002 S HA 0.373 4.843 4.470 0.000 0.000 0.232 1002 S C -1.060 173.611 174.600 0.118 0.000 1.122 1002 S CA -0.902 57.326 58.200 0.045 0.000 1.487 1002 S CB 0.324 63.553 63.200 0.049 0.000 1.550 1002 S HN 0.714 nan 8.310 nan 0.000 0.699 1003 R N 2.495 123.070 120.500 0.125 0.000 2.641 1003 R HA 0.377 4.717 4.340 0.000 0.000 0.269 1003 R C -0.127 176.304 176.300 0.219 0.000 1.074 1003 R CA -0.390 55.797 56.100 0.144 0.000 1.133 1003 R CB -0.040 30.306 30.300 0.077 0.000 1.029 1003 R HN 0.627 nan 8.270 nan 0.000 0.488 1004 E N 3.150 123.438 120.200 0.147 0.000 2.259 1004 E HA 0.030 4.380 4.350 0.000 0.000 0.281 1004 E C -0.091 176.451 176.600 -0.097 0.000 1.037 1004 E CA -0.455 55.886 56.400 -0.099 0.000 0.854 1004 E CB 0.928 30.494 29.700 -0.224 0.000 1.051 1004 E HN 0.708 nan 8.360 nan 0.000 0.409 1005 L N 3.109 124.253 121.223 -0.132 0.000 2.307 1005 L HA 0.266 4.606 4.340 0.000 0.000 0.211 1005 L C 1.072 177.890 176.870 -0.086 0.000 1.099 1005 L CA 0.915 55.713 54.840 -0.070 0.000 0.816 1005 L CB -0.052 41.986 42.059 -0.036 0.000 0.952 1005 L HN 0.915 nan 8.230 nan 0.000 0.455 1006 G N -0.658 108.055 108.800 -0.145 0.000 2.345 1006 G HA2 0.044 4.004 3.960 0.000 0.000 0.310 1006 G HA3 0.044 4.004 3.960 0.000 0.000 0.310 1006 G C -1.687 173.138 174.900 -0.126 0.000 1.476 1006 G CA -0.841 44.191 45.100 -0.114 0.000 0.978 1006 G HN -0.131 nan 8.290 nan 0.000 0.656 1007 Q N -0.069 119.673 119.800 -0.096 0.000 2.313 1007 Q HA 0.566 4.906 4.340 0.000 0.000 0.266 1007 Q C 0.815 176.780 176.000 -0.059 0.000 0.989 1007 Q CA 1.099 56.851 55.803 -0.084 0.000 0.890 1007 Q CB 0.900 29.597 28.738 -0.069 0.000 1.200 1007 Q HN 1.130 nan 8.270 nan 0.000 0.396 1008 G N 0.812 109.588 108.800 -0.041 0.000 2.642 1008 G HA2 0.303 4.263 3.960 0.000 0.000 0.291 1008 G HA3 0.303 4.263 3.960 0.000 0.000 0.291 1008 G C 0.431 175.300 174.900 -0.051 0.000 1.345 1008 G CA -0.103 44.992 45.100 -0.009 0.000 1.043 1008 G HN 0.772 nan 8.290 nan 0.000 0.528 1009 S N -1.503 114.147 115.700 -0.083 0.000 2.453 1009 S HA 0.047 4.517 4.470 0.000 0.000 0.231 1009 S C 1.454 175.776 174.600 -0.465 0.000 1.005 1009 S CA 0.939 58.956 58.200 -0.304 0.000 0.949 1009 S CB -0.248 62.689 63.200 -0.438 0.000 0.774 1009 S HN 0.375 nan 8.310 nan 0.000 0.510 1010 F N 1.346 121.294 119.950 -0.004 0.000 2.727 1010 F HA 0.553 5.080 4.527 0.000 0.000 0.302 1010 F C 1.383 177.094 175.800 -0.149 0.000 1.107 1010 F CA 0.153 58.108 58.000 -0.076 0.000 1.277 1010 F CB 1.061 40.008 39.000 -0.088 0.000 1.079 1010 F HN 0.510 nan 8.300 nan 0.000 0.594 1011 G N -0.127 108.694 108.800 0.034 0.000 2.320 1011 G HA2 0.350 4.310 3.960 0.000 0.000 0.296 1011 G HA3 0.350 4.310 3.960 0.000 0.000 0.296 1011 G C -1.782 173.100 174.900 -0.029 0.000 1.306 1011 G CA -1.088 44.000 45.100 -0.021 0.000 0.836 1011 G HN -0.147 nan 8.290 nan 0.000 0.517 1012 M N 0.728 120.296 119.600 -0.053 0.000 2.238 1012 M HA 0.566 5.046 4.480 0.000 0.000 0.347 1012 M C -0.220 175.953 176.300 -0.211 0.000 1.173 1012 M CA -0.140 55.056 55.300 -0.173 0.000 1.147 1012 M CB 1.041 33.487 32.600 -0.256 0.000 1.547 1012 M HN 0.386 nan 8.290 nan 0.000 0.455 1013 V N 6.586 126.331 119.914 -0.281 0.000 2.483 1013 V HA 0.458 4.578 4.120 0.000 0.000 0.295 1013 V C -0.858 175.034 176.094 -0.338 0.000 1.035 1013 V CA -0.536 61.665 62.300 -0.165 0.000 0.896 1013 V CB 0.992 32.785 31.823 -0.049 0.000 0.986 1013 V HN 0.808 nan 8.190 nan 0.000 0.447 1014 Y N 1.228 121.545 120.300 0.028 0.000 2.621 1014 Y HA 0.543 5.093 4.550 0.000 0.000 0.334 1014 Y C 0.357 176.270 175.900 0.022 0.000 1.074 1014 Y CA -0.861 57.251 58.100 0.021 0.000 1.149 1014 Y CB 1.457 39.927 38.460 0.017 0.000 1.302 1014 Y HN 0.617 nan 8.280 nan 0.000 0.501 1015 E N 0.031 120.350 120.200 0.199 0.000 2.250 1015 E HA 0.688 5.038 4.350 0.000 0.000 0.265 1015 E C -0.445 176.219 176.600 0.106 0.000 1.033 1015 E CA -0.429 56.040 56.400 0.116 0.000 0.888 1015 E CB 1.514 31.260 29.700 0.076 0.000 1.151 1015 E HN 0.859 nan 8.360 nan 0.000 0.412 1016 G N 0.044 108.884 108.800 0.067 0.000 2.427 1016 G HA2 0.396 4.356 3.960 0.000 0.000 0.306 1016 G HA3 0.396 4.356 3.960 0.000 0.000 0.306 1016 G C -1.678 173.241 174.900 0.032 0.000 1.280 1016 G CA -0.473 44.653 45.100 0.044 0.000 0.837 1016 G HN 0.458 nan 8.290 nan 0.000 0.482 1017 V N -0.054 119.873 119.914 0.023 0.000 2.789 1017 V HA 0.862 4.982 4.120 0.000 0.000 0.311 1017 V C 0.126 176.230 176.094 0.018 0.000 1.073 1017 V CA -0.119 62.192 62.300 0.019 0.000 0.921 1017 V CB 1.385 33.216 31.823 0.013 0.000 1.009 1017 V HN 1.687 nan 8.190 nan 0.000 0.426 1018 A N 3.843 126.675 122.820 0.019 0.000 2.435 1018 A HA 0.859 5.179 4.320 0.000 0.000 0.304 1018 A C -0.854 176.738 177.584 0.014 0.000 1.064 1018 A CA -0.798 51.251 52.037 0.019 0.000 0.727 1018 A CB 1.797 20.813 19.000 0.027 0.000 1.284 1018 A HN 0.723 nan 8.150 nan 0.000 0.415 1019 K N 0.158 120.565 120.400 0.011 0.000 2.221 1019 K HA 0.540 4.860 4.320 0.000 0.000 0.258 1019 K C 0.819 177.422 176.600 0.005 0.000 0.944 1019 K CA 0.317 56.608 56.287 0.007 0.000 0.823 1019 K CB 1.568 34.071 32.500 0.004 0.000 1.113 1019 K HN 1.676 nan 8.250 nan 0.000 0.431 1020 G N 0.851 109.652 108.800 0.001 0.000 2.184 1020 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 1020 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 1020 G C 0.690 175.587 174.900 -0.005 0.000 0.975 1020 G CA 0.665 45.762 45.100 -0.004 0.000 0.642 1020 G HN 0.517 nan 8.290 nan 0.000 0.536 1021 V N -2.190 117.727 119.914 0.005 0.000 3.141 1021 V HA 0.447 4.567 4.120 0.000 0.000 0.265 1021 V C 1.051 177.152 176.094 0.010 0.000 1.126 1021 V CA 1.005 63.313 62.300 0.012 0.000 1.141 1021 V CB 0.033 31.874 31.823 0.030 0.000 0.743 1021 V HN 0.610 nan 8.190 nan 0.000 0.492 1022 V N 0.964 120.882 119.914 0.006 0.000 2.638 1022 V HA 0.336 4.456 4.120 0.000 0.000 0.306 1022 V C 0.022 176.115 176.094 -0.002 0.000 1.052 1022 V CA -1.346 60.958 62.300 0.006 0.000 0.885 1022 V CB 1.834 33.665 31.823 0.013 0.000 0.999 1022 V HN 0.472 nan 8.190 nan 0.000 0.424 1023 K N 4.029 124.425 120.400 -0.007 0.000 2.491 1023 K HA -0.005 4.315 4.320 0.000 0.000 0.279 1023 K C 0.312 176.908 176.600 -0.006 0.000 1.026 1023 K CA 0.858 57.139 56.287 -0.011 0.000 1.070 1023 K CB 0.149 32.641 32.500 -0.014 0.000 0.887 1023 K HN 0.822 nan 8.250 nan 0.000 0.481 1024 D N 1.158 121.554 120.400 -0.007 0.000 2.337 1024 D HA -0.208 4.432 4.640 0.000 0.000 0.194 1024 D C -0.412 175.887 176.300 -0.002 0.000 1.448 1024 D CA 1.600 55.597 54.000 -0.005 0.000 1.699 1024 D CB -0.610 40.188 40.800 -0.004 0.000 1.398 1024 D HN 0.833 nan 8.370 nan 0.000 0.553 1025 E N 1.891 122.092 120.200 0.000 0.000 2.180 1025 E HA 0.201 4.551 4.350 0.000 0.000 0.283 1025 E C -1.725 174.877 176.600 0.002 0.000 1.061 1025 E CA -1.556 54.845 56.400 0.003 0.000 0.861 1025 E CB 1.507 31.211 29.700 0.006 0.000 1.056 1025 E HN -0.029 nan 8.360 nan 0.000 0.407 1026 P HA -0.168 nan 4.420 nan 0.000 0.205 1026 P C -0.389 176.913 177.300 0.003 0.000 1.181 1026 P CA 1.217 64.318 63.100 0.001 0.000 0.933 1026 P CB 0.229 31.930 31.700 0.002 0.000 0.775 1027 E N -1.135 119.068 120.200 0.005 0.000 2.280 1027 E HA 0.434 4.784 4.350 0.000 0.000 0.261 1027 E C -0.569 176.037 176.600 0.009 0.000 1.088 1027 E CA -0.184 56.220 56.400 0.007 0.000 0.915 1027 E CB 0.845 30.549 29.700 0.007 0.000 1.141 1027 E HN 0.015 nan 8.360 nan 0.000 0.433 1028 T N 1.096 115.658 114.554 0.012 0.000 2.993 1028 T HA 0.295 4.645 4.350 0.000 0.000 0.312 1028 T C -0.642 174.068 174.700 0.017 0.000 1.115 1028 T CA -0.859 61.250 62.100 0.014 0.000 1.027 1028 T CB 1.169 70.047 68.868 0.017 0.000 1.116 1028 T HN 0.268 nan 8.240 nan 0.000 0.464 1029 R N 1.659 122.169 120.500 0.016 0.000 2.389 1029 R HA 0.616 4.956 4.340 0.000 0.000 0.295 1029 R C 0.074 176.387 176.300 0.022 0.000 1.075 1029 R CA -0.499 55.611 56.100 0.017 0.000 1.005 1029 R CB 0.669 30.975 30.300 0.011 0.000 0.987 1029 R HN 0.551 nan 8.270 nan 0.000 0.452 1030 V N -1.235 118.697 119.914 0.029 0.000 3.130 1030 V HA 0.886 5.006 4.120 0.000 0.000 0.310 1030 V C -0.793 175.329 176.094 0.048 0.000 1.158 1030 V CA -1.267 61.056 62.300 0.038 0.000 1.029 1030 V CB 2.051 33.900 31.823 0.043 0.000 1.057 1030 V HN 0.790 nan 8.190 nan 0.000 0.436 1031 A N 2.702 125.554 122.820 0.053 0.000 2.317 1031 A HA 0.887 5.207 4.320 0.000 0.000 0.327 1031 A C -0.612 177.026 177.584 0.091 0.000 1.178 1031 A CA -0.690 51.388 52.037 0.068 0.000 0.817 1031 A CB 0.825 19.857 19.000 0.053 0.000 1.189 1031 A HN 0.823 nan 8.150 nan 0.000 0.489 1032 I N 2.358 123.004 120.570 0.127 0.000 2.355 1032 I HA 0.274 4.444 4.170 0.000 0.000 0.288 1032 I C -0.184 176.046 176.117 0.188 0.000 0.999 1032 I CA -0.330 61.063 61.300 0.156 0.000 1.163 1032 I CB 1.251 39.353 38.000 0.171 0.000 1.316 1032 I HN 0.641 nan 8.210 nan 0.000 0.454 1033 K N 4.981 125.501 120.400 0.200 0.000 2.248 1033 K HA 0.428 4.748 4.320 0.000 0.000 0.281 1033 K C 0.331 177.078 176.600 0.245 0.000 1.054 1033 K CA -0.380 56.059 56.287 0.253 0.000 0.903 1033 K CB 1.620 34.338 32.500 0.363 0.000 1.077 1033 K HN 0.705 nan 8.250 nan 0.000 0.474 1034 T N -1.588 113.033 114.554 0.112 0.000 2.940 1034 T HA 0.492 4.842 4.350 0.000 0.000 0.288 1034 T C -0.159 174.370 174.700 -0.285 0.000 1.033 1034 T CA -0.811 61.279 62.100 -0.017 0.000 1.033 1034 T CB 1.431 70.358 68.868 0.098 0.000 1.079 1034 T HN 0.138 nan 8.240 nan 0.000 0.496 1035 V N 3.014 122.706 119.914 -0.370 0.000 2.459 1035 V HA 0.301 4.421 4.120 0.000 0.000 0.295 1035 V C 1.079 177.070 176.094 -0.173 0.000 1.029 1035 V CA -0.969 61.083 62.300 -0.413 0.000 0.874 1035 V CB 1.484 32.945 31.823 -0.604 0.000 0.985 1035 V HN 0.952 nan 8.190 nan 0.000 0.438 1036 N N 2.915 121.550 118.700 -0.109 0.000 2.580 1036 N HA -0.179 4.562 4.740 0.000 0.000 0.193 1036 N C 1.443 176.931 175.510 -0.037 0.000 1.075 1036 N CA 1.408 54.429 53.050 -0.048 0.000 0.921 1036 N CB -0.137 38.332 38.487 -0.030 0.000 0.950 1036 N HN 0.952 nan 8.380 nan 0.000 0.449 1037 E N -2.171 117.998 120.200 -0.052 0.000 4.851 1037 E HA -0.307 4.043 4.350 0.000 0.000 0.236 1037 E C 0.568 177.154 176.600 -0.024 0.000 0.875 1037 E CA 1.040 57.419 56.400 -0.035 0.000 1.939 1037 E CB -1.526 28.161 29.700 -0.022 0.000 1.780 1037 E HN 0.340 nan 8.360 nan 0.000 0.453 1038 A N 0.624 123.433 122.820 -0.019 0.000 2.275 1038 A HA 0.644 4.964 4.320 0.000 0.000 0.212 1038 A C 0.853 178.429 177.584 -0.013 0.000 1.201 1038 A CA 0.747 52.777 52.037 -0.012 0.000 0.843 1038 A CB 0.032 19.028 19.000 -0.007 0.000 0.873 1038 A HN 0.524 nan 8.150 nan 0.000 0.492 1039 A N 1.084 123.891 122.820 -0.022 0.000 2.498 1039 A HA 0.474 4.794 4.320 0.000 0.000 0.239 1039 A C 0.997 178.573 177.584 -0.013 0.000 1.068 1039 A CA 0.379 52.406 52.037 -0.017 0.000 0.766 1039 A CB -0.135 18.845 19.000 -0.033 0.000 1.003 1039 A HN 1.070 nan 8.150 nan 0.000 0.497 1040 S N 2.756 118.456 115.700 -0.000 0.000 2.600 1040 S HA 0.207 4.677 4.470 0.000 0.000 0.265 1040 S C 1.203 175.798 174.600 -0.010 0.000 1.325 1040 S CA 0.283 58.483 58.200 0.000 0.000 1.002 1040 S CB 0.387 63.591 63.200 0.008 0.000 0.921 1040 S HN 0.822 nan 8.310 nan 0.000 0.554 1041 M N 0.672 120.266 119.600 -0.010 0.000 2.108 1041 M HA -0.146 4.334 4.480 0.000 0.000 0.261 1041 M C 2.334 178.604 176.300 -0.050 0.000 1.066 1041 M CA 1.919 57.203 55.300 -0.027 0.000 1.107 1041 M CB -0.307 32.291 32.600 -0.004 0.000 1.356 1041 M HN 0.841 nan 8.290 nan 0.000 0.406 1042 R N 0.827 121.313 120.500 -0.024 0.000 2.103 1042 R HA -0.165 4.175 4.340 0.000 0.000 0.242 1042 R C 1.756 178.049 176.300 -0.012 0.000 1.142 1042 R CA 2.061 58.148 56.100 -0.023 0.000 0.960 1042 R CB -0.679 29.624 30.300 0.005 0.000 0.858 1042 R HN 0.451 nan 8.270 nan 0.000 0.439 1043 E N -0.116 120.101 120.200 0.027 0.000 2.158 1043 E HA -0.056 4.294 4.350 0.000 0.000 0.191 1043 E C 2.095 178.702 176.600 0.012 0.000 0.982 1043 E CA 0.657 57.124 56.400 0.112 0.000 0.823 1043 E CB -0.119 29.679 29.700 0.163 0.000 0.766 1043 E HN 0.381 nan 8.360 nan 0.000 0.468 1044 R N 0.358 120.822 120.500 -0.060 0.000 2.075 1044 R HA -0.005 4.335 4.340 0.000 0.000 0.232 1044 R C 2.533 178.732 176.300 -0.168 0.000 1.126 1044 R CA 0.905 56.943 56.100 -0.103 0.000 0.963 1044 R CB -0.312 29.934 30.300 -0.090 0.000 0.858 1044 R HN 0.163 nan 8.270 nan 0.000 0.435 1045 I N 0.593 121.009 120.570 -0.257 0.000 2.163 1045 I HA -0.276 3.894 4.170 0.000 0.000 0.243 1045 I C 2.436 178.367 176.117 -0.311 0.000 1.085 1045 I CA 1.306 62.331 61.300 -0.460 0.000 1.347 1045 I CB -0.245 37.432 38.000 -0.538 0.000 1.044 1045 I HN 0.137 nan 8.210 nan 0.000 0.408 1046 E N 1.012 121.107 120.200 -0.175 0.000 2.058 1046 E HA -0.278 4.073 4.350 0.000 0.000 0.194 1046 E C 1.999 178.409 176.600 -0.316 0.000 0.997 1046 E CA 1.553 57.897 56.400 -0.095 0.000 0.801 1046 E CB -0.388 29.416 29.700 0.173 0.000 0.746 1046 E HN 0.390 nan 8.360 nan 0.000 0.450 1047 F N 0.476 119.904 119.950 -0.869 0.000 2.095 1047 F HA -0.158 4.369 4.527 0.000 0.000 0.298 1047 F C 1.802 177.277 175.800 -0.541 0.000 1.104 1047 F CA 1.563 58.863 58.000 -1.167 0.000 1.232 1047 F CB -0.296 38.078 39.000 -1.044 0.000 0.987 1047 F HN 0.047 nan 8.300 nan 0.000 0.475 1048 L N -0.173 120.807 121.223 -0.404 0.000 2.109 1048 L HA -0.189 4.151 4.340 0.000 0.000 0.207 1048 L C 2.155 178.835 176.870 -0.317 0.000 1.086 1048 L CA 1.024 55.642 54.840 -0.368 0.000 0.760 1048 L CB -0.827 41.123 42.059 -0.181 0.000 0.910 1048 L HN 0.108 nan 8.230 nan 0.000 0.437 1049 N N -0.003 118.544 118.700 -0.255 0.000 2.188 1049 N HA -0.199 4.541 4.740 0.000 0.000 0.184 1049 N C 1.752 177.138 175.510 -0.207 0.000 1.018 1049 N CA 0.999 53.944 53.050 -0.175 0.000 0.858 1049 N CB -0.057 38.363 38.487 -0.111 0.000 0.989 1049 N HN 0.355 nan 8.380 nan 0.000 0.426 1050 E N 0.281 120.337 120.200 -0.239 0.000 2.110 1050 E HA -0.074 4.276 4.350 0.000 0.000 0.193 1050 E C 1.693 178.115 176.600 -0.298 0.000 0.988 1050 E CA 0.867 57.147 56.400 -0.200 0.000 0.804 1050 E CB 0.028 29.658 29.700 -0.118 0.000 0.745 1050 E HN 0.346 nan 8.360 nan 0.000 0.458 1051 A N 0.243 122.802 122.820 -0.435 0.000 1.930 1051 A HA -0.127 4.193 4.320 0.000 0.000 0.217 1051 A C 2.304 179.600 177.584 -0.481 0.000 1.175 1051 A CA 1.578 53.331 52.037 -0.473 0.000 0.627 1051 A CB -0.374 18.293 19.000 -0.555 0.000 0.815 1051 A HN 0.199 nan 8.150 nan 0.000 0.443 1052 S N -0.548 114.904 115.700 -0.414 0.000 2.423 1052 S HA -0.081 4.389 4.470 0.000 0.000 0.231 1052 S C 1.797 176.140 174.600 -0.428 0.000 1.014 1052 S CA 1.203 59.156 58.200 -0.412 0.000 0.965 1052 S CB -0.246 62.801 63.200 -0.256 0.000 0.785 1052 S HN 0.345 nan 8.310 nan 0.000 0.495 1053 V N 1.555 121.235 119.914 -0.391 0.000 2.379 1053 V HA -0.088 4.032 4.120 0.000 0.000 0.245 1053 V C 2.129 177.688 176.094 -0.891 0.000 1.044 1053 V CA 1.529 63.547 62.300 -0.469 0.000 1.036 1053 V CB -0.450 31.209 31.823 -0.273 0.000 0.664 1053 V HN 0.481 nan 8.190 nan 0.000 0.453 1054 M N -0.925 118.242 119.600 -0.722 0.000 2.319 1054 M HA -0.111 4.369 4.480 0.000 0.000 0.265 1054 M C 2.149 177.974 176.300 -0.793 0.000 1.068 1054 M CA 1.338 56.164 55.300 -0.791 0.000 1.118 1054 M CB -0.278 32.120 32.600 -0.337 0.000 1.395 1054 M HN 0.207 nan 8.290 nan 0.000 0.435 1055 K N 0.177 120.117 120.400 -0.768 0.000 2.127 1055 K HA -0.249 4.071 4.320 0.000 0.000 0.208 1055 K C 1.708 178.030 176.600 -0.464 0.000 1.047 1055 K CA 1.450 57.252 56.287 -0.808 0.000 0.927 1055 K CB -0.211 31.663 32.500 -1.044 0.000 0.716 1055 K HN 0.413 nan 8.250 nan 0.000 0.450 1056 E N 0.006 119.833 120.200 -0.621 0.000 2.427 1056 E HA -0.076 4.274 4.350 0.000 0.000 0.196 1056 E C -0.635 175.888 176.600 -0.127 0.000 1.028 1056 E CA 0.095 56.272 56.400 -0.372 0.000 0.864 1056 E CB 0.271 29.724 29.700 -0.411 0.000 0.813 1056 E HN 0.034 nan 8.360 nan 0.000 0.514 1057 F N 1.350 121.232 119.950 -0.112 0.000 2.350 1057 F HA 0.271 4.798 4.527 0.000 0.000 0.365 1057 F C 0.134 175.921 175.800 -0.022 0.000 1.122 1057 F CA -1.482 56.508 58.000 -0.015 0.000 1.139 1057 F CB 0.476 39.343 39.000 -0.221 0.000 1.220 1057 F HN -0.177 nan 8.300 nan 0.000 0.499 1058 N N 3.274 122.112 118.700 0.230 0.000 2.936 1058 N HA 0.328 5.068 4.740 0.000 0.000 0.243 1058 N C -1.602 173.791 175.510 -0.194 0.000 1.149 1058 N CA -0.083 52.999 53.050 0.053 0.000 0.914 1058 N CB 0.664 39.225 38.487 0.124 0.000 1.179 1058 N HN 0.616 nan 8.380 nan 0.000 0.502 1059 C N 3.059 122.141 119.300 -0.363 0.000 2.783 1059 C HA 0.369 4.829 4.460 0.000 0.000 0.312 1059 C C 1.521 176.378 174.990 -0.221 0.000 1.182 1059 C CA -0.703 58.022 59.018 -0.490 0.000 1.432 1059 C CB 0.774 27.819 27.740 -1.157 0.000 1.933 1059 C HN 0.867 nan 8.230 nan 0.000 0.473 1060 H N 1.068 119.975 119.070 -0.272 0.000 2.518 1060 H HA -0.040 4.516 4.556 0.000 0.000 0.289 1060 H C 0.479 175.582 175.328 -0.375 0.000 1.051 1060 H CA 1.754 57.609 56.048 -0.321 0.000 1.280 1060 H CB 0.210 29.727 29.762 -0.408 0.000 1.380 1060 H HN 0.841 nan 8.280 nan 0.000 0.566 1061 H N -0.801 118.213 119.070 -0.092 0.000 2.488 1061 H HA 0.288 4.844 4.556 0.000 0.000 0.294 1061 H C -0.680 174.607 175.328 -0.068 0.000 1.088 1061 H CA -0.330 55.669 56.048 -0.082 0.000 1.086 1061 H CB 0.693 30.472 29.762 0.029 0.000 1.569 1061 H HN -0.055 nan 8.280 nan 0.000 0.548 1062 V N 1.524 121.425 119.914 -0.021 0.000 2.525 1062 V HA 0.114 4.234 4.120 0.000 0.000 0.299 1062 V C -0.021 176.107 176.094 0.057 0.000 1.034 1062 V CA -1.095 61.243 62.300 0.064 0.000 0.863 1062 V CB 2.283 34.118 31.823 0.020 0.000 0.999 1062 V HN 0.020 nan 8.190 nan 0.000 0.423 1063 V N 5.418 125.399 119.914 0.112 0.000 2.509 1063 V HA 0.074 4.194 4.120 0.000 0.000 0.297 1063 V C 0.770 176.921 176.094 0.095 0.000 1.014 1063 V CA 0.375 62.722 62.300 0.078 0.000 1.127 1063 V CB 0.089 31.961 31.823 0.082 0.000 0.925 1063 V HN 0.818 nan 8.190 nan 0.000 0.480 1064 R N 3.931 124.459 120.500 0.047 0.000 2.457 1064 R HA 0.550 4.890 4.340 0.000 0.000 0.284 1064 R C -0.601 175.721 176.300 0.036 0.000 1.024 1064 R CA -0.799 55.328 56.100 0.044 0.000 1.025 1064 R CB 1.023 31.346 30.300 0.038 0.000 1.063 1064 R HN 0.698 nan 8.270 nan 0.000 0.493 1065 L N 5.208 126.436 121.223 0.008 0.000 2.276 1065 L HA 0.218 4.558 4.340 0.000 0.000 0.286 1065 L C 0.290 177.211 176.870 0.085 0.000 1.061 1065 L CA -0.136 54.694 54.840 -0.016 0.000 0.807 1065 L CB 1.019 42.980 42.059 -0.163 0.000 1.177 1065 L HN 0.795 nan 8.230 nan 0.000 0.429 1066 L N 4.630 125.914 121.223 0.101 0.000 2.316 1066 L HA 0.477 4.817 4.340 0.000 0.000 0.207 1066 L C 0.940 177.938 176.870 0.212 0.000 1.070 1066 L CA 0.499 55.427 54.840 0.147 0.000 0.820 1066 L CB 0.014 42.126 42.059 0.087 0.000 0.992 1066 L HN 0.784 nan 8.230 nan 0.000 0.466 1067 G N -1.000 107.907 108.800 0.179 0.000 2.430 1067 G HA2 0.415 4.375 3.960 0.000 0.000 0.300 1067 G HA3 0.415 4.375 3.960 0.000 0.000 0.300 1067 G C -2.176 172.795 174.900 0.118 0.000 1.330 1067 G CA -0.085 45.140 45.100 0.208 0.000 0.813 1067 G HN -0.249 nan 8.290 nan 0.000 0.487 1068 V N -0.321 119.663 119.914 0.116 0.000 2.711 1068 V HA 0.633 4.753 4.120 0.000 0.000 0.304 1068 V C -1.046 175.090 176.094 0.070 0.000 1.097 1068 V CA -0.663 61.677 62.300 0.067 0.000 0.906 1068 V CB 1.748 33.583 31.823 0.020 0.000 1.015 1068 V HN 0.941 nan 8.190 nan 0.000 0.427 1069 V N 7.151 127.103 119.914 0.065 0.000 2.338 1069 V HA 0.253 4.373 4.120 0.000 0.000 0.255 1069 V C 1.459 177.581 176.094 0.047 0.000 1.082 1069 V CA 0.879 63.210 62.300 0.051 0.000 0.951 1069 V CB 0.495 32.344 31.823 0.044 0.000 1.102 1069 V HN 1.126 nan 8.190 nan 0.000 0.489 1070 S N 3.708 119.429 115.700 0.036 0.000 2.421 1070 S HA 0.067 4.537 4.470 0.000 0.000 0.224 1070 S C 0.762 175.365 174.600 0.004 0.000 1.035 1070 S CA 0.011 58.223 58.200 0.021 0.000 0.953 1070 S CB -0.009 63.199 63.200 0.012 0.000 0.810 1070 S HN 0.721 nan 8.310 nan 0.000 0.497 1071 Q N 1.335 121.140 119.800 0.008 0.000 2.294 1071 Q HA 0.613 4.953 4.340 0.000 0.000 0.257 1071 Q C -0.092 175.912 176.000 0.007 0.000 0.955 1071 Q CA 0.141 55.947 55.803 0.005 0.000 0.936 1071 Q CB 1.218 29.964 28.738 0.012 0.000 1.188 1071 Q HN 0.655 nan 8.270 nan 0.000 0.420 1072 G N 1.165 109.966 108.800 0.003 0.000 2.317 1072 G HA2 -0.125 3.835 3.960 0.000 0.000 0.445 1072 G HA3 -0.125 3.835 3.960 0.000 0.000 0.445 1072 G C -0.047 174.850 174.900 -0.005 0.000 1.486 1072 G CA -0.815 44.285 45.100 0.001 0.000 0.991 1072 G HN 0.410 nan 8.290 nan 0.000 0.660 1073 Q N -0.728 119.067 119.800 -0.007 0.000 2.014 1073 Q HA -0.048 4.292 4.340 0.000 0.000 0.207 1073 Q C -1.210 174.779 176.000 -0.018 0.000 0.993 1073 Q CA 1.907 57.703 55.803 -0.011 0.000 0.850 1073 Q CB -1.286 27.446 28.738 -0.011 0.000 0.916 1073 Q HN 0.520 nan 8.270 nan 0.000 0.417 1074 P HA 0.202 nan 4.420 nan 0.000 0.297 1074 P C -1.116 176.173 177.300 -0.018 0.000 1.331 1074 P CA -0.090 62.993 63.100 -0.028 0.000 0.803 1074 P CB 1.219 32.904 31.700 -0.025 0.000 0.929 1075 T N 4.122 118.659 114.554 -0.029 0.000 2.870 1075 T HA 0.281 4.631 4.350 0.000 0.000 0.300 1075 T C 0.359 175.102 174.700 0.072 0.000 0.989 1075 T CA -0.006 62.108 62.100 0.023 0.000 1.139 1075 T CB 0.020 68.912 68.868 0.041 0.000 0.920 1075 T HN 0.179 nan 8.240 nan 0.000 0.537 1076 L N 2.896 124.189 121.223 0.115 0.000 2.334 1076 L HA 0.728 5.068 4.340 0.000 0.000 0.273 1076 L C -0.528 176.456 176.870 0.189 0.000 1.013 1076 L CA -1.195 53.733 54.840 0.148 0.000 0.816 1076 L CB 1.883 43.995 42.059 0.088 0.000 1.278 1076 L HN 0.325 nan 8.230 nan 0.000 0.431 1077 V N 3.488 123.533 119.914 0.218 0.000 2.482 1077 V HA 0.375 4.495 4.120 0.000 0.000 0.295 1077 V C -0.352 175.796 176.094 0.089 0.000 1.026 1077 V CA -0.370 61.992 62.300 0.102 0.000 0.856 1077 V CB 2.124 33.938 31.823 -0.015 0.000 1.001 1077 V HN 0.445 nan 8.190 nan 0.000 0.424 1078 I N 6.709 127.316 120.570 0.061 0.000 2.325 1078 I HA 0.426 4.596 4.170 0.000 0.000 0.291 1078 I C 0.196 176.344 176.117 0.051 0.000 1.019 1078 I CA 0.398 61.737 61.300 0.065 0.000 1.302 1078 I CB 1.006 39.045 38.000 0.065 0.000 1.401 1078 I HN 0.393 nan 8.210 nan 0.000 0.485 1079 M N 4.498 124.130 119.600 0.054 0.000 2.664 1079 M HA 0.368 4.848 4.480 0.000 0.000 0.314 1079 M C 0.007 176.332 176.300 0.042 0.000 1.200 1079 M CA -0.793 54.534 55.300 0.044 0.000 0.916 1079 M CB 1.487 34.116 32.600 0.049 0.000 1.717 1079 M HN 0.507 nan 8.290 nan 0.000 0.470 1080 E N 1.479 121.701 120.200 0.035 0.000 2.414 1080 E HA 0.142 4.493 4.350 0.000 0.000 0.263 1080 E C -1.338 175.272 176.600 0.017 0.000 1.000 1080 E CA -0.340 56.074 56.400 0.024 0.000 0.914 1080 E CB 0.764 30.473 29.700 0.014 0.000 0.948 1080 E HN 0.468 nan 8.360 nan 0.000 0.444 1081 L N 5.506 126.736 121.223 0.011 0.000 2.290 1081 L HA 0.240 4.580 4.340 0.000 0.000 0.284 1081 L C -0.807 176.052 176.870 -0.017 0.000 1.078 1081 L CA -0.023 54.819 54.840 0.004 0.000 0.815 1081 L CB 1.088 43.152 42.059 0.008 0.000 1.162 1081 L HN 0.605 nan 8.230 nan 0.000 0.435 1082 M N 4.831 124.417 119.600 -0.023 0.000 2.036 1082 M HA 0.224 4.704 4.480 0.000 0.000 0.337 1082 M C 1.132 177.399 176.300 -0.056 0.000 1.012 1082 M CA -0.299 54.972 55.300 -0.050 0.000 0.962 1082 M CB 0.704 33.275 32.600 -0.048 0.000 1.423 1082 M HN 0.747 nan 8.290 nan 0.000 0.405 1083 T N -0.601 113.908 114.554 -0.075 0.000 3.035 1083 T HA 0.001 4.351 4.350 0.000 0.000 0.268 1083 T C 1.264 175.924 174.700 -0.068 0.000 1.109 1083 T CA 0.877 62.938 62.100 -0.066 0.000 1.119 1083 T CB -0.013 68.810 68.868 -0.076 0.000 0.900 1083 T HN 0.641 nan 8.240 nan 0.000 0.503 1084 R N 1.009 121.447 120.500 -0.103 0.000 2.427 1084 R HA 0.467 4.807 4.340 0.000 0.000 0.262 1084 R C 1.467 177.764 176.300 -0.006 0.000 0.943 1084 R CA 0.111 56.173 56.100 -0.064 0.000 1.081 1084 R CB 0.195 30.386 30.300 -0.182 0.000 1.166 1084 R HN 0.519 nan 8.270 nan 0.000 0.534 1085 G N 2.358 111.145 108.800 -0.020 0.000 2.645 1085 G HA2 -0.301 3.659 3.960 0.000 0.000 0.239 1085 G HA3 -0.301 3.659 3.960 0.000 0.000 0.239 1085 G C -0.668 174.235 174.900 0.006 0.000 1.331 1085 G CA -0.140 44.962 45.100 0.005 0.000 0.890 1085 G HN 0.484 nan 8.290 nan 0.000 0.572 1086 D N 0.155 120.570 120.400 0.024 0.000 2.372 1086 D HA 0.238 4.878 4.640 0.000 0.000 0.243 1086 D C 1.681 178.024 176.300 0.071 0.000 1.121 1086 D CA -0.161 53.854 54.000 0.025 0.000 0.898 1086 D CB 1.473 42.282 40.800 0.015 0.000 1.202 1086 D HN 0.562 nan 8.370 nan 0.000 0.428 1087 L N 2.113 123.373 121.223 0.061 0.000 2.079 1087 L HA -0.187 4.153 4.340 0.000 0.000 0.210 1087 L C 2.464 179.436 176.870 0.170 0.000 1.081 1087 L CA 1.902 56.816 54.840 0.122 0.000 0.752 1087 L CB -0.830 41.279 42.059 0.082 0.000 0.896 1087 L HN 0.637 nan 8.230 nan 0.000 0.433 1088 K N -1.157 119.310 120.400 0.113 0.000 1.985 1088 K HA -0.167 4.153 4.320 0.000 0.000 0.210 1088 K C 2.107 178.769 176.600 0.104 0.000 1.047 1088 K CA 1.841 58.195 56.287 0.111 0.000 0.932 1088 K CB -0.215 32.337 32.500 0.087 0.000 0.716 1088 K HN 0.345 nan 8.250 nan 0.000 0.439 1089 S N 0.004 115.760 115.700 0.094 0.000 2.359 1089 S HA -0.202 4.268 4.470 0.000 0.000 0.224 1089 S C 1.674 176.336 174.600 0.102 0.000 1.035 1089 S CA 1.522 59.770 58.200 0.081 0.000 1.018 1089 S CB -0.563 62.678 63.200 0.069 0.000 0.876 1089 S HN 0.482 nan 8.310 nan 0.000 0.448 1090 Y N 2.048 122.367 120.300 0.030 0.000 2.207 1090 Y HA -0.103 4.447 4.550 0.000 0.000 0.287 1090 Y C 1.853 177.780 175.900 0.045 0.000 1.156 1090 Y CA 1.280 59.406 58.100 0.043 0.000 1.182 1090 Y CB -0.371 38.122 38.460 0.055 0.000 0.979 1090 Y HN 0.149 nan 8.280 nan 0.000 0.521 1091 L N -0.077 121.169 121.223 0.038 0.000 2.093 1091 L HA -0.186 4.154 4.340 0.000 0.000 0.208 1091 L C 2.528 179.334 176.870 -0.107 0.000 1.085 1091 L CA 1.371 56.176 54.840 -0.059 0.000 0.755 1091 L CB -0.423 41.674 42.059 0.063 0.000 0.904 1091 L HN 0.187 nan 8.230 nan 0.000 0.435 1092 R N -0.408 120.061 120.500 -0.052 0.000 2.148 1092 R HA -0.093 4.247 4.340 0.000 0.000 0.223 1092 R C 2.442 178.695 176.300 -0.079 0.000 1.088 1092 R CA 1.395 57.466 56.100 -0.048 0.000 0.985 1092 R CB -0.359 29.937 30.300 -0.008 0.000 0.880 1092 R HN 0.416 nan 8.270 nan 0.000 0.451 1093 S N 0.811 116.443 115.700 -0.114 0.000 2.481 1093 S HA 0.008 4.478 4.470 0.000 0.000 0.231 1093 S C 1.882 176.390 174.600 -0.154 0.000 0.996 1093 S CA 0.509 58.640 58.200 -0.115 0.000 0.942 1093 S CB -0.151 62.987 63.200 -0.103 0.000 0.768 1093 S HN 0.241 nan 8.310 nan 0.000 0.520 1094 L N 0.480 121.571 121.223 -0.220 0.000 2.478 1094 L HA 0.167 4.507 4.340 0.000 0.000 0.223 1094 L C 1.436 178.233 176.870 -0.122 0.000 1.140 1094 L CA 0.170 54.890 54.840 -0.200 0.000 0.842 1094 L CB -0.254 41.652 42.059 -0.255 0.000 0.953 1094 L HN 0.205 nan 8.230 nan 0.000 0.452 1095 R N 0.555 120.994 120.500 -0.101 0.000 2.707 1095 R HA 0.254 4.594 4.340 0.000 0.000 0.270 1095 R C -1.978 174.286 176.300 -0.059 0.000 1.083 1095 R CA -1.294 54.761 56.100 -0.075 0.000 1.182 1095 R CB -0.276 29.986 30.300 -0.064 0.000 1.084 1095 R HN -0.050 nan 8.270 nan 0.000 0.528 1105 A N 2.551 125.337 122.820 -0.057 0.000 2.454 1105 A HA 1.039 5.359 4.320 0.000 0.000 0.302 1105 A C -2.792 174.739 177.584 -0.088 0.000 1.079 1105 A CA -1.674 50.322 52.037 -0.069 0.000 0.731 1105 A CB 1.359 20.326 19.000 -0.056 0.000 1.299 1105 A HN 0.277 nan 8.150 nan 0.000 0.413 1106 P HA 0.170 nan 4.420 nan 0.000 0.263 1106 P C -2.383 174.875 177.300 -0.069 0.000 1.168 1106 P CA 0.028 63.077 63.100 -0.084 0.000 0.759 1106 P CB -0.380 31.274 31.700 -0.076 0.000 0.782 1107 P HA 0.051 nan 4.420 nan 0.000 0.268 1107 P C -0.030 177.242 177.300 -0.048 0.000 1.205 1107 P CA -0.039 63.037 63.100 -0.040 0.000 0.771 1107 P CB 0.356 32.050 31.700 -0.010 0.000 0.858 1108 S N 2.110 117.781 115.700 -0.048 0.000 2.655 1108 S HA 0.137 4.607 4.470 0.000 0.000 0.265 1108 S C 1.086 175.663 174.600 -0.039 0.000 1.240 1108 S CA -0.603 57.570 58.200 -0.044 0.000 0.986 1108 S CB 0.134 63.307 63.200 -0.044 0.000 0.985 1108 S HN 0.333 nan 8.310 nan 0.000 0.562 1109 L N 1.487 122.688 121.223 -0.036 0.000 2.042 1109 L HA -0.072 4.268 4.340 0.000 0.000 0.210 1109 L C 2.470 179.321 176.870 -0.031 0.000 1.076 1109 L CA 2.569 57.389 54.840 -0.033 0.000 0.749 1109 L CB -1.466 40.575 42.059 -0.031 0.000 0.893 1109 L HN 0.938 nan 8.230 nan 0.000 0.432 1110 S N -1.963 113.718 115.700 -0.031 0.000 2.515 1110 S HA -0.092 4.378 4.470 0.000 0.000 0.231 1110 S C 1.845 176.428 174.600 -0.029 0.000 0.987 1110 S CA 0.605 58.786 58.200 -0.031 0.000 0.936 1110 S CB -0.406 62.778 63.200 -0.028 0.000 0.766 1110 S HN 0.517 nan 8.310 nan 0.000 0.528 1111 K N 0.593 120.976 120.400 -0.028 0.000 2.211 1111 K HA 0.279 4.599 4.320 0.000 0.000 0.201 1111 K C 2.011 178.608 176.600 -0.005 0.000 1.052 1111 K CA 0.662 56.937 56.287 -0.020 0.000 0.973 1111 K CB -0.186 32.294 32.500 -0.034 0.000 0.766 1111 K HN 0.372 nan 8.250 nan 0.000 0.466 1112 M N 0.594 120.186 119.600 -0.013 0.000 2.254 1112 M HA -0.098 4.382 4.480 0.000 0.000 0.265 1112 M C 1.722 178.012 176.300 -0.017 0.000 1.066 1112 M CA 1.027 56.319 55.300 -0.012 0.000 1.123 1112 M CB -0.046 32.537 32.600 -0.027 0.000 1.388 1112 M HN 0.059 nan 8.290 nan 0.000 0.425 1113 I N 0.051 120.605 120.570 -0.026 0.000 2.286 1113 I HA -0.220 3.950 4.170 0.000 0.000 0.245 1113 I C 2.418 178.505 176.117 -0.051 0.000 1.104 1113 I CA 1.469 62.747 61.300 -0.037 0.000 1.397 1113 I CB -1.402 36.568 38.000 -0.050 0.000 1.072 1113 I HN 0.310 nan 8.210 nan 0.000 0.417 1114 Q N 1.026 120.800 119.800 -0.043 0.000 2.084 1114 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 1114 Q C 2.295 178.288 176.000 -0.012 0.000 0.978 1114 Q CA 1.812 57.589 55.803 -0.042 0.000 0.844 1114 Q CB -0.229 28.509 28.738 -0.000 0.000 0.898 1114 Q HN 0.409 nan 8.270 nan 0.000 0.426 1115 M N -0.835 118.774 119.600 0.016 0.000 2.117 1115 M HA -0.158 4.322 4.480 0.000 0.000 0.262 1115 M C 2.132 178.461 176.300 0.048 0.000 1.065 1115 M CA 1.589 56.912 55.300 0.037 0.000 1.114 1115 M CB -0.361 32.267 32.600 0.047 0.000 1.361 1115 M HN 0.358 nan 8.290 nan 0.000 0.408 1116 A N 0.273 123.123 122.820 0.049 0.000 1.898 1116 A HA -0.010 4.310 4.320 0.000 0.000 0.216 1116 A C 2.325 180.034 177.584 0.208 0.000 1.181 1116 A CA 1.778 53.905 52.037 0.151 0.000 0.620 1116 A CB -1.413 17.652 19.000 0.109 0.000 0.819 1116 A HN 0.540 nan 8.150 nan 0.000 0.442 1117 G N -0.385 108.425 108.800 0.017 0.000 2.418 1117 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 1117 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 1117 G C 1.417 176.272 174.900 -0.076 0.000 1.158 1117 G CA 1.002 46.038 45.100 -0.108 0.000 0.771 1117 G HN 0.638 nan 8.290 nan 0.000 0.545 1118 E N 0.037 120.173 120.200 -0.107 0.000 2.077 1118 E HA -0.071 4.279 4.350 0.000 0.000 0.193 1118 E C 2.492 178.976 176.600 -0.192 0.000 0.989 1118 E CA 0.745 56.959 56.400 -0.309 0.000 0.800 1118 E CB -0.150 29.467 29.700 -0.138 0.000 0.746 1118 E HN 0.504 nan 8.360 nan 0.000 0.452 1119 I N 0.959 121.537 120.570 0.013 0.000 2.252 1119 I HA -0.230 3.940 4.170 0.000 0.000 0.245 1119 I C 2.524 178.635 176.117 -0.010 0.000 1.102 1119 I CA 0.840 62.188 61.300 0.080 0.000 1.385 1119 I CB -0.302 37.844 38.000 0.244 0.000 1.064 1119 I HN 0.080 nan 8.210 nan 0.000 0.414 1120 A N 0.501 123.322 122.820 0.002 0.000 1.902 1120 A HA -0.297 4.023 4.320 0.000 0.000 0.217 1120 A C 1.986 179.477 177.584 -0.156 0.000 1.181 1120 A CA 2.313 54.202 52.037 -0.247 0.000 0.623 1120 A CB -0.769 18.136 19.000 -0.158 0.000 0.818 1120 A HN 0.447 nan 8.150 nan 0.000 0.443 1121 D N -0.811 119.592 120.400 0.006 0.000 2.123 1121 D HA -0.057 4.583 4.640 0.000 0.000 0.196 1121 D C 1.976 178.347 176.300 0.117 0.000 0.992 1121 D CA 1.680 55.781 54.000 0.170 0.000 0.833 1121 D CB -0.346 40.601 40.800 0.245 0.000 0.954 1121 D HN 0.322 nan 8.370 nan 0.000 0.455 1122 G N -0.022 108.793 108.800 0.025 0.000 2.418 1122 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 1122 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 1122 G C 1.508 176.345 174.900 -0.104 0.000 1.158 1122 G CA 0.808 45.918 45.100 0.017 0.000 0.771 1122 G HN 0.159 nan 8.290 nan 0.000 0.545 1123 M N 1.296 120.688 119.600 -0.345 0.000 2.086 1123 M HA 0.062 4.542 4.480 0.000 0.000 0.261 1123 M C 3.054 179.073 176.300 -0.469 0.000 1.067 1123 M CA 1.255 56.176 55.300 -0.633 0.000 1.116 1123 M CB -1.456 30.149 32.600 -1.658 0.000 1.348 1123 M HN 0.308 nan 8.290 nan 0.000 0.407 1124 A N -0.606 122.015 122.820 -0.331 0.000 1.948 1124 A HA -0.247 4.073 4.320 0.000 0.000 0.220 1124 A C 2.183 179.599 177.584 -0.280 0.000 1.177 1124 A CA 1.817 53.850 52.037 -0.007 0.000 0.636 1124 A CB -1.261 17.915 19.000 0.293 0.000 0.815 1124 A HN 0.559 nan 8.150 nan 0.000 0.449 1125 Y N 0.262 120.178 120.300 -0.640 0.000 2.145 1125 Y HA -0.149 4.401 4.550 0.000 0.000 0.286 1125 Y C 1.956 177.525 175.900 -0.551 0.000 1.145 1125 Y CA 1.900 59.368 58.100 -1.052 0.000 1.148 1125 Y CB -0.318 37.738 38.460 -0.673 0.000 0.981 1125 Y HN 0.215 nan 8.280 nan 0.000 0.507 1126 L N 0.372 121.382 121.223 -0.355 0.000 2.017 1126 L HA -0.267 4.073 4.340 0.000 0.000 0.208 1126 L C 2.132 178.911 176.870 -0.152 0.000 1.073 1126 L CA 2.062 56.708 54.840 -0.323 0.000 0.745 1126 L CB -0.697 41.260 42.059 -0.170 0.000 0.894 1126 L HN 0.341 nan 8.230 nan 0.000 0.432 1127 N N -0.368 118.276 118.700 -0.093 0.000 2.244 1127 N HA -0.145 4.595 4.740 0.000 0.000 0.183 1127 N C 1.855 177.340 175.510 -0.042 0.000 1.016 1127 N CA 0.873 53.926 53.050 0.005 0.000 0.866 1127 N CB -0.116 38.441 38.487 0.117 0.000 0.980 1127 N HN 0.316 nan 8.380 nan 0.000 0.430 1128 A N 1.237 123.979 122.820 -0.130 0.000 2.015 1128 A HA -0.050 4.270 4.320 0.000 0.000 0.219 1128 A C 1.551 179.061 177.584 -0.123 0.000 1.163 1128 A CA 1.008 52.990 52.037 -0.090 0.000 0.646 1128 A CB -0.104 18.847 19.000 -0.081 0.000 0.806 1128 A HN 0.266 nan 8.150 nan 0.000 0.448 1129 N N 0.211 118.781 118.700 -0.217 0.000 2.322 1129 N HA 0.014 4.754 4.740 0.000 0.000 0.216 1129 N C -0.522 174.976 175.510 -0.020 0.000 1.144 1129 N CA 0.079 53.073 53.050 -0.093 0.000 0.830 1129 N CB 0.248 38.664 38.487 -0.119 0.000 1.034 1129 N HN 0.119 nan 8.380 nan 0.000 0.484 1130 K N 0.123 120.481 120.400 -0.071 0.000 3.096 1130 K HA -0.178 4.142 4.320 0.000 0.000 0.266 1130 K C -0.918 175.523 176.600 -0.265 0.000 1.043 1130 K CA 0.744 56.945 56.287 -0.144 0.000 0.758 1130 K CB -2.055 30.335 32.500 -0.184 0.000 1.260 1130 K HN 0.227 nan 8.250 nan 0.000 0.481 1131 F N -1.099 118.820 119.950 -0.051 0.000 2.508 1131 F HA 0.461 4.988 4.527 0.000 0.000 0.325 1131 F C 0.490 176.299 175.800 0.015 0.000 1.090 1131 F CA -1.004 56.989 58.000 -0.011 0.000 0.945 1131 F CB 1.842 40.831 39.000 -0.018 0.000 1.156 1131 F HN -0.168 nan 8.300 nan 0.000 0.463 1132 V N 4.201 124.261 119.914 0.243 0.000 2.435 1132 V HA 0.223 4.343 4.120 0.000 0.000 0.290 1132 V C 0.505 176.740 176.094 0.236 0.000 1.030 1132 V CA -0.155 62.274 62.300 0.214 0.000 0.881 1132 V CB 1.161 33.083 31.823 0.164 0.000 0.983 1132 V HN 0.918 nan 8.190 nan 0.000 0.445 1133 H N 6.038 125.207 119.070 0.165 0.000 2.372 1133 H HA 0.077 4.633 4.556 0.000 0.000 0.301 1133 H C 1.549 176.920 175.328 0.073 0.000 1.065 1133 H CA 1.908 58.038 56.048 0.135 0.000 1.364 1133 H CB 0.371 30.191 29.762 0.096 0.000 1.406 1133 H HN 0.841 nan 8.280 nan 0.000 0.521 1134 R N -0.712 119.963 120.500 0.291 0.000 3.977 1134 R HA -0.184 4.156 4.340 0.000 0.000 0.428 1134 R C -0.292 176.143 176.300 0.224 0.000 1.079 1134 R CA 1.305 57.498 56.100 0.153 0.000 1.269 1134 R CB -1.465 28.684 30.300 -0.252 0.000 1.856 1134 R HN 0.317 nan 8.270 nan 0.000 0.551 1135 D N 0.139 120.812 120.400 0.455 0.000 2.785 1135 D HA 0.131 4.771 4.640 0.000 0.000 0.324 1135 D C -0.914 175.488 176.300 0.169 0.000 1.523 1135 D CA -0.401 53.776 54.000 0.295 0.000 0.789 1135 D CB 0.334 41.231 40.800 0.161 0.000 1.171 1135 D HN -0.006 nan 8.370 nan 0.000 0.447 1136 L N 1.759 123.025 121.223 0.072 0.000 2.477 1136 L HA 0.547 4.887 4.340 0.000 0.000 0.272 1136 L C -0.329 176.567 176.870 0.043 0.000 1.157 1136 L CA 0.286 55.064 54.840 -0.103 0.000 0.889 1136 L CB 0.038 42.129 42.059 0.053 0.000 1.158 1136 L HN 0.181 nan 8.230 nan 0.000 0.473 1137 A N 3.935 126.712 122.820 -0.072 0.000 2.586 1137 A HA 0.692 5.012 4.320 0.000 0.000 0.291 1137 A C 0.442 178.000 177.584 -0.042 0.000 1.062 1137 A CA -0.143 51.834 52.037 -0.099 0.000 0.666 1137 A CB 0.260 18.825 19.000 -0.726 0.000 1.281 1137 A HN 0.957 nan 8.150 nan 0.000 0.421 1138 A N 0.578 123.444 122.820 0.077 0.000 1.972 1138 A HA -0.114 4.206 4.320 0.000 0.000 0.219 1138 A C 1.934 179.525 177.584 0.013 0.000 1.169 1138 A CA 1.914 53.999 52.037 0.079 0.000 0.635 1138 A CB -0.571 18.525 19.000 0.161 0.000 0.810 1138 A HN 1.065 nan 8.150 nan 0.000 0.446 1139 R N -0.807 119.665 120.500 -0.047 0.000 2.237 1139 R HA -0.022 4.318 4.340 0.000 0.000 0.219 1139 R C 0.300 176.555 176.300 -0.075 0.000 1.080 1139 R CA 1.489 57.553 56.100 -0.061 0.000 0.995 1139 R CB -0.431 29.803 30.300 -0.110 0.000 0.875 1139 R HN 0.331 nan 8.270 nan 0.000 0.462 1140 N N 0.054 118.693 118.700 -0.102 0.000 2.270 1140 N HA 0.104 4.844 4.740 0.000 0.000 0.198 1140 N C -0.606 174.839 175.510 -0.108 0.000 1.117 1140 N CA -0.014 52.972 53.050 -0.108 0.000 0.845 1140 N CB 0.409 38.823 38.487 -0.122 0.000 0.980 1140 N HN 0.153 nan 8.380 nan 0.000 0.486 1141 C N 0.872 120.131 119.300 -0.068 0.000 2.399 1141 C HA 0.600 5.060 4.460 0.000 0.000 0.348 1141 C C 0.117 175.089 174.990 -0.029 0.000 1.183 1141 C CA -0.795 58.194 59.018 -0.049 0.000 2.023 1141 C CB 1.315 29.043 27.740 -0.020 0.000 2.361 1141 C HN 0.184 nan 8.230 nan 0.000 0.521 1142 M N 1.901 121.483 119.600 -0.030 0.000 2.530 1142 M HA 0.493 4.973 4.480 0.000 0.000 0.307 1142 M C -1.060 175.198 176.300 -0.070 0.000 1.161 1142 M CA -0.438 54.838 55.300 -0.040 0.000 0.903 1142 M CB 1.738 34.319 32.600 -0.031 0.000 1.711 1142 M HN 0.319 nan 8.290 nan 0.000 0.451 1143 V N 1.883 121.724 119.914 -0.122 0.000 2.384 1143 V HA 0.664 4.784 4.120 0.000 0.000 0.287 1143 V C 0.477 176.449 176.094 -0.202 0.000 1.020 1143 V CA -0.825 61.348 62.300 -0.212 0.000 0.850 1143 V CB 1.103 32.649 31.823 -0.461 0.000 0.987 1143 V HN 1.022 nan 8.190 nan 0.000 0.436 1144 A N 3.116 125.834 122.820 -0.170 0.000 2.267 1144 A HA 0.465 4.785 4.320 0.000 0.000 0.271 1144 A C 1.335 178.765 177.584 -0.257 0.000 1.131 1144 A CA 0.126 52.068 52.037 -0.158 0.000 0.818 1144 A CB 0.219 19.159 19.000 -0.099 0.000 1.118 1144 A HN 0.916 nan 8.150 nan 0.000 0.501 1145 E N -0.010 120.067 120.200 -0.206 0.000 2.085 1145 E HA -0.216 4.134 4.350 0.000 0.000 0.194 1145 E C 0.911 177.296 176.600 -0.358 0.000 0.994 1145 E CA 2.043 58.284 56.400 -0.264 0.000 0.801 1145 E CB -0.134 29.486 29.700 -0.133 0.000 0.743 1145 E HN 0.713 nan 8.360 nan 0.000 0.453 1146 D N -1.350 118.954 120.400 -0.160 0.000 2.319 1146 D HA -0.079 4.561 4.640 0.000 0.000 0.230 1146 D C -0.024 176.382 176.300 0.178 0.000 1.094 1146 D CA -0.090 53.921 54.000 0.018 0.000 0.856 1146 D CB -0.520 40.335 40.800 0.091 0.000 0.915 1146 D HN 0.327 nan 8.370 nan 0.000 0.517 1147 F N -1.317 118.613 119.950 -0.033 0.000 2.656 1147 F HA -0.246 4.281 4.527 0.000 0.000 0.381 1147 F C 0.484 176.247 175.800 -0.062 0.000 0.603 1147 F CA 0.719 58.669 58.000 -0.084 0.000 1.335 1147 F CB -2.569 36.414 39.000 -0.029 0.000 1.836 1147 F HN -0.124 nan 8.300 nan 0.000 0.290 1148 T N 2.198 116.814 114.554 0.104 0.000 2.908 1148 T HA 0.372 4.722 4.350 0.000 0.000 0.301 1148 T C 0.498 175.224 174.700 0.044 0.000 1.019 1148 T CA -0.037 62.127 62.100 0.108 0.000 1.152 1148 T CB 0.995 69.922 68.868 0.098 0.000 0.966 1148 T HN 0.070 nan 8.240 nan 0.000 0.540 1149 V N 5.259 125.218 119.914 0.076 0.000 2.439 1149 V HA 0.429 4.549 4.120 0.000 0.000 0.282 1149 V C 0.288 176.429 176.094 0.078 0.000 1.039 1149 V CA -0.529 61.794 62.300 0.039 0.000 0.913 1149 V CB 1.112 32.957 31.823 0.036 0.000 0.983 1149 V HN 0.754 nan 8.190 nan 0.000 0.460 1150 K N 4.051 124.472 120.400 0.035 0.000 2.385 1150 K HA 0.661 4.981 4.320 0.000 0.000 0.248 1150 K C -1.109 175.504 176.600 0.022 0.000 0.955 1150 K CA -0.855 55.462 56.287 0.050 0.000 0.816 1150 K CB 2.765 35.268 32.500 0.004 0.000 1.250 1150 K HN 0.458 nan 8.250 nan 0.000 0.434 1151 I N 0.871 121.463 120.570 0.035 0.000 2.474 1151 I HA 0.213 4.383 4.170 0.000 0.000 0.287 1151 I C 0.885 176.992 176.117 -0.017 0.000 1.048 1151 I CA 0.353 61.633 61.300 -0.033 0.000 1.383 1151 I CB 1.044 39.029 38.000 -0.024 0.000 1.412 1151 I HN 0.899 nan 8.210 nan 0.000 0.531 1152 G N 4.351 113.055 108.800 -0.160 0.000 5.253 1152 G HA2 0.129 4.089 3.960 0.000 0.000 0.238 1152 G HA3 0.129 4.089 3.960 0.000 0.000 0.238 1152 G C -0.835 173.983 174.900 -0.137 0.000 0.867 1152 G CA -0.116 44.940 45.100 -0.074 0.000 0.717 1152 G HN 0.584 nan 8.290 nan 0.000 0.405 1153 D N -0.070 120.099 120.400 -0.384 0.000 2.591 1153 D HA 0.244 4.884 4.640 0.000 0.000 0.222 1153 D C -0.912 175.141 176.300 -0.413 0.000 1.360 1153 D CA -0.446 53.417 54.000 -0.229 0.000 0.967 1153 D CB 1.080 41.817 40.800 -0.105 0.000 1.456 1153 D HN -0.027 nan 8.370 nan 0.000 0.588 1154 F N 1.182 121.119 119.950 -0.021 0.000 2.735 1154 F HA 0.303 4.830 4.527 0.000 0.000 0.304 1154 F C 2.079 177.804 175.800 -0.125 0.000 1.119 1154 F CA -0.444 57.468 58.000 -0.147 0.000 1.280 1154 F CB 1.326 40.324 39.000 -0.004 0.000 0.994 1154 F HN 0.488 nan 8.300 nan 0.000 0.520 1155 G N -0.174 108.641 108.800 0.026 0.000 2.708 1155 G HA2 -0.154 3.807 3.960 0.000 0.000 0.210 1155 G HA3 -0.154 3.807 3.960 0.000 0.000 0.210 1155 G C 1.238 176.130 174.900 -0.014 0.000 1.141 1155 G CA 0.587 45.711 45.100 0.039 0.000 0.788 1155 G HN 0.307 nan 8.290 nan 0.000 0.531 1156 M N 0.179 119.728 119.600 -0.084 0.000 2.289 1156 M HA 0.291 4.771 4.480 0.000 0.000 0.335 1156 M C 0.512 176.742 176.300 -0.116 0.000 0.961 1156 M CA 0.048 55.283 55.300 -0.107 0.000 1.018 1156 M CB 0.829 33.353 32.600 -0.128 0.000 1.678 1156 M HN -0.134 nan 8.290 nan 0.000 0.589 1157 T N 2.264 116.772 114.554 -0.077 0.000 2.919 1157 T HA 0.362 4.712 4.350 0.000 0.000 0.302 1157 T C 0.043 174.815 174.700 0.121 0.000 1.031 1157 T CA -0.131 61.984 62.100 0.025 0.000 1.127 1157 T CB 0.534 69.478 68.868 0.126 0.000 0.952 1157 T HN 0.076 nan 8.240 nan 0.000 0.540 1158 R N 1.999 122.600 120.500 0.169 0.000 2.621 1158 R HA 0.351 4.691 4.340 0.000 0.000 0.292 1158 R C -0.702 175.683 176.300 0.141 0.000 0.969 1158 R CA -1.040 55.140 56.100 0.133 0.000 0.887 1158 R CB 1.557 31.873 30.300 0.028 0.000 1.180 1158 R HN 0.707 nan 8.270 nan 0.000 0.450 1159 D N 1.711 122.112 120.400 0.003 0.000 2.414 1159 D HA 0.201 4.841 4.640 0.000 0.000 0.242 1159 D C -0.030 176.130 176.300 -0.233 0.000 1.129 1159 D CA 0.182 53.970 54.000 -0.354 0.000 0.885 1159 D CB 0.646 41.268 40.800 -0.297 0.000 1.198 1159 D HN 0.168 nan 8.370 nan 0.000 0.437 1163 T N 1.318 115.854 114.554 -0.031 0.000 5.068 1163 T HA -0.051 4.299 4.350 0.000 0.000 0.272 1163 T C -0.674 174.014 174.700 -0.020 0.000 2.125 1163 T CA 0.241 62.329 62.100 -0.020 0.000 3.481 1163 T CB -0.505 68.354 68.868 -0.016 0.000 0.462 1163 T HN 0.600 nan 8.240 nan 0.000 0.752 1168 K N 2.751 123.283 120.400 0.219 0.000 2.339 1168 K HA 0.280 4.600 4.320 0.000 0.000 0.286 1168 K C 0.885 177.543 176.600 0.097 0.000 1.050 1168 K CA 0.640 57.024 56.287 0.163 0.000 0.956 1168 K CB 1.071 33.712 32.500 0.235 0.000 0.990 1168 K HN 0.701 nan 8.250 nan 0.000 0.475 1169 G N 3.066 111.905 108.800 0.064 0.000 2.434 1169 G HA2 -0.034 3.926 3.960 0.000 0.000 0.214 1169 G HA3 -0.034 3.926 3.960 0.000 0.000 0.214 1169 G C 0.601 175.524 174.900 0.040 0.000 1.202 1169 G CA 0.741 45.868 45.100 0.044 0.000 0.788 1169 G HN 0.764 nan 8.290 nan 0.000 0.539 1170 G N -0.636 108.187 108.800 0.039 0.000 3.286 1170 G HA2 0.445 4.405 3.960 0.000 0.000 0.166 1170 G HA3 0.445 4.405 3.960 0.000 0.000 0.166 1170 G C -0.718 174.205 174.900 0.038 0.000 1.155 1170 G CA -0.337 44.783 45.100 0.033 0.000 0.871 1170 G HN 0.285 nan 8.290 nan 0.000 0.637 1171 K N 0.822 121.240 120.400 0.030 0.000 2.402 1171 K HA 0.487 4.807 4.320 0.000 0.000 0.285 1171 K C 0.317 176.936 176.600 0.033 0.000 1.054 1171 K CA 0.483 56.788 56.287 0.030 0.000 1.001 1171 K CB 0.087 32.599 32.500 0.021 0.000 0.946 1171 K HN 0.573 nan 8.250 nan 0.000 0.473 1172 G N 2.777 111.606 108.800 0.047 0.000 2.537 1172 G HA2 0.561 4.521 3.960 0.000 0.000 0.323 1172 G HA3 0.561 4.521 3.960 0.000 0.000 0.323 1172 G C -0.786 174.140 174.900 0.042 0.000 1.207 1172 G CA -0.877 44.249 45.100 0.044 0.000 0.976 1172 G HN 0.637 nan 8.290 nan 0.000 0.487 1173 L N -1.383 119.858 121.223 0.030 0.000 3.320 1173 L HA 0.517 4.857 4.340 0.000 0.000 0.331 1173 L C -0.341 176.548 176.870 0.033 0.000 1.306 1173 L CA -0.490 54.368 54.840 0.030 0.000 0.892 1173 L CB -0.058 42.007 42.059 0.010 0.000 1.337 1173 L HN 0.206 nan 8.230 nan 0.000 0.604 1174 L N 2.339 123.596 121.223 0.058 0.000 2.426 1174 L HA 0.396 4.736 4.340 0.000 0.000 0.271 1174 L C -1.508 175.434 176.870 0.119 0.000 1.169 1174 L CA -1.490 53.397 54.840 0.078 0.000 0.836 1174 L CB 0.129 42.264 42.059 0.127 0.000 1.112 1174 L HN 0.148 nan 8.230 nan 0.000 0.465 1175 P HA -0.026 nan 4.420 nan 0.000 0.264 1175 P C 0.878 178.361 177.300 0.305 0.000 1.193 1175 P CA -0.251 62.980 63.100 0.218 0.000 0.763 1175 P CB 0.893 32.738 31.700 0.242 0.000 0.810 1176 V N 2.637 122.684 119.914 0.221 0.000 2.490 1176 V HA -0.214 3.906 4.120 0.000 0.000 0.250 1176 V C 2.040 178.229 176.094 0.158 0.000 1.061 1176 V CA 1.342 63.729 62.300 0.145 0.000 1.064 1176 V CB -1.449 30.401 31.823 0.045 0.000 0.670 1176 V HN 0.421 nan 8.190 nan 0.000 0.461 1177 R N -1.008 119.628 120.500 0.227 0.000 2.339 1177 R HA 0.019 4.359 4.340 0.000 0.000 0.199 1177 R C 1.525 177.833 176.300 0.014 0.000 1.018 1177 R CA 1.128 57.253 56.100 0.043 0.000 1.036 1177 R CB -0.193 30.044 30.300 -0.106 0.000 0.899 1177 R HN 0.630 nan 8.270 nan 0.000 0.473 1178 W N -0.375 121.058 121.300 0.221 0.000 2.714 1178 W HA 0.303 4.963 4.660 0.000 0.000 0.353 1178 W C -0.050 176.682 176.519 0.356 0.000 0.999 1178 W CA -0.502 57.023 57.345 0.300 0.000 1.629 1178 W CB 0.412 30.015 29.460 0.239 0.000 1.106 1178 W HN -0.012 nan 8.180 nan 0.000 0.545 1179 M N 1.107 120.935 119.600 0.381 0.000 2.277 1179 M HA 0.129 4.609 4.480 0.000 0.000 0.350 1179 M C 1.097 177.232 176.300 -0.273 0.000 1.180 1179 M CA 0.080 55.476 55.300 0.159 0.000 1.103 1179 M CB 1.438 34.097 32.600 0.099 0.000 1.577 1179 M HN -0.259 nan 8.290 nan 0.000 0.459 1180 S N 2.207 117.595 115.700 -0.521 0.000 2.593 1180 S HA 0.242 4.712 4.470 0.000 0.000 0.269 1180 S C -2.135 171.943 174.600 -0.869 0.000 1.334 1180 S CA -1.068 56.421 58.200 -1.185 0.000 1.015 1180 S CB 0.430 63.265 63.200 -0.608 0.000 0.912 1180 S HN 0.445 nan 8.310 nan 0.000 0.541 1181 P HA -0.169 nan 4.420 nan 0.000 0.215 1181 P C 1.686 178.711 177.300 -0.459 0.000 1.153 1181 P CA 1.471 64.205 63.100 -0.610 0.000 0.853 1181 P CB -0.069 31.239 31.700 -0.652 0.000 0.788 1182 E N -0.439 119.479 120.200 -0.471 0.000 2.107 1182 E HA -0.096 4.254 4.350 0.000 0.000 0.191 1182 E C 1.754 178.140 176.600 -0.356 0.000 0.982 1182 E CA 1.387 57.575 56.400 -0.353 0.000 0.809 1182 E CB -1.252 28.273 29.700 -0.290 0.000 0.756 1182 E HN 0.127 nan 8.360 nan 0.000 0.459 1183 S N 1.454 116.882 115.700 -0.455 0.000 2.368 1183 S HA -0.053 4.417 4.470 0.000 0.000 0.225 1183 S C 2.156 176.534 174.600 -0.370 0.000 1.030 1183 S CA 1.155 58.990 58.200 -0.608 0.000 0.999 1183 S CB -0.305 62.458 63.200 -0.729 0.000 0.844 1183 S HN 0.219 nan 8.310 nan 0.000 0.459 1184 L N 0.760 121.810 121.223 -0.288 0.000 2.141 1184 L HA -0.086 4.254 4.340 0.000 0.000 0.209 1184 L C 2.413 179.194 176.870 -0.147 0.000 1.094 1184 L CA 1.125 55.856 54.840 -0.183 0.000 0.763 1184 L CB -0.334 41.615 42.059 -0.183 0.000 0.908 1184 L HN 0.237 nan 8.230 nan 0.000 0.437 1185 K N -0.116 120.182 120.400 -0.171 0.000 1.995 1185 K HA -0.089 4.231 4.320 0.000 0.000 0.207 1185 K C 1.120 177.655 176.600 -0.107 0.000 1.041 1185 K CA 1.436 57.649 56.287 -0.123 0.000 0.942 1185 K CB 0.024 32.448 32.500 -0.126 0.000 0.731 1185 K HN 0.138 nan 8.250 nan 0.000 0.439 1186 D N -1.598 118.720 120.400 -0.136 0.000 2.407 1186 D HA 0.118 4.758 4.640 0.000 0.000 0.208 1186 D C 0.354 176.593 176.300 -0.102 0.000 1.083 1186 D CA 0.444 54.383 54.000 -0.103 0.000 0.844 1186 D CB 1.142 41.883 40.800 -0.098 0.000 0.967 1186 D HN 0.384 nan 8.370 nan 0.000 0.506 1187 G N 0.798 109.499 108.800 -0.165 0.000 2.221 1187 G HA2 -0.246 3.715 3.960 0.000 0.000 0.265 1187 G HA3 -0.246 3.715 3.960 0.000 0.000 0.265 1187 G C 0.126 174.899 174.900 -0.213 0.000 1.041 1187 G CA 0.246 45.264 45.100 -0.137 0.000 0.807 1187 G HN 0.313 nan 8.290 nan 0.000 0.502 1188 V N 0.025 119.696 119.914 -0.405 0.000 2.472 1188 V HA 0.832 4.952 4.120 0.000 0.000 0.290 1188 V C -0.213 175.549 176.094 -0.553 0.000 1.037 1188 V CA -0.571 61.562 62.300 -0.278 0.000 0.908 1188 V CB 1.321 33.060 31.823 -0.139 0.000 0.985 1188 V HN 0.253 nan 8.190 nan 0.000 0.454 1189 F N 2.986 122.946 119.950 0.017 0.000 2.547 1189 F HA 0.740 5.267 4.527 0.000 0.000 0.316 1189 F C 0.381 176.192 175.800 0.018 0.000 1.121 1189 F CA -0.443 57.579 58.000 0.035 0.000 0.911 1189 F CB 2.340 41.373 39.000 0.056 0.000 1.179 1189 F HN 0.579 nan 8.300 nan 0.000 0.443 1190 T N -3.543 111.110 114.554 0.165 0.000 2.696 1190 T HA 0.284 4.634 4.350 0.000 0.000 0.291 1190 T C 0.876 175.586 174.700 0.016 0.000 1.095 1190 T CA 0.014 62.113 62.100 -0.001 0.000 1.026 1190 T CB 1.176 69.928 68.868 -0.193 0.000 1.390 1190 T HN 0.612 nan 8.240 nan 0.000 0.513 1191 T N -1.295 113.172 114.554 -0.146 0.000 2.881 1191 T HA -0.126 4.224 4.350 0.000 0.000 0.270 1191 T C 1.464 176.205 174.700 0.067 0.000 1.068 1191 T CA 1.221 63.326 62.100 0.008 0.000 1.131 1191 T CB -0.957 67.895 68.868 -0.027 0.000 0.871 1191 T HN 0.589 nan 8.240 nan 0.000 0.479 1192 Y N 3.015 123.371 120.300 0.093 0.000 2.165 1192 Y HA -0.051 4.499 4.550 0.000 0.000 0.286 1192 Y C 3.188 179.173 175.900 0.141 0.000 1.155 1192 Y CA 0.602 58.741 58.100 0.065 0.000 1.164 1192 Y CB -1.212 37.272 38.460 0.039 0.000 0.978 1192 Y HN 0.505 nan 8.280 nan 0.000 0.513 1193 S N -1.022 114.856 115.700 0.297 0.000 2.461 1193 S HA -0.096 4.374 4.470 0.000 0.000 0.228 1193 S C 1.468 176.317 174.600 0.415 0.000 1.005 1193 S CA 0.924 59.309 58.200 0.307 0.000 0.942 1193 S CB -0.276 63.033 63.200 0.181 0.000 0.776 1193 S HN 0.272 nan 8.310 nan 0.000 0.514 1194 D N 1.734 122.372 120.400 0.395 0.000 2.178 1194 D HA -0.008 4.632 4.640 0.000 0.000 0.201 1194 D C 1.956 178.592 176.300 0.560 0.000 0.980 1194 D CA 0.702 54.996 54.000 0.490 0.000 0.842 1194 D CB -0.302 40.815 40.800 0.528 0.000 0.948 1194 D HN 0.327 nan 8.370 nan 0.000 0.472 1195 V N 0.572 120.671 119.914 0.309 0.000 2.379 1195 V HA -0.159 3.961 4.120 0.000 0.000 0.245 1195 V C 2.157 178.478 176.094 0.378 0.000 1.044 1195 V CA 1.037 63.393 62.300 0.094 0.000 1.036 1195 V CB -0.461 31.234 31.823 -0.214 0.000 0.664 1195 V HN 0.401 nan 8.190 nan 0.000 0.453 1196 W N 1.268 122.736 121.300 0.280 0.000 2.318 1196 W HA -0.238 4.422 4.660 -0.000 0.000 0.313 1196 W C 2.388 179.196 176.519 0.482 0.000 1.221 1196 W CA 2.256 59.838 57.345 0.396 0.000 1.266 1196 W CB -0.522 29.119 29.460 0.302 0.000 1.150 1196 W HN 0.327 nan 8.180 nan 0.000 0.496 1197 S N 0.589 116.723 115.700 0.723 0.000 2.383 1197 S HA -0.201 4.269 4.470 0.000 0.000 0.227 1197 S C 1.516 176.431 174.600 0.526 0.000 1.026 1197 S CA 1.395 59.981 58.200 0.644 0.000 0.981 1197 S CB -1.003 62.559 63.200 0.602 0.000 0.818 1197 S HN 0.328 nan 8.310 nan 0.000 0.472 1198 F N 2.779 122.951 119.950 0.369 0.000 2.126 1198 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 1198 F C 2.257 178.177 175.800 0.200 0.000 1.096 1198 F CA 1.300 59.481 58.000 0.301 0.000 1.255 1198 F CB -0.958 38.277 39.000 0.392 0.000 0.997 1198 F HN 0.226 nan 8.300 nan 0.000 0.479 1199 G N -0.230 108.674 108.800 0.173 0.000 2.442 1199 G HA2 -0.221 3.739 3.960 0.000 0.000 0.219 1199 G HA3 -0.221 3.739 3.960 0.000 0.000 0.219 1199 G C 1.679 176.711 174.900 0.221 0.000 1.141 1199 G CA 1.242 46.272 45.100 -0.116 0.000 0.763 1199 G HN 0.365 nan 8.290 nan 0.000 0.554 1200 V N 0.897 121.030 119.914 0.365 0.000 2.453 1200 V HA -0.129 3.991 4.120 0.000 0.000 0.247 1200 V C 3.050 179.326 176.094 0.302 0.000 1.048 1200 V CA 1.520 63.987 62.300 0.279 0.000 1.049 1200 V CB 0.057 31.887 31.823 0.012 0.000 0.672 1200 V HN 0.400 nan 8.190 nan 0.000 0.457 1201 V N -1.378 118.685 119.914 0.247 0.000 2.548 1201 V HA -0.134 3.986 4.120 0.000 0.000 0.249 1201 V C 2.134 178.253 176.094 0.040 0.000 1.055 1201 V CA 1.517 63.934 62.300 0.195 0.000 1.065 1201 V CB -0.509 31.396 31.823 0.137 0.000 0.681 1201 V HN 0.434 nan 8.190 nan 0.000 0.462 1202 L N -1.290 119.856 121.223 -0.128 0.000 1.989 1202 L HA -0.187 4.153 4.340 0.000 0.000 0.211 1202 L C 2.465 179.363 176.870 0.046 0.000 1.071 1202 L CA 2.774 57.528 54.840 -0.144 0.000 0.749 1202 L CB -0.683 41.221 42.059 -0.260 0.000 0.890 1202 L HN 0.605 nan 8.230 nan 0.000 0.431 1203 W N 1.265 122.558 121.300 -0.011 0.000 2.338 1203 W HA -0.231 4.429 4.660 -0.000 0.000 0.304 1203 W C 2.477 179.004 176.519 0.015 0.000 1.212 1203 W CA 1.843 59.217 57.345 0.048 0.000 1.264 1203 W CB -0.050 29.491 29.460 0.136 0.000 1.142 1203 W HN 0.122 nan 8.180 nan 0.000 0.512 1204 E N -0.095 120.287 120.200 0.304 0.000 2.118 1204 E HA -0.255 4.095 4.350 0.000 0.000 0.195 1204 E C 2.069 178.668 176.600 -0.002 0.000 0.992 1204 E CA 1.805 58.309 56.400 0.174 0.000 0.804 1204 E CB -0.465 29.420 29.700 0.309 0.000 0.741 1204 E HN 0.393 nan 8.360 nan 0.000 0.458 1205 I N 0.817 121.387 120.570 0.000 0.000 2.252 1205 I HA -0.220 3.950 4.170 0.000 0.000 0.245 1205 I C 2.415 178.473 176.117 -0.099 0.000 1.102 1205 I CA 0.898 62.182 61.300 -0.028 0.000 1.385 1205 I CB -0.186 37.802 38.000 -0.020 0.000 1.064 1205 I HN 0.059 nan 8.210 nan 0.000 0.414 1206 A N 0.197 122.920 122.820 -0.161 0.000 2.119 1206 A HA -0.118 4.202 4.320 0.000 0.000 0.217 1206 A C 2.127 179.521 177.584 -0.316 0.000 1.153 1206 A CA 1.749 53.656 52.037 -0.216 0.000 0.692 1206 A CB -0.785 18.085 19.000 -0.216 0.000 0.799 1206 A HN 0.510 nan 8.150 nan 0.000 0.458 1207 T N -3.577 110.726 114.554 -0.418 0.000 3.092 1207 T HA 0.409 4.759 4.350 0.000 0.000 0.258 1207 T C 0.504 175.053 174.700 -0.252 0.000 1.031 1207 T CA 0.041 61.866 62.100 -0.459 0.000 0.925 1207 T CB -0.559 67.803 68.868 -0.842 0.000 1.036 1207 T HN 0.467 nan 8.240 nan 0.000 0.544 1208 L N 0.805 121.928 121.223 -0.167 0.000 3.739 1208 L HA -0.248 4.092 4.340 0.000 0.000 0.442 1208 L C 0.784 177.619 176.870 -0.057 0.000 1.241 1208 L CA 0.211 54.994 54.840 -0.096 0.000 0.819 1208 L CB -2.309 39.690 42.059 -0.101 0.000 1.679 1208 L HN 0.825 nan 8.230 nan 0.000 0.889 1209 A N -0.476 122.329 122.820 -0.025 0.000 2.734 1209 A HA -0.172 4.148 4.320 0.000 0.000 0.294 1209 A C 0.538 178.163 177.584 0.068 0.000 1.455 1209 A CA 1.433 53.510 52.037 0.066 0.000 0.730 1209 A CB -1.170 17.880 19.000 0.083 0.000 1.077 1209 A HN 0.669 nan 8.150 nan 0.000 0.448 1210 E N -0.064 120.153 120.200 0.029 0.000 2.280 1210 E HA 0.357 4.707 4.350 0.000 0.000 0.264 1210 E C 0.463 177.235 176.600 0.287 0.000 1.064 1210 E CA -0.736 55.718 56.400 0.091 0.000 0.900 1210 E CB 0.653 30.338 29.700 -0.024 0.000 1.123 1210 E HN 0.611 nan 8.360 nan 0.000 0.418 1211 Q N 2.242 122.189 119.800 0.244 0.000 2.286 1211 Q HA 0.131 4.471 4.340 0.000 0.000 0.267 1211 Q C -2.265 173.839 176.000 0.172 0.000 1.028 1211 Q CA -1.745 54.193 55.803 0.224 0.000 0.901 1211 Q CB 0.528 29.361 28.738 0.158 0.000 1.183 1211 Q HN 0.119 nan 8.270 nan 0.000 0.392 1212 P HA -0.072 nan 4.420 nan 0.000 0.269 1212 P C -1.255 175.824 177.300 -0.368 0.000 1.209 1212 P CA 0.326 62.995 63.100 -0.718 0.000 0.776 1212 P CB 0.157 31.262 31.700 -0.991 0.000 0.876 1213 Y N -1.365 118.656 120.300 -0.466 0.000 3.305 1213 Y HA -0.267 4.283 4.550 0.000 0.000 0.212 1213 Y C 0.943 176.725 175.900 -0.197 0.000 1.248 1213 Y CA 0.358 58.258 58.100 -0.332 0.000 1.359 1213 Y CB -2.531 35.728 38.460 -0.336 0.000 1.407 1213 Y HN 0.438 nan 8.280 nan 0.000 0.572 1214 Q N 0.798 120.584 119.800 -0.022 0.000 2.330 1214 Q HA 0.304 4.644 4.340 0.000 0.000 0.279 1214 Q C 1.445 177.434 176.000 -0.018 0.000 1.024 1214 Q CA 1.344 57.154 55.803 0.011 0.000 0.900 1214 Q CB 0.586 29.351 28.738 0.045 0.000 1.221 1214 Q HN 0.818 nan 8.270 nan 0.000 0.396 1215 G N 2.890 111.680 108.800 -0.016 0.000 2.213 1215 G HA2 -0.225 3.735 3.960 0.000 0.000 0.236 1215 G HA3 -0.225 3.735 3.960 0.000 0.000 0.236 1215 G C -0.156 174.711 174.900 -0.054 0.000 0.991 1215 G CA 0.091 45.171 45.100 -0.033 0.000 0.629 1215 G HN 0.507 nan 8.290 nan 0.000 0.517 1216 L N 1.804 122.988 121.223 -0.064 0.000 2.334 1216 L HA 0.681 5.021 4.340 0.000 0.000 0.273 1216 L C 1.020 177.863 176.870 -0.046 0.000 1.013 1216 L CA -0.455 54.336 54.840 -0.082 0.000 0.816 1216 L CB 1.922 43.890 42.059 -0.151 0.000 1.278 1216 L HN 0.357 nan 8.230 nan 0.000 0.431 1217 S N 0.236 115.912 115.700 -0.040 0.000 2.632 1217 S HA 0.218 4.688 4.470 0.000 0.000 0.271 1217 S C 0.813 175.395 174.600 -0.030 0.000 1.260 1217 S CA -0.803 57.385 58.200 -0.021 0.000 1.010 1217 S CB 1.111 64.303 63.200 -0.013 0.000 0.965 1217 S HN 0.600 nan 8.310 nan 0.000 0.534 1218 N N 1.729 120.422 118.700 -0.011 0.000 2.096 1218 N HA -0.189 4.552 4.740 0.000 0.000 0.195 1218 N C 1.416 176.908 175.510 -0.030 0.000 1.017 1218 N CA 2.044 55.086 53.050 -0.013 0.000 0.870 1218 N CB -0.712 37.784 38.487 0.016 0.000 1.024 1218 N HN 0.754 nan 8.380 nan 0.000 0.434 1219 E N 0.950 121.138 120.200 -0.020 0.000 2.077 1219 E HA -0.132 4.218 4.350 0.000 0.000 0.193 1219 E C 2.042 178.626 176.600 -0.027 0.000 0.989 1219 E CA 1.016 57.404 56.400 -0.020 0.000 0.800 1219 E CB -0.242 29.451 29.700 -0.011 0.000 0.746 1219 E HN 0.507 nan 8.360 nan 0.000 0.452 1220 Q N -0.130 119.650 119.800 -0.034 0.000 2.230 1220 Q HA -0.037 4.303 4.340 0.000 0.000 0.202 1220 Q C 2.154 178.128 176.000 -0.045 0.000 0.963 1220 Q CA 0.840 56.624 55.803 -0.032 0.000 0.866 1220 Q CB 0.145 28.855 28.738 -0.047 0.000 0.931 1220 Q HN 0.138 nan 8.270 nan 0.000 0.452 1221 V N 1.146 120.994 119.914 -0.110 0.000 2.343 1221 V HA -0.263 3.857 4.120 0.000 0.000 0.247 1221 V C 2.126 178.130 176.094 -0.151 0.000 1.051 1221 V CA 1.484 63.652 62.300 -0.221 0.000 1.036 1221 V CB -0.472 31.158 31.823 -0.322 0.000 0.654 1221 V HN 0.374 nan 8.190 nan 0.000 0.451 1222 L N -0.250 120.914 121.223 -0.099 0.000 2.012 1222 L HA -0.221 4.120 4.340 0.000 0.000 0.210 1222 L C 2.877 179.716 176.870 -0.052 0.000 1.073 1222 L CA 1.861 56.654 54.840 -0.079 0.000 0.748 1222 L CB -0.283 41.744 42.059 -0.053 0.000 0.891 1222 L HN 0.216 nan 8.230 nan 0.000 0.431 1223 R N -1.270 119.220 120.500 -0.015 0.000 2.081 1223 R HA -0.199 4.141 4.340 0.000 0.000 0.235 1223 R C 2.242 178.558 176.300 0.027 0.000 1.131 1223 R CA 1.817 57.919 56.100 0.004 0.000 0.960 1223 R CB -0.643 29.669 30.300 0.019 0.000 0.856 1223 R HN 0.327 nan 8.270 nan 0.000 0.436 1224 F N 1.215 121.102 119.950 -0.106 0.000 2.075 1224 F HA -0.214 4.313 4.527 0.000 0.000 0.297 1224 F C 2.110 177.859 175.800 -0.085 0.000 1.113 1224 F CA 1.451 59.394 58.000 -0.094 0.000 1.218 1224 F CB -0.308 38.620 39.000 -0.120 0.000 0.984 1224 F HN -0.289 nan 8.300 nan 0.000 0.472 1225 V N 0.439 120.309 119.914 -0.072 0.000 2.453 1225 V HA -0.301 3.819 4.120 0.000 0.000 0.247 1225 V C 2.437 178.466 176.094 -0.108 0.000 1.048 1225 V CA 1.935 64.159 62.300 -0.127 0.000 1.049 1225 V CB -0.584 31.155 31.823 -0.140 0.000 0.672 1225 V HN 0.392 nan 8.190 nan 0.000 0.457 1226 M N -0.532 119.010 119.600 -0.097 0.000 2.213 1226 M HA -0.172 4.308 4.480 0.000 0.000 0.263 1226 M C 1.727 178.057 176.300 0.049 0.000 1.062 1226 M CA 1.681 56.952 55.300 -0.047 0.000 1.105 1226 M CB -0.230 32.334 32.600 -0.061 0.000 1.385 1226 M HN 0.367 nan 8.290 nan 0.000 0.417 1227 E N -1.078 119.087 120.200 -0.059 0.000 2.463 1227 E HA 0.150 4.500 4.350 0.000 0.000 0.193 1227 E C 0.983 177.416 176.600 -0.278 0.000 1.041 1227 E CA 0.275 56.598 56.400 -0.129 0.000 0.879 1227 E CB 0.486 30.112 29.700 -0.124 0.000 0.997 1227 E HN 0.646 nan 8.360 nan 0.000 0.478 1228 G N 0.723 109.379 108.800 -0.239 0.000 2.255 1228 G HA2 -0.200 3.760 3.960 0.000 0.000 0.196 1228 G HA3 -0.200 3.760 3.960 0.000 0.000 0.196 1228 G C 0.626 175.364 174.900 -0.270 0.000 0.998 1228 G CA -0.488 44.428 45.100 -0.306 0.000 0.656 1228 G HN 0.446 nan 8.290 nan 0.000 0.490 1229 G N -0.033 108.414 108.800 -0.589 0.000 2.554 1229 G HA2 0.528 4.488 3.960 0.000 0.000 0.238 1229 G HA3 0.528 4.488 3.960 0.000 0.000 0.238 1229 G C -0.075 174.571 174.900 -0.423 0.000 1.259 1229 G CA 0.298 44.718 45.100 -1.132 0.000 0.843 1229 G HN 0.820 nan 8.290 nan 0.000 0.582 1230 L N -0.048 121.152 121.223 -0.038 0.000 2.359 1230 L HA 0.409 4.749 4.340 0.000 0.000 0.256 1230 L C -0.062 176.899 176.870 0.151 0.000 1.026 1230 L CA -1.035 53.867 54.840 0.103 0.000 0.828 1230 L CB 2.083 44.203 42.059 0.101 0.000 1.406 1230 L HN 0.320 nan 8.230 nan 0.000 0.413 1231 L N 1.347 122.351 121.223 -0.365 0.000 2.456 1231 L HA 0.131 4.471 4.340 0.000 0.000 0.272 1231 L C -0.148 176.755 176.870 0.054 0.000 1.189 1231 L CA -0.198 54.336 54.840 -0.510 0.000 0.846 1231 L CB 0.233 41.544 42.059 -1.245 0.000 1.111 1231 L HN 0.470 nan 8.230 nan 0.000 0.475 1232 D N 2.395 122.851 120.400 0.094 0.000 2.339 1232 D HA 0.035 4.675 4.640 0.000 0.000 0.245 1232 D C 0.119 176.518 176.300 0.165 0.000 1.115 1232 D CA -0.246 53.848 54.000 0.158 0.000 0.917 1232 D CB 0.916 41.762 40.800 0.077 0.000 1.192 1232 D HN 0.312 nan 8.370 nan 0.000 0.428 1233 K N 2.154 122.366 120.400 -0.314 0.000 2.436 1233 K HA 0.086 4.406 4.320 0.000 0.000 0.282 1233 K C -2.300 174.141 176.600 -0.265 0.000 1.044 1233 K CA -1.015 54.827 56.287 -0.742 0.000 1.028 1233 K CB 0.183 31.853 32.500 -1.384 0.000 0.919 1233 K HN 0.047 nan 8.250 nan 0.000 0.474 1234 P HA -0.083 nan 4.420 nan 0.000 0.264 1234 P C -0.889 176.287 177.300 -0.207 0.000 1.183 1234 P CA -0.060 62.891 63.100 -0.248 0.000 0.763 1234 P CB 0.428 31.879 31.700 -0.416 0.000 0.807 1235 D N 2.600 122.900 120.400 -0.168 0.000 2.533 1235 D HA -0.063 4.577 4.640 0.000 0.000 0.236 1235 D C 0.488 176.708 176.300 -0.133 0.000 1.137 1235 D CA 0.852 54.772 54.000 -0.133 0.000 0.867 1235 D CB -0.490 40.247 40.800 -0.105 0.000 1.170 1235 D HN 0.409 nan 8.370 nan 0.000 0.474 1236 N N 0.633 119.265 118.700 -0.112 0.000 2.828 1236 N HA -0.250 4.490 4.740 0.000 0.000 0.248 1236 N C -0.278 175.172 175.510 -0.100 0.000 1.044 1236 N CA 0.457 53.450 53.050 -0.095 0.000 0.851 1236 N CB -1.570 36.865 38.487 -0.087 0.000 1.136 1236 N HN 0.442 nan 8.380 nan 0.000 0.572 1237 C N 1.778 121.005 119.300 -0.122 0.000 2.648 1237 C HA 0.238 4.699 4.460 0.000 0.000 0.419 1237 C C -1.706 173.248 174.990 -0.060 0.000 1.352 1237 C CA -1.383 57.572 59.018 -0.104 0.000 1.816 1237 C CB -0.250 27.416 27.740 -0.123 0.000 2.598 1237 C HN 0.179 nan 8.230 nan 0.000 0.598 1238 P HA 0.094 nan 4.420 nan 0.000 0.264 1238 P C 0.333 177.642 177.300 0.016 0.000 1.193 1238 P CA 0.457 63.546 63.100 -0.018 0.000 0.763 1238 P CB 0.490 32.177 31.700 -0.022 0.000 0.810 1239 D N 2.323 122.737 120.400 0.022 0.000 2.190 1239 D HA -0.179 4.461 4.640 0.000 0.000 0.200 1239 D C 1.518 177.860 176.300 0.070 0.000 0.992 1239 D CA 1.276 55.314 54.000 0.062 0.000 0.854 1239 D CB -0.308 40.518 40.800 0.042 0.000 0.936 1239 D HN 0.369 nan 8.370 nan 0.000 0.462 1240 M N 0.035 119.651 119.600 0.028 0.000 2.288 1240 M HA -0.052 4.428 4.480 0.000 0.000 0.266 1240 M C 1.750 178.045 176.300 -0.008 0.000 1.072 1240 M CA 0.886 56.188 55.300 0.004 0.000 1.132 1240 M CB -0.166 32.428 32.600 -0.009 0.000 1.386 1240 M HN 0.007 nan 8.290 nan 0.000 0.432 1241 L N -0.367 120.860 121.223 0.006 0.000 2.056 1241 L HA -0.180 4.160 4.340 0.000 0.000 0.207 1241 L C 2.439 179.308 176.870 -0.002 0.000 1.078 1241 L CA 1.012 55.844 54.840 -0.013 0.000 0.749 1241 L CB -0.812 41.240 42.059 -0.012 0.000 0.901 1241 L HN 0.220 nan 8.230 nan 0.000 0.433 1242 F N 1.138 121.030 119.950 -0.096 0.000 2.186 1242 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 1242 F C 2.505 178.220 175.800 -0.142 0.000 1.090 1242 F CA 1.371 59.310 58.000 -0.100 0.000 1.307 1242 F CB -0.122 38.859 39.000 -0.032 0.000 1.019 1242 F HN 0.029 nan 8.300 nan 0.000 0.489 1243 E N 0.473 120.561 120.200 -0.187 0.000 2.150 1243 E HA -0.161 4.189 4.350 0.000 0.000 0.193 1243 E C 2.534 178.954 176.600 -0.300 0.000 0.985 1243 E CA 0.876 57.114 56.400 -0.270 0.000 0.814 1243 E CB -0.636 28.997 29.700 -0.113 0.000 0.752 1243 E HN 0.447 nan 8.360 nan 0.000 0.466 1244 L N 0.056 121.133 121.223 -0.245 0.000 2.027 1244 L HA -0.147 4.193 4.340 0.000 0.000 0.206 1244 L C 2.597 179.207 176.870 -0.434 0.000 1.074 1244 L CA 1.021 55.717 54.840 -0.239 0.000 0.745 1244 L CB -0.350 41.631 42.059 -0.130 0.000 0.898 1244 L HN 0.162 nan 8.230 nan 0.000 0.433 1245 M N -0.966 118.257 119.600 -0.629 0.000 2.106 1245 M HA -0.258 4.222 4.480 0.000 0.000 0.259 1245 M C 2.364 177.819 176.300 -1.407 0.000 1.068 1245 M CA 1.769 56.319 55.300 -1.250 0.000 1.100 1245 M CB -0.525 31.287 32.600 -1.314 0.000 1.351 1245 M HN 0.163 nan 8.290 nan 0.000 0.404 1246 R N 0.019 119.974 120.500 -0.908 0.000 2.092 1246 R HA -0.049 4.291 4.340 0.000 0.000 0.231 1246 R C 2.126 178.231 176.300 -0.325 0.000 1.119 1246 R CA 1.365 57.138 56.100 -0.546 0.000 0.970 1246 R CB -0.281 29.712 30.300 -0.510 0.000 0.864 1246 R HN 0.447 nan 8.270 nan 0.000 0.440 1247 M N -0.548 118.856 119.600 -0.326 0.000 2.200 1247 M HA -0.139 4.341 4.480 0.000 0.000 0.265 1247 M C 2.309 178.510 176.300 -0.165 0.000 1.066 1247 M CA 1.137 56.324 55.300 -0.189 0.000 1.127 1247 M CB -0.182 32.323 32.600 -0.159 0.000 1.379 1247 M HN 0.192 nan 8.290 nan 0.000 0.420 1248 C N -0.623 118.492 119.300 -0.309 0.000 2.432 1248 C HA -0.104 4.356 4.460 0.000 0.000 0.282 1248 C C 1.559 176.526 174.990 -0.039 0.000 1.388 1248 C CA 0.229 59.113 59.018 -0.223 0.000 1.777 1248 C CB -0.983 26.544 27.740 -0.355 0.000 1.882 1248 C HN 0.664 nan 8.230 nan 0.000 0.520 1249 W N 0.450 121.643 121.300 -0.179 0.000 3.194 1249 W HA 0.312 4.972 4.660 -0.000 0.000 0.408 1249 W C 0.469 177.090 176.519 0.169 0.000 1.072 1249 W CA -0.756 56.458 57.345 -0.218 0.000 1.953 1249 W CB -1.149 27.948 29.460 -0.604 0.000 1.091 1249 W HN 0.309 nan 8.180 nan 0.000 0.699 1250 Q N 0.377 120.351 119.800 0.290 0.000 2.283 1250 Q HA -0.154 4.186 4.340 0.000 0.000 0.301 1250 Q C 1.046 177.242 176.000 0.327 0.000 1.063 1250 Q CA 0.445 56.390 55.803 0.236 0.000 0.952 1250 Q CB 0.597 29.399 28.738 0.107 0.000 1.166 1250 Q HN 0.314 nan 8.270 nan 0.000 0.381 1251 Y N 2.928 123.321 120.300 0.155 0.000 2.181 1251 Y HA -0.186 4.364 4.550 0.000 0.000 0.288 1251 Y C 0.956 176.877 175.900 0.035 0.000 1.146 1251 Y CA 1.369 59.530 58.100 0.102 0.000 1.164 1251 Y CB 0.265 38.750 38.460 0.041 0.000 0.982 1251 Y HN 0.586 nan 8.280 nan 0.000 0.515 1252 N N 1.345 120.090 118.700 0.074 0.000 2.405 1252 N HA 0.047 4.787 4.740 0.000 0.000 0.260 1252 N C -2.132 173.320 175.510 -0.098 0.000 1.152 1252 N CA -1.807 51.216 53.050 -0.045 0.000 0.948 1252 N CB 1.130 39.613 38.487 -0.007 0.000 1.111 1252 N HN 0.040 nan 8.380 nan 0.000 0.485 1253 P HA -0.161 nan 4.420 nan 0.000 0.217 1253 P C 0.582 177.587 177.300 -0.492 0.000 1.148 1253 P CA 1.567 64.547 63.100 -0.201 0.000 0.828 1253 P CB 0.284 31.907 31.700 -0.128 0.000 0.783 1254 K N -1.445 118.659 120.400 -0.492 0.000 2.439 1254 K HA 0.052 4.372 4.320 0.000 0.000 0.197 1254 K C 1.253 177.679 176.600 -0.290 0.000 1.041 1254 K CA 0.760 56.719 56.287 -0.545 0.000 0.970 1254 K CB -0.171 32.132 32.500 -0.329 0.000 0.773 1254 K HN 0.149 nan 8.250 nan 0.000 0.479 1255 M N 0.322 119.813 119.600 -0.182 0.000 2.428 1255 M HA 0.100 4.580 4.480 0.000 0.000 0.239 1255 M C 0.263 176.520 176.300 -0.071 0.000 1.121 1255 M CA 0.322 55.566 55.300 -0.094 0.000 1.019 1255 M CB -0.221 32.354 32.600 -0.043 0.000 1.485 1255 M HN -0.083 nan 8.290 nan 0.000 0.484 1256 R N 1.600 122.049 120.500 -0.086 0.000 2.615 1256 R HA 0.297 4.637 4.340 0.000 0.000 0.270 1256 R C -2.057 174.207 176.300 -0.060 0.000 1.081 1256 R CA -1.188 54.886 56.100 -0.044 0.000 1.154 1256 R CB -0.120 30.188 30.300 0.013 0.000 1.063 1256 R HN 0.037 nan 8.270 nan 0.000 0.519 1257 P HA 0.076 nan 4.420 nan 0.000 0.278 1257 P C -0.799 176.435 177.300 -0.110 0.000 1.258 1257 P CA -0.534 62.522 63.100 -0.073 0.000 0.811 1257 P CB 1.155 32.805 31.700 -0.084 0.000 1.063 1258 S N -0.137 115.521 115.700 -0.070 0.000 2.681 1258 S HA 0.274 4.744 4.470 0.000 0.000 0.270 1258 S C 1.035 175.530 174.600 -0.175 0.000 1.209 1258 S CA -0.350 57.792 58.200 -0.096 0.000 0.988 1258 S CB -0.132 63.098 63.200 0.050 0.000 1.006 1258 S HN 0.222 nan 8.310 nan 0.000 0.558 1259 F N 0.147 120.090 119.950 -0.012 0.000 2.186 1259 F HA 0.088 4.615 4.527 0.000 0.000 0.299 1259 F C 2.120 177.916 175.800 -0.006 0.000 1.090 1259 F CA 0.850 58.794 58.000 -0.094 0.000 1.307 1259 F CB -0.773 38.165 39.000 -0.104 0.000 1.019 1259 F HN 0.417 nan 8.300 nan 0.000 0.489 1260 L N -0.310 121.075 121.223 0.271 0.000 2.042 1260 L HA -0.230 4.110 4.340 0.000 0.000 0.210 1260 L C 2.296 179.287 176.870 0.201 0.000 1.076 1260 L CA 1.558 56.581 54.840 0.306 0.000 0.749 1260 L CB -0.694 41.540 42.059 0.292 0.000 0.893 1260 L HN 0.189 nan 8.230 nan 0.000 0.432 1261 E N 0.163 120.427 120.200 0.107 0.000 2.106 1261 E HA -0.187 4.163 4.350 0.000 0.000 0.192 1261 E C 2.299 178.901 176.600 0.002 0.000 0.984 1261 E CA 0.989 57.420 56.400 0.052 0.000 0.806 1261 E CB -0.015 29.698 29.700 0.021 0.000 0.750 1261 E HN 0.479 nan 8.360 nan 0.000 0.458 1262 I N 0.844 121.401 120.570 -0.021 0.000 2.179 1262 I HA -0.277 3.893 4.170 0.000 0.000 0.242 1262 I C 2.287 178.366 176.117 -0.064 0.000 1.088 1262 I CA 1.061 62.337 61.300 -0.040 0.000 1.357 1262 I CB -0.180 37.778 38.000 -0.071 0.000 1.051 1262 I HN 0.112 nan 8.210 nan 0.000 0.409 1263 I N -0.151 120.359 120.570 -0.100 0.000 2.226 1263 I HA -0.323 3.847 4.170 0.000 0.000 0.245 1263 I C 2.765 178.663 176.117 -0.364 0.000 1.100 1263 I CA 1.365 62.508 61.300 -0.263 0.000 1.374 1263 I CB -0.391 37.382 38.000 -0.379 0.000 1.057 1263 I HN 0.190 nan 8.210 nan 0.000 0.413 1264 S N 0.489 116.024 115.700 -0.275 0.000 2.383 1264 S HA -0.215 4.255 4.470 0.000 0.000 0.229 1264 S C 2.162 176.724 174.600 -0.064 0.000 1.030 1264 S CA 1.989 60.117 58.200 -0.121 0.000 1.002 1264 S CB -0.354 62.893 63.200 0.078 0.000 0.829 1264 S HN 0.613 nan 8.310 nan 0.000 0.467 1265 S N 0.835 116.499 115.700 -0.060 0.000 2.522 1265 S HA 0.100 4.570 4.470 0.000 0.000 0.227 1265 S C 1.370 175.940 174.600 -0.051 0.000 0.986 1265 S CA 0.574 58.751 58.200 -0.038 0.000 0.929 1265 S CB -0.637 62.545 63.200 -0.031 0.000 0.769 1265 S HN 0.808 nan 8.310 nan 0.000 0.529 1266 I N -2.109 118.407 120.570 -0.089 0.000 4.225 1266 I HA 0.353 4.523 4.170 0.000 0.000 0.327 1266 I C 1.516 177.554 176.117 -0.133 0.000 1.422 1266 I CA -0.592 60.649 61.300 -0.098 0.000 1.150 1266 I CB 0.089 38.028 38.000 -0.101 0.000 1.192 1266 I HN 0.078 nan 8.210 nan 0.000 0.440 1267 K N 1.853 122.176 120.400 -0.128 0.000 2.103 1267 K HA -0.140 4.180 4.320 0.000 0.000 0.207 1267 K C 1.304 177.903 176.600 -0.001 0.000 1.048 1267 K CA 1.822 58.058 56.287 -0.084 0.000 0.930 1267 K CB -0.428 32.098 32.500 0.044 0.000 0.716 1267 K HN 0.465 nan 8.250 nan 0.000 0.444 1268 E N 0.774 120.982 120.200 0.013 0.000 2.153 1268 E HA -0.121 4.229 4.350 0.000 0.000 0.194 1268 E C 1.618 178.215 176.600 -0.006 0.000 0.988 1268 E CA 0.829 57.243 56.400 0.024 0.000 0.811 1268 E CB 0.122 29.836 29.700 0.024 0.000 0.746 1268 E HN 0.384 nan 8.360 nan 0.000 0.466 1269 E N -0.174 120.003 120.200 -0.039 0.000 2.478 1269 E HA 0.009 4.359 4.350 0.000 0.000 0.194 1269 E C 0.462 177.020 176.600 -0.070 0.000 1.045 1269 E CA 0.236 56.609 56.400 -0.046 0.000 0.868 1269 E CB 0.197 29.867 29.700 -0.049 0.000 0.885 1269 E HN 0.218 nan 8.360 nan 0.000 0.505 1270 M N 1.144 120.676 119.600 -0.113 0.000 2.242 1270 M HA 0.124 4.604 4.480 0.000 0.000 0.344 1270 M C 0.580 176.866 176.300 -0.024 0.000 1.140 1270 M CA -0.005 55.200 55.300 -0.160 0.000 1.160 1270 M CB 0.190 32.527 32.600 -0.438 0.000 1.491 1270 M HN -0.137 nan 8.290 nan 0.000 0.459 1271 E N 2.559 122.772 120.200 0.021 0.000 2.422 1271 E HA -0.019 4.331 4.350 0.000 0.000 0.260 1271 E C -1.475 175.196 176.600 0.118 0.000 1.108 1271 E CA -1.102 55.340 56.400 0.071 0.000 0.943 1271 E CB 0.232 29.985 29.700 0.088 0.000 0.961 1271 E HN 0.403 nan 8.360 nan 0.000 0.443 1272 P HA -0.134 nan 4.420 nan 0.000 0.216 1272 P C 1.125 178.477 177.300 0.086 0.000 1.150 1272 P CA 1.251 64.393 63.100 0.069 0.000 0.837 1272 P CB 0.074 31.797 31.700 0.038 0.000 0.786 1273 G N -1.418 107.443 108.800 0.102 0.000 2.625 1273 G HA2 -0.246 3.714 3.960 0.000 0.000 0.214 1273 G HA3 -0.246 3.714 3.960 0.000 0.000 0.214 1273 G C 1.179 176.156 174.900 0.129 0.000 1.132 1273 G CA -0.155 44.994 45.100 0.082 0.000 0.782 1273 G HN 0.198 nan 8.290 nan 0.000 0.538 1274 F N 0.928 120.923 119.950 0.074 0.000 2.293 1274 F HA 0.091 4.618 4.527 0.000 0.000 0.300 1274 F C 2.365 178.264 175.800 0.165 0.000 1.086 1274 F CA 0.850 58.947 58.000 0.161 0.000 1.375 1274 F CB 0.139 39.250 39.000 0.185 0.000 1.045 1274 F HN 0.099 nan 8.300 nan 0.000 0.516 1275 R N 0.088 120.597 120.500 0.015 0.000 2.323 1275 R HA -0.035 4.305 4.340 0.000 0.000 0.198 1275 R C 1.076 177.270 176.300 -0.178 0.000 0.988 1275 R CA 1.051 56.975 56.100 -0.293 0.000 1.041 1275 R CB -0.002 29.994 30.300 -0.506 0.000 0.926 1275 R HN 0.409 nan 8.270 nan 0.000 0.476 1276 E N -1.467 118.662 120.200 -0.119 0.000 2.391 1276 E HA -0.046 4.304 4.350 0.000 0.000 0.206 1276 E C 1.413 177.929 176.600 -0.140 0.000 0.851 1276 E CA 0.355 56.689 56.400 -0.109 0.000 1.059 1276 E CB 0.891 30.534 29.700 -0.096 0.000 1.065 1276 E HN 0.186 nan 8.360 nan 0.000 0.512 1277 V N -0.719 119.079 119.914 -0.194 0.000 3.565 1277 V HA 0.176 4.296 4.120 0.000 0.000 0.260 1277 V C 0.977 176.961 176.094 -0.183 0.000 1.231 1277 V CA 0.099 62.215 62.300 -0.306 0.000 1.100 1277 V CB 0.155 31.587 31.823 -0.651 0.000 0.807 1277 V HN 0.116 nan 8.190 nan 0.000 0.454 1278 S N -0.345 115.249 115.700 -0.178 0.000 2.632 1278 S HA 0.402 4.872 4.470 0.000 0.000 0.267 1278 S C 0.586 175.227 174.600 0.068 0.000 1.276 1278 S CA 0.073 58.217 58.200 -0.093 0.000 0.998 1278 S CB 1.034 63.785 63.200 -0.748 0.000 0.953 1278 S HN 0.399 nan 8.310 nan 0.000 0.547 1279 F N 0.999 120.996 119.950 0.079 0.000 2.293 1279 F HA 0.049 4.576 4.527 0.000 0.000 0.297 1279 F C 1.906 177.766 175.800 0.101 0.000 1.089 1279 F CA 0.788 58.861 58.000 0.121 0.000 1.377 1279 F CB -0.570 38.563 39.000 0.221 0.000 1.051 1279 F HN 0.819 nan 8.300 nan 0.000 0.511 1280 Y N -0.285 119.967 120.300 -0.081 0.000 2.165 1280 Y HA -0.299 4.251 4.550 0.000 0.000 0.286 1280 Y C 1.194 176.848 175.900 -0.409 0.000 1.155 1280 Y CA 2.096 60.050 58.100 -0.243 0.000 1.164 1280 Y CB -0.534 37.869 38.460 -0.095 0.000 0.978 1280 Y HN 0.145 nan 8.280 nan 0.000 0.513 1281 Y N 0.012 120.236 120.300 -0.126 0.000 2.571 1281 Y HA 0.173 4.723 4.550 0.000 0.000 0.275 1281 Y C 0.981 176.771 175.900 -0.183 0.000 1.179 1281 Y CA -0.253 57.756 58.100 -0.151 0.000 1.242 1281 Y CB 0.012 38.449 38.460 -0.039 0.000 1.126 1281 Y HN -0.008 nan 8.280 nan 0.000 0.524 1282 S N -1.258 114.353 115.700 -0.148 0.000 2.693 1282 S HA 0.161 4.631 4.470 0.000 0.000 0.276 1282 S C 1.008 175.516 174.600 -0.153 0.000 1.192 1282 S CA -0.723 57.406 58.200 -0.118 0.000 0.994 1282 S CB 1.444 64.596 63.200 -0.080 0.000 1.012 1282 S HN 0.390 nan 8.310 nan 0.000 0.550 1283 E N 0.345 120.499 120.200 -0.076 0.000 2.153 1283 E HA -0.176 4.174 4.350 0.000 0.000 0.194 1283 E C 1.715 178.270 176.600 -0.074 0.000 0.988 1283 E CA 1.101 57.464 56.400 -0.062 0.000 0.811 1283 E CB -0.130 29.559 29.700 -0.019 0.000 0.746 1283 E HN 0.864 nan 8.360 nan 0.000 0.466 1284 E N 0.642 120.807 120.200 -0.059 0.000 2.331 1284 E HA -0.153 4.197 4.350 0.000 0.000 0.199 1284 E C 0.532 177.059 176.600 -0.121 0.000 1.008 1284 E CA 0.463 56.868 56.400 0.009 0.000 0.843 1284 E CB 0.195 30.030 29.700 0.224 0.000 0.761 1284 E HN 0.013 nan 8.360 nan 0.000 0.507 1285 N N 0.000 118.486 118.700 -0.356 0.000 1.763 1285 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1285 N CA 0.000 52.785 53.050 -0.442 0.000 0.885 1285 N CB 0.000 37.925 38.487 -0.937 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667