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 3f5p_1_H DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPEMX 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 YYSEENK 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 0.000 174.674 174.600 0.124 0.000 1.055 980 S CA 0.000 58.255 58.200 0.092 0.000 1.107 980 S CB 0.000 63.251 63.200 0.085 0.000 0.593 981 F N 2.978 122.931 119.950 0.004 0.000 2.456 981 F HA 0.653 5.180 4.527 -0.000 0.000 0.358 981 F C 0.718 176.524 175.800 0.009 0.000 1.095 981 F CA 1.083 59.086 58.000 0.005 0.000 1.216 981 F CB 1.000 40.002 39.000 0.004 0.000 1.125 981 F HN 0.964 nan 8.300 nan 0.000 0.549 982 S N 3.252 118.760 115.700 -0.321 0.000 2.671 982 S HA 0.695 5.165 4.470 -0.000 0.000 0.277 982 S C 0.454 174.898 174.600 -0.259 0.000 1.165 982 S CA -0.469 57.622 58.200 -0.182 0.000 0.822 982 S CB 1.104 64.240 63.200 -0.107 0.000 1.150 982 S HN 0.816 nan 8.310 nan 0.000 0.479 983 A N 1.018 123.772 122.820 -0.110 0.000 1.958 983 A HA 0.050 4.369 4.320 -0.000 0.000 0.221 983 A C 2.328 179.891 177.584 -0.034 0.000 1.178 983 A CA 2.509 54.531 52.037 -0.027 0.000 0.642 983 A CB -1.744 17.176 19.000 -0.134 0.000 0.816 983 A HN 1.615 nan 8.150 nan 0.000 0.453 984 A N -0.486 122.246 122.820 -0.147 0.000 1.940 984 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 984 A C 1.843 179.331 177.584 -0.159 0.000 1.176 984 A CA 1.825 53.768 52.037 -0.157 0.000 0.631 984 A CB -0.593 18.308 19.000 -0.165 0.000 0.814 984 A HN 0.551 nan 8.150 nan 0.000 0.446 985 D N -0.796 119.439 120.400 -0.275 0.000 2.178 985 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 985 D C 1.952 178.099 176.300 -0.256 0.000 0.980 985 D CA 1.792 55.590 54.000 -0.337 0.000 0.842 985 D CB 0.146 40.529 40.800 -0.695 0.000 0.948 985 D HN 0.402 nan 8.370 nan 0.000 0.472 986 V N -1.375 118.393 119.914 -0.244 0.000 2.922 986 V HA -0.028 4.092 4.120 -0.000 0.000 0.242 986 V C 1.454 177.407 176.094 -0.234 0.000 1.094 986 V CA 0.454 62.627 62.300 -0.212 0.000 1.106 986 V CB -0.394 31.288 31.823 -0.235 0.000 0.799 986 V HN 0.007 nan 8.190 nan 0.000 0.474 987 Y N 1.681 121.894 120.300 -0.144 0.000 2.546 987 Y HA 0.322 4.872 4.550 -0.000 0.000 0.287 987 Y C 1.039 176.847 175.900 -0.152 0.000 1.158 987 Y CA 0.883 58.898 58.100 -0.141 0.000 1.307 987 Y CB 0.302 38.660 38.460 -0.169 0.000 1.036 987 Y HN 0.302 nan 8.280 nan 0.000 0.532 988 V N -1.411 118.490 119.914 -0.021 0.000 2.370 988 V HA 0.524 4.644 4.120 -0.000 0.000 0.283 988 V C -2.713 173.392 176.094 0.018 0.000 1.023 988 V CA -3.151 59.124 62.300 -0.040 0.000 0.857 988 V CB 1.044 32.837 31.823 -0.049 0.000 0.985 988 V HN -0.162 nan 8.190 nan 0.000 0.443 989 P HA 0.100 nan 4.420 nan 0.000 0.264 989 P C 0.015 177.416 177.300 0.169 0.000 1.183 989 P CA 0.208 63.399 63.100 0.152 0.000 0.763 989 P CB 0.315 32.196 31.700 0.302 0.000 0.807 990 D N 2.761 123.209 120.400 0.080 0.000 2.801 990 D HA -0.092 4.548 4.640 -0.000 0.000 0.249 990 D C 0.507 176.819 176.300 0.021 0.000 1.273 990 D CA 0.586 54.611 54.000 0.043 0.000 0.953 990 D CB -0.341 40.469 40.800 0.017 0.000 1.134 990 D HN 0.452 nan 8.370 nan 0.000 0.449 991 E N -1.613 118.610 120.200 0.039 0.000 2.749 991 E HA 0.014 4.364 4.350 -0.000 0.000 0.157 991 E C 0.125 176.510 176.600 -0.358 0.000 0.887 991 E CA -0.279 56.038 56.400 -0.139 0.000 1.369 991 E CB -0.890 28.703 29.700 -0.178 0.000 1.005 991 E HN 0.262 nan 8.360 nan 0.000 0.469 992 W N 2.026 123.304 121.300 -0.036 0.000 2.518 992 W HA 0.347 5.007 4.660 -0.000 0.000 0.352 992 W C 0.559 177.056 176.519 -0.037 0.000 0.952 992 W CA -0.339 56.984 57.345 -0.037 0.000 1.624 992 W CB 1.006 30.436 29.460 -0.049 0.000 1.135 992 W HN -0.014 nan 8.180 nan 0.000 0.540 993 E N 1.365 121.633 120.200 0.113 0.000 2.349 993 E HA 0.400 4.750 4.350 -0.000 0.000 0.262 993 E C -0.712 175.907 176.600 0.031 0.000 1.088 993 E CA -0.246 56.191 56.400 0.061 0.000 0.899 993 E CB 1.746 31.465 29.700 0.032 0.000 1.044 993 E HN -0.157 nan 8.360 nan 0.000 0.420 994 V N 1.489 121.418 119.914 0.026 0.000 3.000 994 V HA 0.602 4.722 4.120 -0.000 0.000 0.300 994 V C -1.527 174.574 176.094 0.012 0.000 1.251 994 V CA -0.287 62.023 62.300 0.015 0.000 0.972 994 V CB 1.696 33.533 31.823 0.023 0.000 1.065 994 V HN 0.824 nan 8.190 nan 0.000 0.431 995 A N 5.133 127.957 122.820 0.006 0.000 2.409 995 A HA 0.482 4.802 4.320 -0.000 0.000 0.267 995 A C 1.110 178.698 177.584 0.007 0.000 1.127 995 A CA 0.436 52.476 52.037 0.005 0.000 0.795 995 A CB 0.164 19.165 19.000 0.002 0.000 1.061 995 A HN 1.120 nan 8.150 nan 0.000 0.502 996 R N 1.190 121.694 120.500 0.007 0.000 2.178 996 R HA -0.239 4.101 4.340 -0.000 0.000 0.257 996 R C 1.913 178.216 176.300 0.005 0.000 1.163 996 R CA 2.325 58.429 56.100 0.008 0.000 0.981 996 R CB -0.113 30.190 30.300 0.005 0.000 0.878 996 R HN 0.940 nan 8.270 nan 0.000 0.454 997 E N 0.802 121.003 120.200 0.002 0.000 2.070 997 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 997 E C 1.462 178.063 176.600 0.001 0.000 1.004 997 E CA 1.574 57.974 56.400 0.000 0.000 0.805 997 E CB -0.394 29.306 29.700 -0.000 0.000 0.744 997 E HN 0.455 nan 8.360 nan 0.000 0.451 998 K N 0.234 120.636 120.400 0.004 0.000 2.442 998 K HA 0.002 4.322 4.320 -0.000 0.000 0.198 998 K C 0.342 176.947 176.600 0.009 0.000 1.044 998 K CA 0.382 56.672 56.287 0.005 0.000 0.948 998 K CB 0.109 32.612 32.500 0.005 0.000 0.762 998 K HN 0.117 nan 8.250 nan 0.000 0.472 999 I N 2.038 122.614 120.570 0.010 0.000 2.330 999 I HA 0.074 4.244 4.170 -0.000 0.000 0.289 999 I C 0.328 176.448 176.117 0.006 0.000 1.001 999 I CA -0.519 60.790 61.300 0.015 0.000 1.193 999 I CB 0.858 38.873 38.000 0.025 0.000 1.345 999 I HN -0.053 nan 8.210 nan 0.000 0.461 1000 T N 5.083 119.640 114.554 0.005 0.000 2.841 1000 T HA 0.765 5.115 4.350 -0.000 0.000 0.283 1000 T C -0.382 174.313 174.700 -0.009 0.000 1.000 1000 T CA -0.860 61.235 62.100 -0.008 0.000 0.977 1000 T CB 1.637 70.501 68.868 -0.008 0.000 0.979 1000 T HN 0.379 nan 8.240 nan 0.000 0.446 1001 M N 3.255 122.832 119.600 -0.039 0.000 2.268 1001 M HA 0.390 4.870 4.480 -0.000 0.000 0.344 1001 M C 1.115 177.384 176.300 -0.053 0.000 1.106 1001 M CA -1.008 54.262 55.300 -0.049 0.000 1.010 1001 M CB 2.149 34.657 32.600 -0.153 0.000 1.649 1001 M HN 0.941 nan 8.290 nan 0.000 0.443 1002 S N 3.159 118.855 115.700 -0.006 0.000 2.517 1002 S HA 0.247 4.717 4.470 -0.000 0.000 0.228 1002 S C 0.394 175.005 174.600 0.018 0.000 1.060 1002 S CA -0.012 58.190 58.200 0.003 0.000 0.937 1002 S CB 0.424 63.635 63.200 0.019 0.000 0.840 1002 S HN 0.817 nan 8.310 nan 0.000 0.546 1003 R N 0.697 121.240 120.500 0.072 0.000 2.594 1003 R HA 0.523 4.863 4.340 -0.000 0.000 0.265 1003 R C -1.625 174.810 176.300 0.225 0.000 1.070 1003 R CA -0.721 55.446 56.100 0.112 0.000 0.909 1003 R CB 0.470 30.811 30.300 0.069 0.000 1.243 1003 R HN 0.167 nan 8.270 nan 0.000 0.455 1004 E N 1.899 122.275 120.200 0.293 0.000 2.467 1004 E HA -0.053 4.296 4.350 -0.000 0.000 0.264 1004 E C 0.031 176.675 176.600 0.073 0.000 1.020 1004 E CA 0.297 56.844 56.400 0.245 0.000 0.945 1004 E CB 0.654 30.450 29.700 0.161 0.000 0.942 1004 E HN 0.533 nan 8.360 nan 0.000 0.449 1005 L N 0.965 122.173 121.223 -0.025 0.000 2.609 1005 L HA 0.304 4.644 4.340 -0.000 0.000 0.230 1005 L C 0.964 177.798 176.870 -0.059 0.000 1.064 1005 L CA 0.376 55.198 54.840 -0.030 0.000 0.873 1005 L CB 0.400 42.440 42.059 -0.033 0.000 1.139 1005 L HN 0.783 nan 8.230 nan 0.000 0.490 1006 G N -0.565 108.169 108.800 -0.111 0.000 2.357 1006 G HA2 0.020 3.980 3.960 -0.000 0.000 0.289 1006 G HA3 0.020 3.980 3.960 -0.000 0.000 0.289 1006 G C -1.751 173.061 174.900 -0.148 0.000 1.302 1006 G CA -0.785 44.253 45.100 -0.104 0.000 0.936 1006 G HN -0.173 nan 8.290 nan 0.000 0.513 1007 Q N -0.432 119.298 119.800 -0.118 0.000 2.394 1007 Q HA 0.614 4.954 4.340 -0.000 0.000 0.248 1007 Q C 0.545 176.459 176.000 -0.143 0.000 0.992 1007 Q CA 1.042 56.767 55.803 -0.129 0.000 0.888 1007 Q CB 1.171 29.847 28.738 -0.104 0.000 1.257 1007 Q HN 1.402 nan 8.270 nan 0.000 0.462 1008 G N -0.382 108.322 108.800 -0.160 0.000 2.660 1008 G HA2 0.404 4.364 3.960 -0.000 0.000 0.294 1008 G HA3 0.404 4.364 3.960 -0.000 0.000 0.294 1008 G C 0.386 175.139 174.900 -0.245 0.000 1.369 1008 G CA -0.145 44.846 45.100 -0.182 0.000 0.912 1008 G HN 0.685 nan 8.290 nan 0.000 0.479 1009 S N 0.228 115.723 115.700 -0.342 0.000 2.406 1009 S HA -0.273 4.197 4.470 -0.000 0.000 0.242 1009 S C 1.428 175.594 174.600 -0.724 0.000 1.079 1009 S CA 2.160 59.993 58.200 -0.612 0.000 1.133 1009 S CB -0.478 62.211 63.200 -0.850 0.000 1.005 1009 S HN 0.463 nan 8.310 nan 0.000 0.443 1010 F N 1.937 121.701 119.950 -0.309 0.000 2.661 1010 F HA 0.604 5.131 4.527 -0.000 0.000 0.306 1010 F C 1.367 177.084 175.800 -0.139 0.000 1.094 1010 F CA 0.009 57.860 58.000 -0.249 0.000 1.254 1010 F CB 1.104 39.851 39.000 -0.421 0.000 1.040 1010 F HN 0.630 nan 8.300 nan 0.000 0.562 1011 G N 0.078 108.861 108.800 -0.029 0.000 2.335 1011 G HA2 0.359 4.319 3.960 -0.000 0.000 0.291 1011 G HA3 0.359 4.319 3.960 -0.000 0.000 0.291 1011 G C -1.891 172.955 174.900 -0.090 0.000 1.261 1011 G CA -0.987 44.106 45.100 -0.011 0.000 0.871 1011 G HN -0.124 nan 8.290 nan 0.000 0.491 1012 M N 1.389 120.921 119.600 -0.114 0.000 2.180 1012 M HA 0.663 5.143 4.480 -0.000 0.000 0.350 1012 M C -0.348 175.649 176.300 -0.505 0.000 1.125 1012 M CA -0.583 54.532 55.300 -0.307 0.000 1.031 1012 M CB 1.432 33.831 32.600 -0.335 0.000 1.623 1012 M HN 0.420 nan 8.290 nan 0.000 0.451 1013 V N 6.377 126.018 119.914 -0.456 0.000 2.546 1013 V HA 0.377 4.497 4.120 -0.000 0.000 0.284 1013 V C -0.899 174.863 176.094 -0.553 0.000 1.050 1013 V CA -0.357 61.722 62.300 -0.367 0.000 0.981 1013 V CB 0.301 32.020 31.823 -0.174 0.000 0.990 1013 V HN 0.769 nan 8.190 nan 0.000 0.474 1014 Y N 0.911 121.221 120.300 0.017 0.000 2.499 1014 Y HA 0.461 5.011 4.550 -0.000 0.000 0.347 1014 Y C 0.184 176.093 175.900 0.014 0.000 0.987 1014 Y CA -1.009 57.100 58.100 0.014 0.000 1.044 1014 Y CB 1.510 39.980 38.460 0.017 0.000 1.245 1014 Y HN 0.652 nan 8.280 nan 0.000 0.461 1015 E N 1.373 121.674 120.200 0.168 0.000 2.259 1015 E HA 0.584 4.934 4.350 -0.000 0.000 0.281 1015 E C -0.345 176.311 176.600 0.093 0.000 1.027 1015 E CA -0.101 56.358 56.400 0.099 0.000 0.838 1015 E CB 0.795 30.533 29.700 0.063 0.000 1.066 1015 E HN 0.934 nan 8.360 nan 0.000 0.401 1016 G N 1.942 110.784 108.800 0.070 0.000 2.815 1016 G HA2 0.481 4.441 3.960 -0.000 0.000 0.305 1016 G HA3 0.481 4.441 3.960 -0.000 0.000 0.305 1016 G C -1.384 173.537 174.900 0.036 0.000 1.277 1016 G CA -0.470 44.660 45.100 0.050 0.000 0.795 1016 G HN 0.423 nan 8.290 nan 0.000 0.528 1017 V N 0.128 120.058 119.914 0.027 0.000 2.588 1017 V HA 0.736 4.856 4.120 -0.000 0.000 0.304 1017 V C -0.089 176.018 176.094 0.022 0.000 1.042 1017 V CA -0.546 61.768 62.300 0.022 0.000 0.877 1017 V CB 1.468 33.300 31.823 0.015 0.000 0.996 1017 V HN 1.347 nan 8.190 nan 0.000 0.425 1018 A N 4.033 126.867 122.820 0.023 0.000 2.399 1018 A HA 0.547 4.867 4.320 -0.000 0.000 0.327 1018 A C -0.062 177.531 177.584 0.016 0.000 1.367 1018 A CA -0.623 51.427 52.037 0.023 0.000 0.842 1018 A CB 0.188 19.207 19.000 0.032 0.000 1.142 1018 A HN 0.776 nan 8.150 nan 0.000 0.495 1019 K N 1.191 121.597 120.400 0.011 0.000 2.416 1019 K HA 0.338 4.658 4.320 -0.000 0.000 0.283 1019 K C 1.049 177.651 176.600 0.003 0.000 1.037 1019 K CA 1.111 57.402 56.287 0.006 0.000 0.995 1019 K CB 0.408 32.910 32.500 0.003 0.000 0.938 1019 K HN 1.407 nan 8.250 nan 0.000 0.475 1020 G N 1.973 110.774 108.800 0.001 0.000 2.272 1020 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.280 1020 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.280 1020 G C 0.327 175.222 174.900 -0.008 0.000 1.067 1020 G CA 0.221 45.318 45.100 -0.005 0.000 0.902 1020 G HN 0.454 nan 8.290 nan 0.000 0.500 1021 V N -1.887 118.025 119.914 -0.003 0.000 3.359 1021 V HA 0.251 4.371 4.120 -0.000 0.000 0.245 1021 V C 1.394 177.483 176.094 -0.009 0.000 1.247 1021 V CA 0.627 62.924 62.300 -0.006 0.000 1.145 1021 V CB 0.761 32.591 31.823 0.011 0.000 0.906 1021 V HN 0.278 nan 8.190 nan 0.000 0.464 1022 V N 2.945 122.859 119.914 -0.000 0.000 2.385 1022 V HA 0.286 4.406 4.120 -0.000 0.000 0.269 1022 V C 0.078 176.167 176.094 -0.008 0.000 1.043 1022 V CA -0.956 61.343 62.300 -0.001 0.000 0.906 1022 V CB 0.781 32.610 31.823 0.010 0.000 0.995 1022 V HN 0.463 nan 8.190 nan 0.000 0.467 1023 K N 4.278 124.669 120.400 -0.016 0.000 2.476 1023 K HA -0.014 4.306 4.320 -0.000 0.000 0.273 1023 K C 0.415 177.007 176.600 -0.013 0.000 1.056 1023 K CA 0.798 57.074 56.287 -0.019 0.000 1.150 1023 K CB -0.594 31.892 32.500 -0.023 0.000 0.838 1023 K HN 0.828 nan 8.250 nan 0.000 0.486 1024 D N 0.410 120.803 120.400 -0.013 0.000 3.077 1024 D HA -0.169 4.471 4.640 -0.000 0.000 0.212 1024 D C -0.824 175.473 176.300 -0.006 0.000 1.125 1024 D CA 1.164 55.158 54.000 -0.010 0.000 0.970 1024 D CB -0.820 39.974 40.800 -0.010 0.000 1.110 1024 D HN 0.665 nan 8.370 nan 0.000 0.419 1025 E N -0.334 119.864 120.200 -0.004 0.000 2.141 1025 E HA 0.199 4.549 4.350 -0.000 0.000 0.259 1025 E C -1.781 174.819 176.600 -0.001 0.000 0.883 1025 E CA -1.795 54.605 56.400 -0.001 0.000 0.744 1025 E CB 1.671 31.373 29.700 0.003 0.000 1.150 1025 E HN -0.026 nan 8.360 nan 0.000 0.420 1026 P HA -0.173 nan 4.420 nan 0.000 0.216 1026 P C -0.311 176.990 177.300 0.001 0.000 1.154 1026 P CA 1.549 64.649 63.100 -0.001 0.000 0.865 1026 P CB 0.440 32.139 31.700 -0.000 0.000 0.789 1027 E N -2.527 117.675 120.200 0.004 0.000 2.416 1027 E HA 0.530 4.880 4.350 -0.000 0.000 0.273 1027 E C -0.943 175.662 176.600 0.009 0.000 0.935 1027 E CA -0.690 55.714 56.400 0.007 0.000 0.784 1027 E CB 2.267 31.971 29.700 0.007 0.000 1.301 1027 E HN -0.228 nan 8.360 nan 0.000 0.454 1028 T N 0.561 115.123 114.554 0.013 0.000 2.956 1028 T HA 0.386 4.736 4.350 -0.000 0.000 0.312 1028 T C -0.583 174.129 174.700 0.020 0.000 1.151 1028 T CA -0.970 61.140 62.100 0.016 0.000 1.024 1028 T CB 1.346 70.226 68.868 0.019 0.000 1.140 1028 T HN 0.256 nan 8.240 nan 0.000 0.473 1029 R N 1.337 121.848 120.500 0.019 0.000 2.389 1029 R HA 0.631 4.971 4.340 -0.000 0.000 0.295 1029 R C -0.019 176.296 176.300 0.026 0.000 1.075 1029 R CA -0.540 55.572 56.100 0.020 0.000 1.005 1029 R CB 0.718 31.026 30.300 0.013 0.000 0.987 1029 R HN 0.580 nan 8.270 nan 0.000 0.452 1030 V N -1.177 118.757 119.914 0.034 0.000 3.159 1030 V HA 0.845 4.965 4.120 -0.000 0.000 0.308 1030 V C -0.712 175.412 176.094 0.050 0.000 1.190 1030 V CA -1.283 61.043 62.300 0.043 0.000 1.037 1030 V CB 2.007 33.860 31.823 0.051 0.000 1.060 1030 V HN 0.800 nan 8.190 nan 0.000 0.437 1031 A N 3.319 126.170 122.820 0.052 0.000 2.309 1031 A HA 0.867 5.187 4.320 -0.000 0.000 0.298 1031 A C -0.402 177.229 177.584 0.079 0.000 1.165 1031 A CA -0.639 51.433 52.037 0.057 0.000 0.821 1031 A CB 0.372 19.393 19.000 0.036 0.000 1.102 1031 A HN 0.862 nan 8.150 nan 0.000 0.500 1032 I N 1.510 122.145 120.570 0.108 0.000 2.465 1032 I HA 0.426 4.596 4.170 -0.000 0.000 0.291 1032 I C -0.011 176.191 176.117 0.140 0.000 1.014 1032 I CA -0.495 60.888 61.300 0.139 0.000 1.093 1032 I CB 1.625 39.730 38.000 0.175 0.000 1.267 1032 I HN 0.748 nan 8.210 nan 0.000 0.431 1033 K N 3.893 124.374 120.400 0.135 0.000 2.182 1033 K HA 0.564 4.884 4.320 -0.000 0.000 0.262 1033 K C -0.403 176.307 176.600 0.182 0.000 0.957 1033 K CA -0.355 55.999 56.287 0.112 0.000 0.842 1033 K CB 1.501 34.062 32.500 0.102 0.000 1.099 1033 K HN 0.794 nan 8.250 nan 0.000 0.438 1034 T N 0.058 114.718 114.554 0.176 0.000 2.770 1034 T HA 0.409 4.759 4.350 -0.000 0.000 0.283 1034 T C -0.387 174.418 174.700 0.174 0.000 0.988 1034 T CA -0.865 61.358 62.100 0.205 0.000 0.957 1034 T CB 1.015 70.056 68.868 0.289 0.000 0.930 1034 T HN 0.161 nan 8.240 nan 0.000 0.443 1035 V N 5.632 125.660 119.914 0.190 0.000 2.383 1035 V HA 0.348 4.468 4.120 -0.000 0.000 0.275 1035 V C 1.034 177.199 176.094 0.117 0.000 1.036 1035 V CA -1.158 61.251 62.300 0.183 0.000 0.889 1035 V CB 0.234 32.200 31.823 0.238 0.000 0.985 1035 V HN 1.053 nan 8.190 nan 0.000 0.459 1036 N N 3.215 121.975 118.700 0.100 0.000 2.327 1036 N HA 0.172 4.912 4.740 -0.000 0.000 0.257 1036 N C 0.565 176.109 175.510 0.056 0.000 1.281 1036 N CA -0.647 52.448 53.050 0.074 0.000 0.942 1036 N CB 1.395 39.922 38.487 0.067 0.000 1.199 1036 N HN 0.630 nan 8.380 nan 0.000 0.532 1037 E N -0.171 120.055 120.200 0.043 0.000 2.077 1037 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 1037 E C 1.011 177.632 176.600 0.034 0.000 0.989 1037 E CA 1.149 57.569 56.400 0.033 0.000 0.800 1037 E CB -0.226 29.491 29.700 0.028 0.000 0.746 1037 E HN 0.715 nan 8.360 nan 0.000 0.452 1038 A N 1.069 123.911 122.820 0.037 0.000 2.626 1038 A HA 0.260 4.580 4.320 -0.000 0.000 0.238 1038 A C 0.214 177.824 177.584 0.042 0.000 1.641 1038 A CA 0.565 52.623 52.037 0.035 0.000 1.449 1038 A CB -0.642 18.378 19.000 0.032 0.000 0.888 1038 A HN 0.161 nan 8.150 nan 0.000 0.628 1039 A N 0.876 123.723 122.820 0.045 0.000 2.457 1039 A HA 0.589 4.909 4.320 -0.000 0.000 0.283 1039 A C 0.436 178.045 177.584 0.041 0.000 1.166 1039 A CA -0.008 52.064 52.037 0.058 0.000 0.740 1039 A CB 0.070 19.122 19.000 0.086 0.000 1.181 1039 A HN 1.183 nan 8.150 nan 0.000 0.446 1040 S N 2.493 118.215 115.700 0.038 0.000 2.574 1040 S HA -0.094 4.376 4.470 -0.000 0.000 0.302 1040 S C 1.261 175.864 174.600 0.004 0.000 1.270 1040 S CA 0.608 58.822 58.200 0.023 0.000 1.040 1040 S CB 0.001 63.216 63.200 0.025 0.000 0.767 1040 S HN 0.839 nan 8.310 nan 0.000 0.494 1041 M N 1.263 120.859 119.600 -0.008 0.000 2.117 1041 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 1041 M C 2.585 178.844 176.300 -0.069 0.000 1.065 1041 M CA 1.436 56.714 55.300 -0.036 0.000 1.114 1041 M CB -0.251 32.340 32.600 -0.016 0.000 1.361 1041 M HN 0.841 nan 8.290 nan 0.000 0.408 1042 R N 0.624 121.101 120.500 -0.039 0.000 2.094 1042 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 1042 R C 1.804 178.074 176.300 -0.050 0.000 1.137 1042 R CA 1.842 57.915 56.100 -0.045 0.000 0.943 1042 R CB -0.703 29.591 30.300 -0.010 0.000 0.850 1042 R HN 0.480 nan 8.270 nan 0.000 0.433 1043 E N 0.150 120.349 120.200 -0.002 0.000 2.058 1043 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 1043 E C 2.124 178.691 176.600 -0.056 0.000 0.997 1043 E CA 1.025 57.454 56.400 0.049 0.000 0.801 1043 E CB -0.256 29.519 29.700 0.126 0.000 0.746 1043 E HN 0.307 nan 8.360 nan 0.000 0.450 1044 R N 0.386 120.835 120.500 -0.085 0.000 2.115 1044 R HA -0.064 4.276 4.340 -0.000 0.000 0.230 1044 R C 2.449 178.550 176.300 -0.332 0.000 1.111 1044 R CA 0.729 56.728 56.100 -0.170 0.000 0.976 1044 R CB -0.122 30.095 30.300 -0.139 0.000 0.870 1044 R HN 0.134 nan 8.270 nan 0.000 0.445 1045 I N 0.494 120.858 120.570 -0.343 0.000 2.286 1045 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 1045 I C 2.592 178.461 176.117 -0.414 0.000 1.104 1045 I CA 1.011 61.987 61.300 -0.540 0.000 1.397 1045 I CB -0.244 37.386 38.000 -0.616 0.000 1.072 1045 I HN 0.267 nan 8.210 nan 0.000 0.417 1046 E N 1.051 121.098 120.200 -0.255 0.000 2.038 1046 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 1046 E C 2.226 178.704 176.600 -0.204 0.000 1.000 1046 E CA 1.787 58.092 56.400 -0.159 0.000 0.803 1046 E CB -0.295 29.384 29.700 -0.035 0.000 0.750 1046 E HN 0.523 nan 8.360 nan 0.000 0.448 1047 F N 0.943 120.488 119.950 -0.676 0.000 2.065 1047 F HA -0.298 4.229 4.527 -0.000 0.000 0.298 1047 F C 2.159 177.646 175.800 -0.523 0.000 1.112 1047 F CA 0.698 58.081 58.000 -1.028 0.000 1.212 1047 F CB -0.046 37.969 39.000 -1.641 0.000 0.975 1047 F HN 0.056 nan 8.300 nan 0.000 0.476 1048 L N 0.989 121.861 121.223 -0.585 0.000 2.081 1048 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 1048 L C 1.880 178.561 176.870 -0.315 0.000 1.080 1048 L CA 1.927 56.429 54.840 -0.564 0.000 0.754 1048 L CB -1.966 39.793 42.059 -0.500 0.000 0.893 1048 L HN 0.308 nan 8.230 nan 0.000 0.433 1049 N N -0.732 117.824 118.700 -0.240 0.000 2.109 1049 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 1049 N C 1.696 177.132 175.510 -0.123 0.000 1.034 1049 N CA 0.859 53.819 53.050 -0.150 0.000 0.846 1049 N CB 0.084 38.503 38.487 -0.113 0.000 1.010 1049 N HN 0.287 nan 8.380 nan 0.000 0.425 1050 E N 0.536 120.695 120.200 -0.067 0.000 2.082 1050 E HA -0.323 4.027 4.350 -0.000 0.000 0.215 1050 E C 1.950 178.493 176.600 -0.095 0.000 1.048 1050 E CA 1.515 57.900 56.400 -0.024 0.000 0.869 1050 E CB -0.261 29.498 29.700 0.099 0.000 0.773 1050 E HN 0.436 nan 8.360 nan 0.000 0.466 1051 A N 0.467 123.248 122.820 -0.064 0.000 2.032 1051 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 1051 A C 2.209 179.589 177.584 -0.339 0.000 1.165 1051 A CA 1.856 53.805 52.037 -0.147 0.000 0.645 1051 A CB -0.524 18.400 19.000 -0.127 0.000 0.807 1051 A HN 0.222 nan 8.150 nan 0.000 0.453 1052 S N -1.143 114.362 115.700 -0.325 0.000 2.453 1052 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 1052 S C 1.665 176.008 174.600 -0.428 0.000 1.005 1052 S CA 1.213 59.178 58.200 -0.392 0.000 0.949 1052 S CB -0.285 62.763 63.200 -0.253 0.000 0.774 1052 S HN 0.335 nan 8.310 nan 0.000 0.510 1053 V N 1.933 121.590 119.914 -0.430 0.000 2.725 1053 V HA -0.036 4.084 4.120 -0.000 0.000 0.247 1053 V C 2.398 177.872 176.094 -1.032 0.000 1.058 1053 V CA 0.883 62.821 62.300 -0.604 0.000 1.080 1053 V CB -0.457 31.058 31.823 -0.513 0.000 0.713 1053 V HN 0.448 nan 8.190 nan 0.000 0.465 1054 M N 0.916 120.027 119.600 -0.814 0.000 2.226 1054 M HA -0.310 4.170 4.480 -0.000 0.000 0.257 1054 M C 2.680 178.565 176.300 -0.692 0.000 1.070 1054 M CA 3.008 57.857 55.300 -0.752 0.000 1.087 1054 M CB -1.464 30.922 32.600 -0.357 0.000 1.278 1054 M HN 0.471 nan 8.290 nan 0.000 0.426 1055 K N 0.475 120.465 120.400 -0.682 0.000 2.117 1055 K HA -0.292 4.028 4.320 -0.000 0.000 0.215 1055 K C 1.724 178.202 176.600 -0.204 0.000 1.053 1055 K CA 2.643 58.480 56.287 -0.749 0.000 0.935 1055 K CB -1.758 29.858 32.500 -1.473 0.000 0.719 1055 K HN 0.679 nan 8.250 nan 0.000 0.460 1056 E N -0.992 118.995 120.200 -0.356 0.000 2.068 1056 E HA -0.143 4.207 4.350 -0.000 0.000 0.207 1056 E C 0.001 176.639 176.600 0.064 0.000 1.032 1056 E CA 1.189 57.489 56.400 -0.167 0.000 0.839 1056 E CB -0.294 29.218 29.700 -0.314 0.000 0.758 1056 E HN 0.575 nan 8.360 nan 0.000 0.457 1057 F N 1.061 121.008 119.950 -0.006 0.000 2.571 1057 F HA 0.153 4.680 4.527 -0.000 0.000 0.384 1057 F C 0.168 176.012 175.800 0.073 0.000 1.058 1057 F CA 0.024 58.100 58.000 0.127 0.000 1.200 1057 F CB -0.247 38.727 39.000 -0.042 0.000 1.077 1057 F HN -0.012 nan 8.300 nan 0.000 0.558 1058 N N 2.563 121.423 118.700 0.266 0.000 2.804 1058 N HA 0.396 5.136 4.740 -0.000 0.000 0.251 1058 N C -1.700 173.673 175.510 -0.228 0.000 1.250 1058 N CA -0.159 52.928 53.050 0.061 0.000 0.820 1058 N CB 0.560 39.126 38.487 0.132 0.000 1.156 1058 N HN 0.702 nan 8.380 nan 0.000 0.512 1059 C N 1.992 121.053 119.300 -0.399 0.000 2.626 1059 C HA 0.385 4.845 4.460 -0.000 0.000 0.310 1059 C C 1.575 176.430 174.990 -0.224 0.000 1.191 1059 C CA -0.506 58.184 59.018 -0.547 0.000 1.517 1059 C CB 0.858 27.918 27.740 -1.133 0.000 2.102 1059 C HN 0.901 nan 8.230 nan 0.000 0.479 1060 H N 1.242 120.128 119.070 -0.306 0.000 2.457 1060 H HA 0.031 4.587 4.556 -0.000 0.000 0.294 1060 H C 1.104 176.220 175.328 -0.352 0.000 1.064 1060 H CA 2.189 58.032 56.048 -0.342 0.000 1.330 1060 H CB -0.062 29.425 29.762 -0.458 0.000 1.395 1060 H HN 0.865 nan 8.280 nan 0.000 0.541 1061 H N -1.394 117.615 119.070 -0.102 0.000 2.505 1061 H HA 0.348 4.904 4.556 -0.000 0.000 0.286 1061 H C -0.560 174.727 175.328 -0.068 0.000 1.072 1061 H CA -0.204 55.778 56.048 -0.110 0.000 1.141 1061 H CB 0.835 30.591 29.762 -0.010 0.000 1.550 1061 H HN 0.003 nan 8.280 nan 0.000 0.547 1062 V N 1.969 121.881 119.914 -0.005 0.000 2.409 1062 V HA 0.104 4.224 4.120 -0.000 0.000 0.291 1062 V C 0.056 176.211 176.094 0.101 0.000 1.020 1062 V CA -1.063 61.290 62.300 0.089 0.000 0.848 1062 V CB 1.995 33.846 31.823 0.045 0.000 0.990 1062 V HN 0.042 nan 8.190 nan 0.000 0.430 1063 V N 6.112 126.118 119.914 0.153 0.000 2.509 1063 V HA 0.060 4.179 4.120 -0.000 0.000 0.297 1063 V C 0.949 177.136 176.094 0.156 0.000 1.014 1063 V CA 0.248 62.621 62.300 0.121 0.000 1.127 1063 V CB -0.390 31.500 31.823 0.112 0.000 0.925 1063 V HN 0.718 nan 8.190 nan 0.000 0.480 1064 R N 3.415 123.978 120.500 0.106 0.000 2.441 1064 R HA 0.420 4.759 4.340 -0.000 0.000 0.284 1064 R C -0.350 176.021 176.300 0.119 0.000 1.070 1064 R CA -0.756 55.412 56.100 0.114 0.000 1.047 1064 R CB 1.263 31.622 30.300 0.098 0.000 1.016 1064 R HN 0.668 nan 8.270 nan 0.000 0.477 1065 L N 4.681 125.977 121.223 0.121 0.000 2.281 1065 L HA 0.158 4.498 4.340 -0.000 0.000 0.285 1065 L C 0.706 177.712 176.870 0.226 0.000 1.074 1065 L CA 0.007 54.922 54.840 0.125 0.000 0.817 1065 L CB 0.664 42.736 42.059 0.021 0.000 1.168 1065 L HN 0.705 nan 8.230 nan 0.000 0.434 1066 L N 5.146 126.479 121.223 0.185 0.000 2.249 1066 L HA 0.442 4.782 4.340 -0.000 0.000 0.207 1066 L C 0.986 177.991 176.870 0.224 0.000 1.090 1066 L CA 0.561 55.506 54.840 0.175 0.000 0.802 1066 L CB -0.252 41.870 42.059 0.104 0.000 0.947 1066 L HN 0.862 nan 8.230 nan 0.000 0.453 1067 G N -0.800 108.146 108.800 0.243 0.000 2.336 1067 G HA2 0.307 4.267 3.960 -0.000 0.000 0.300 1067 G HA3 0.307 4.267 3.960 -0.000 0.000 0.300 1067 G C -2.139 172.853 174.900 0.154 0.000 1.375 1067 G CA -0.082 45.177 45.100 0.265 0.000 0.885 1067 G HN -0.197 nan 8.290 nan 0.000 0.599 1068 V N -0.199 119.792 119.914 0.129 0.000 2.686 1068 V HA 0.728 4.848 4.120 -0.000 0.000 0.306 1068 V C -0.592 175.522 176.094 0.034 0.000 1.065 1068 V CA -0.744 61.585 62.300 0.049 0.000 0.894 1068 V CB 1.672 33.478 31.823 -0.028 0.000 1.004 1068 V HN 1.151 nan 8.190 nan 0.000 0.424 1069 V N 6.965 126.892 119.914 0.021 0.000 2.389 1069 V HA 0.305 4.425 4.120 -0.000 0.000 0.264 1069 V C 1.311 177.396 176.094 -0.015 0.000 1.049 1069 V CA 0.747 63.053 62.300 0.010 0.000 0.932 1069 V CB 0.447 32.281 31.823 0.018 0.000 1.011 1069 V HN 1.120 nan 8.190 nan 0.000 0.475 1070 S N 2.870 118.555 115.700 -0.026 0.000 2.499 1070 S HA 0.106 4.576 4.470 -0.000 0.000 0.225 1070 S C 0.824 175.393 174.600 -0.051 0.000 1.050 1070 S CA -0.290 57.876 58.200 -0.056 0.000 0.928 1070 S CB -0.057 63.101 63.200 -0.071 0.000 0.803 1070 S HN 0.609 nan 8.310 nan 0.000 0.506 1071 Q N 2.045 121.828 119.800 -0.029 0.000 2.262 1071 Q HA 0.590 4.930 4.340 -0.000 0.000 0.272 1071 Q C 0.444 176.438 176.000 -0.010 0.000 1.076 1071 Q CA 1.141 56.933 55.803 -0.018 0.000 0.905 1071 Q CB 0.414 29.149 28.738 -0.005 0.000 1.182 1071 Q HN 0.671 nan 8.270 nan 0.000 0.390 1072 G N 1.795 110.590 108.800 -0.009 0.000 2.320 1072 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.274 1072 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.274 1072 G C -0.417 174.483 174.900 0.001 0.000 1.324 1072 G CA -0.375 44.725 45.100 -0.000 0.000 0.957 1072 G HN 0.393 nan 8.290 nan 0.000 0.481 1073 Q N 0.008 119.813 119.800 0.008 0.000 2.263 1073 Q HA 0.305 4.645 4.340 -0.000 0.000 0.196 1073 Q C -1.750 174.261 176.000 0.018 0.000 0.965 1073 Q CA 1.427 57.238 55.803 0.013 0.000 0.851 1073 Q CB -0.446 28.302 28.738 0.016 0.000 0.948 1073 Q HN 0.492 nan 8.270 nan 0.000 0.516 1074 P HA 0.238 nan 4.420 nan 0.000 0.297 1074 P C -1.242 176.081 177.300 0.038 0.000 1.342 1074 P CA -0.152 62.975 63.100 0.045 0.000 0.801 1074 P CB 1.430 33.168 31.700 0.064 0.000 0.920 1075 T N 4.372 118.941 114.554 0.024 0.000 2.902 1075 T HA 0.154 4.504 4.350 -0.000 0.000 0.301 1075 T C 0.396 175.123 174.700 0.045 0.000 1.012 1075 T CA 0.340 62.438 62.100 -0.003 0.000 1.151 1075 T CB -0.152 68.672 68.868 -0.074 0.000 0.946 1075 T HN 0.198 nan 8.240 nan 0.000 0.542 1076 L N 4.053 125.298 121.223 0.037 0.000 2.295 1076 L HA 0.570 4.910 4.340 -0.000 0.000 0.285 1076 L C -0.336 176.576 176.870 0.071 0.000 1.035 1076 L CA -1.002 53.884 54.840 0.076 0.000 0.806 1076 L CB 1.542 43.641 42.059 0.066 0.000 1.214 1076 L HN 0.326 nan 8.230 nan 0.000 0.426 1077 V N 4.361 124.352 119.914 0.128 0.000 2.417 1077 V HA 0.400 4.520 4.120 -0.000 0.000 0.291 1077 V C -0.062 176.105 176.094 0.123 0.000 1.024 1077 V CA -0.568 61.810 62.300 0.129 0.000 0.861 1077 V CB 2.059 34.024 31.823 0.236 0.000 0.985 1077 V HN 0.407 nan 8.190 nan 0.000 0.436 1078 I N 5.745 126.378 120.570 0.105 0.000 2.337 1078 I HA 0.446 4.616 4.170 -0.000 0.000 0.285 1078 I C -0.065 176.112 176.117 0.100 0.000 1.041 1078 I CA -0.490 60.868 61.300 0.098 0.000 1.199 1078 I CB 0.912 38.965 38.000 0.088 0.000 1.370 1078 I HN 0.441 nan 8.210 nan 0.000 0.470 1079 M N 3.577 123.232 119.600 0.091 0.000 2.423 1079 M HA 0.312 4.792 4.480 -0.000 0.000 0.335 1079 M C 0.489 176.831 176.300 0.069 0.000 1.177 1079 M CA -0.707 54.644 55.300 0.085 0.000 1.038 1079 M CB 1.358 34.006 32.600 0.080 0.000 1.641 1079 M HN 0.518 nan 8.290 nan 0.000 0.455 1080 E N 2.174 122.415 120.200 0.068 0.000 2.608 1080 E HA -0.017 4.333 4.350 -0.000 0.000 0.259 1080 E C -1.066 175.555 176.600 0.035 0.000 0.951 1080 E CA -0.001 56.429 56.400 0.050 0.000 0.945 1080 E CB 0.594 30.323 29.700 0.049 0.000 0.916 1080 E HN 0.549 nan 8.360 nan 0.000 0.477 1081 L N 5.614 126.852 121.223 0.025 0.000 2.367 1081 L HA 0.132 4.472 4.340 -0.000 0.000 0.275 1081 L C -0.375 176.491 176.870 -0.007 0.000 1.129 1081 L CA -0.220 54.628 54.840 0.012 0.000 0.839 1081 L CB 0.666 42.732 42.059 0.012 0.000 1.133 1081 L HN 0.737 nan 8.230 nan 0.000 0.453 1082 M N 4.851 124.441 119.600 -0.017 0.000 2.325 1082 M HA 0.120 4.600 4.480 -0.000 0.000 0.305 1082 M C 1.242 177.510 176.300 -0.053 0.000 1.047 1082 M CA -0.362 54.914 55.300 -0.040 0.000 0.981 1082 M CB 0.520 33.098 32.600 -0.037 0.000 1.307 1082 M HN 0.650 nan 8.290 nan 0.000 0.418 1083 T N -0.692 113.822 114.554 -0.067 0.000 2.869 1083 T HA -0.134 4.216 4.350 -0.000 0.000 0.270 1083 T C 1.303 175.961 174.700 -0.070 0.000 1.082 1083 T CA 1.272 63.332 62.100 -0.066 0.000 1.123 1083 T CB -0.061 68.758 68.868 -0.082 0.000 0.856 1083 T HN 0.622 nan 8.240 nan 0.000 0.499 1084 R N 0.959 121.400 120.500 -0.098 0.000 2.468 1084 R HA 0.474 4.814 4.340 -0.000 0.000 0.280 1084 R C 1.517 177.807 176.300 -0.017 0.000 0.963 1084 R CA 0.101 56.159 56.100 -0.069 0.000 1.083 1084 R CB 0.294 30.502 30.300 -0.153 0.000 1.200 1084 R HN 0.550 nan 8.270 nan 0.000 0.541 1085 G N 2.339 111.124 108.800 -0.026 0.000 2.562 1085 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.250 1085 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.250 1085 G C -0.828 174.070 174.900 -0.003 0.000 1.269 1085 G CA -0.104 44.993 45.100 -0.006 0.000 0.919 1085 G HN 0.469 nan 8.290 nan 0.000 0.574 1086 D N 0.514 120.924 120.400 0.015 0.000 2.304 1086 D HA 0.323 4.963 4.640 -0.000 0.000 0.250 1086 D C 1.696 178.036 176.300 0.066 0.000 1.107 1086 D CA -0.367 53.643 54.000 0.016 0.000 0.885 1086 D CB 1.821 42.620 40.800 -0.001 0.000 1.192 1086 D HN 0.547 nan 8.370 nan 0.000 0.436 1087 L N 2.589 123.845 121.223 0.056 0.000 2.089 1087 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 1087 L C 2.265 179.232 176.870 0.161 0.000 1.079 1087 L CA 1.894 56.805 54.840 0.117 0.000 0.758 1087 L CB -0.755 41.349 42.059 0.075 0.000 0.891 1087 L HN 0.552 nan 8.230 nan 0.000 0.433 1088 K N -1.082 119.381 120.400 0.104 0.000 2.002 1088 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 1088 K C 2.115 178.773 176.600 0.097 0.000 1.048 1088 K CA 1.758 58.106 56.287 0.102 0.000 0.930 1088 K CB -0.201 32.344 32.500 0.076 0.000 0.714 1088 K HN 0.398 nan 8.250 nan 0.000 0.438 1089 S N 0.324 116.077 115.700 0.089 0.000 2.353 1089 S HA -0.205 4.265 4.470 -0.000 0.000 0.222 1089 S C 1.706 176.366 174.600 0.100 0.000 1.035 1089 S CA 1.648 59.894 58.200 0.077 0.000 1.025 1089 S CB -0.620 62.621 63.200 0.067 0.000 0.902 1089 S HN 0.428 nan 8.310 nan 0.000 0.440 1090 Y N 2.323 122.639 120.300 0.027 0.000 2.081 1090 Y HA -0.210 4.340 4.550 -0.000 0.000 0.280 1090 Y C 1.947 177.869 175.900 0.036 0.000 1.163 1090 Y CA 1.552 59.677 58.100 0.041 0.000 1.135 1090 Y CB -0.624 37.870 38.460 0.056 0.000 0.970 1090 Y HN 0.157 nan 8.280 nan 0.000 0.498 1091 L N -0.216 121.032 121.223 0.041 0.000 2.127 1091 L HA -0.270 4.070 4.340 -0.000 0.000 0.211 1091 L C 2.551 179.354 176.870 -0.112 0.000 1.089 1091 L CA 1.172 55.972 54.840 -0.067 0.000 0.757 1091 L CB -0.517 41.573 42.059 0.052 0.000 0.899 1091 L HN 0.216 nan 8.230 nan 0.000 0.434 1092 R N -0.091 120.374 120.500 -0.058 0.000 2.073 1092 R HA -0.069 4.271 4.340 -0.000 0.000 0.229 1092 R C 2.502 178.748 176.300 -0.089 0.000 1.120 1092 R CA 1.523 57.592 56.100 -0.052 0.000 0.967 1092 R CB -1.261 29.032 30.300 -0.011 0.000 0.862 1092 R HN 0.474 nan 8.270 nan 0.000 0.436 1093 S N 0.973 116.605 115.700 -0.113 0.000 2.493 1093 S HA -0.042 4.427 4.470 -0.000 0.000 0.243 1093 S C 1.848 176.352 174.600 -0.160 0.000 0.991 1093 S CA 0.765 58.896 58.200 -0.115 0.000 0.957 1093 S CB -0.395 62.755 63.200 -0.084 0.000 0.756 1093 S HN 0.262 nan 8.310 nan 0.000 0.521 1094 L N 0.253 121.341 121.223 -0.226 0.000 2.591 1094 L HA 0.219 4.559 4.340 -0.000 0.000 0.228 1094 L C 1.059 177.852 176.870 -0.129 0.000 1.133 1094 L CA 0.011 54.727 54.840 -0.205 0.000 0.880 1094 L CB -0.225 41.675 42.059 -0.266 0.000 1.033 1094 L HN 0.218 nan 8.230 nan 0.000 0.450 1095 R N 0.452 120.890 120.500 -0.103 0.000 2.528 1095 R HA 0.226 4.566 4.340 -0.000 0.000 0.271 1095 R C -1.172 175.092 176.300 -0.060 0.000 1.056 1095 R CA -1.451 54.602 56.100 -0.077 0.000 1.117 1095 R CB 0.052 30.313 30.300 -0.065 0.000 1.085 1095 R HN -0.146 nan 8.270 nan 0.000 0.530 1096 P HA -0.082 nan 4.420 nan 0.000 0.206 1096 P C -0.195 177.086 177.300 -0.033 0.000 1.209 1096 P CA 1.282 64.358 63.100 -0.041 0.000 0.923 1096 P CB 0.337 32.013 31.700 -0.039 0.000 0.761 1097 E N -1.130 119.052 120.200 -0.029 0.000 2.415 1097 E HA 0.170 4.520 4.350 -0.000 0.000 0.287 1097 E C 0.019 176.607 176.600 -0.020 0.000 1.068 1097 E CA -0.220 56.167 56.400 -0.022 0.000 0.732 1097 E CB -0.506 29.183 29.700 -0.019 0.000 1.168 1097 E HN 0.196 nan 8.360 nan 0.000 0.418 1105 A N 1.276 124.046 122.820 -0.082 0.000 1.988 1105 A HA 0.005 4.325 4.320 -0.000 0.000 0.365 1105 A C -2.612 174.917 177.584 -0.092 0.000 1.780 1105 A CA 0.458 52.446 52.037 -0.082 0.000 1.749 1105 A CB -1.283 17.677 19.000 -0.067 0.000 1.167 1105 A HN 0.492 nan 8.150 nan 0.000 0.347 1106 P HA 0.719 nan 4.420 nan 0.000 0.290 1106 P C -2.741 174.513 177.300 -0.077 0.000 1.302 1106 P CA -1.854 61.188 63.100 -0.096 0.000 0.893 1106 P CB 0.177 31.811 31.700 -0.110 0.000 1.272 1107 P HA 0.017 nan 4.420 nan 0.000 0.269 1107 P C 0.101 177.371 177.300 -0.050 0.000 1.211 1107 P CA 0.235 63.305 63.100 -0.051 0.000 0.781 1107 P CB -0.095 31.591 31.700 -0.024 0.000 0.877 1108 S N 1.555 117.226 115.700 -0.047 0.000 2.558 1108 S HA -0.012 4.458 4.470 -0.000 0.000 0.288 1108 S C 1.391 175.966 174.600 -0.041 0.000 1.318 1108 S CA -0.641 57.532 58.200 -0.044 0.000 1.056 1108 S CB -0.024 63.151 63.200 -0.042 0.000 0.853 1108 S HN 0.490 nan 8.310 nan 0.000 0.505 1109 L N 2.111 123.310 121.223 -0.040 0.000 2.064 1109 L HA -0.208 4.132 4.340 -0.000 0.000 0.216 1109 L C 2.691 179.538 176.870 -0.039 0.000 1.077 1109 L CA 2.347 57.163 54.840 -0.039 0.000 0.766 1109 L CB -0.949 41.089 42.059 -0.035 0.000 0.890 1109 L HN 0.998 nan 8.230 nan 0.000 0.435 1110 S N -0.793 114.885 115.700 -0.037 0.000 2.368 1110 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 1110 S C 1.911 176.489 174.600 -0.038 0.000 1.030 1110 S CA 1.154 59.332 58.200 -0.037 0.000 0.999 1110 S CB 0.007 63.188 63.200 -0.032 0.000 0.844 1110 S HN 0.372 nan 8.310 nan 0.000 0.459 1111 K N 0.756 121.136 120.400 -0.034 0.000 2.057 1111 K HA 0.028 4.348 4.320 -0.000 0.000 0.206 1111 K C 2.146 178.735 176.600 -0.017 0.000 1.050 1111 K CA 1.184 57.456 56.287 -0.025 0.000 0.935 1111 K CB -0.576 31.909 32.500 -0.024 0.000 0.715 1111 K HN 0.467 nan 8.250 nan 0.000 0.439 1112 M N 0.335 119.921 119.600 -0.024 0.000 2.086 1112 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 1112 M C 1.961 178.240 176.300 -0.035 0.000 1.067 1112 M CA 1.139 56.424 55.300 -0.026 0.000 1.116 1112 M CB -0.234 32.342 32.600 -0.040 0.000 1.348 1112 M HN -0.031 nan 8.290 nan 0.000 0.407 1113 I N 0.353 120.895 120.570 -0.046 0.000 2.335 1113 I HA -0.274 3.896 4.170 -0.000 0.000 0.251 1113 I C 2.396 178.463 176.117 -0.085 0.000 1.129 1113 I CA 1.590 62.854 61.300 -0.060 0.000 1.402 1113 I CB -1.288 36.672 38.000 -0.068 0.000 1.069 1113 I HN 0.376 nan 8.210 nan 0.000 0.424 1114 Q N 0.607 120.361 119.800 -0.075 0.000 2.020 1114 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 1114 Q C 2.318 178.274 176.000 -0.074 0.000 0.974 1114 Q CA 1.628 57.376 55.803 -0.092 0.000 0.829 1114 Q CB -0.195 28.517 28.738 -0.044 0.000 0.894 1114 Q HN 0.399 nan 8.270 nan 0.000 0.433 1115 M N -0.506 119.077 119.600 -0.028 0.000 2.080 1115 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 1115 M C 2.147 178.453 176.300 0.010 0.000 1.068 1115 M CA 1.726 57.021 55.300 -0.007 0.000 1.109 1115 M CB -0.461 32.150 32.600 0.019 0.000 1.342 1115 M HN 0.340 nan 8.290 nan 0.000 0.405 1116 A N 0.401 123.233 122.820 0.020 0.000 1.883 1116 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 1116 A C 2.336 180.013 177.584 0.155 0.000 1.186 1116 A CA 2.101 54.212 52.037 0.122 0.000 0.624 1116 A CB -1.611 17.431 19.000 0.070 0.000 0.822 1116 A HN 0.571 nan 8.150 nan 0.000 0.444 1117 G N -0.641 108.139 108.800 -0.033 0.000 2.404 1117 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 1117 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 1117 G C 1.427 176.250 174.900 -0.127 0.000 1.174 1117 G CA 0.940 45.951 45.100 -0.150 0.000 0.780 1117 G HN 0.653 nan 8.290 nan 0.000 0.537 1118 E N 0.174 120.252 120.200 -0.203 0.000 2.058 1118 E HA -0.097 4.252 4.350 -0.000 0.000 0.194 1118 E C 2.511 178.967 176.600 -0.239 0.000 0.997 1118 E CA 0.793 56.935 56.400 -0.431 0.000 0.801 1118 E CB -0.194 29.270 29.700 -0.394 0.000 0.746 1118 E HN 0.453 nan 8.360 nan 0.000 0.450 1119 I N 1.314 121.852 120.570 -0.054 0.000 2.127 1119 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 1119 I C 2.626 178.701 176.117 -0.070 0.000 1.075 1119 I CA 1.106 62.420 61.300 0.024 0.000 1.334 1119 I CB -0.440 37.674 38.000 0.190 0.000 1.040 1119 I HN 0.103 nan 8.210 nan 0.000 0.405 1120 A N 0.176 122.957 122.820 -0.065 0.000 1.948 1120 A HA -0.334 3.986 4.320 -0.000 0.000 0.220 1120 A C 1.946 179.426 177.584 -0.174 0.000 1.177 1120 A CA 2.540 54.401 52.037 -0.294 0.000 0.636 1120 A CB -0.757 18.143 19.000 -0.167 0.000 0.815 1120 A HN 0.493 nan 8.150 nan 0.000 0.449 1121 D N -1.121 119.281 120.400 0.004 0.000 2.103 1121 D HA 0.015 4.655 4.640 -0.000 0.000 0.199 1121 D C 2.076 178.465 176.300 0.148 0.000 0.978 1121 D CA 1.552 55.673 54.000 0.200 0.000 0.829 1121 D CB -0.462 40.559 40.800 0.370 0.000 0.981 1121 D HN 0.282 nan 8.370 nan 0.000 0.464 1122 G N 0.381 109.221 108.800 0.067 0.000 2.446 1122 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 1122 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 1122 G C 1.550 176.381 174.900 -0.114 0.000 1.168 1122 G CA 0.895 46.003 45.100 0.013 0.000 0.771 1122 G HN 0.171 nan 8.290 nan 0.000 0.551 1123 M N 1.213 120.623 119.600 -0.317 0.000 2.149 1123 M HA -0.017 4.463 4.480 -0.000 0.000 0.261 1123 M C 2.987 178.987 176.300 -0.501 0.000 1.064 1123 M CA 1.315 56.240 55.300 -0.625 0.000 1.102 1123 M CB -1.237 30.434 32.600 -1.547 0.000 1.369 1123 M HN 0.338 nan 8.290 nan 0.000 0.408 1124 A N -1.095 121.546 122.820 -0.298 0.000 1.933 1124 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 1124 A C 2.125 179.628 177.584 -0.136 0.000 1.175 1124 A CA 1.323 53.392 52.037 0.054 0.000 0.628 1124 A CB -1.063 18.147 19.000 0.350 0.000 0.814 1124 A HN 0.535 nan 8.150 nan 0.000 0.444 1125 Y N 0.120 120.085 120.300 -0.557 0.000 2.242 1125 Y HA -0.079 4.471 4.550 -0.000 0.000 0.291 1125 Y C 1.949 177.511 175.900 -0.564 0.000 1.137 1125 Y CA 1.459 58.939 58.100 -1.034 0.000 1.181 1125 Y CB -0.151 37.798 38.460 -0.852 0.000 0.989 1125 Y HN 0.204 nan 8.280 nan 0.000 0.527 1126 L N 0.256 121.279 121.223 -0.333 0.000 1.994 1126 L HA -0.288 4.052 4.340 -0.000 0.000 0.208 1126 L C 1.946 178.731 176.870 -0.141 0.000 1.071 1126 L CA 2.193 56.839 54.840 -0.324 0.000 0.745 1126 L CB -0.697 41.253 42.059 -0.183 0.000 0.892 1126 L HN 0.377 nan 8.230 nan 0.000 0.431 1127 N N -0.484 118.176 118.700 -0.066 0.000 2.223 1127 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 1127 N C 1.807 177.296 175.510 -0.035 0.000 1.016 1127 N CA 0.861 53.923 53.050 0.019 0.000 0.863 1127 N CB -0.064 38.506 38.487 0.139 0.000 0.983 1127 N HN 0.327 nan 8.380 nan 0.000 0.429 1128 A N 1.392 124.149 122.820 -0.105 0.000 1.972 1128 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 1128 A C 1.598 179.102 177.584 -0.132 0.000 1.169 1128 A CA 1.099 53.091 52.037 -0.076 0.000 0.635 1128 A CB -0.121 18.854 19.000 -0.043 0.000 0.810 1128 A HN 0.270 nan 8.150 nan 0.000 0.446 1129 N N 0.226 118.794 118.700 -0.220 0.000 2.313 1129 N HA 0.019 4.759 4.740 -0.000 0.000 0.207 1129 N C -0.656 174.781 175.510 -0.123 0.000 1.141 1129 N CA 0.114 53.092 53.050 -0.120 0.000 0.830 1129 N CB 0.262 38.701 38.487 -0.080 0.000 1.008 1129 N HN 0.138 nan 8.380 nan 0.000 0.481 1130 K N 0.363 120.676 120.400 -0.145 0.000 3.393 1130 K HA -0.174 4.146 4.320 -0.000 0.000 0.272 1130 K C -1.096 175.239 176.600 -0.441 0.000 1.004 1130 K CA 0.800 56.944 56.287 -0.237 0.000 0.764 1130 K CB -2.032 30.307 32.500 -0.269 0.000 1.373 1130 K HN 0.180 nan 8.250 nan 0.000 0.458 1131 F N -0.970 118.965 119.950 -0.025 0.000 2.576 1131 F HA 0.451 4.978 4.527 -0.000 0.000 0.313 1131 F C 0.504 176.331 175.800 0.044 0.000 1.078 1131 F CA -1.080 56.930 58.000 0.016 0.000 0.921 1131 F CB 1.749 40.766 39.000 0.028 0.000 1.232 1131 F HN -0.142 nan 8.300 nan 0.000 0.459 1132 V N 2.176 122.256 119.914 0.276 0.000 2.435 1132 V HA 0.233 4.353 4.120 -0.000 0.000 0.290 1132 V C 0.710 176.964 176.094 0.266 0.000 1.030 1132 V CA -0.579 61.869 62.300 0.248 0.000 0.881 1132 V CB 1.276 33.225 31.823 0.211 0.000 0.983 1132 V HN 0.878 nan 8.190 nan 0.000 0.445 1133 H N 4.092 123.279 119.070 0.195 0.000 2.372 1133 H HA 0.068 4.624 4.556 -0.000 0.000 0.301 1133 H C 1.697 177.084 175.328 0.099 0.000 1.065 1133 H CA 1.866 58.014 56.048 0.167 0.000 1.364 1133 H CB 0.391 30.240 29.762 0.144 0.000 1.406 1133 H HN 0.796 nan 8.280 nan 0.000 0.521 1134 R N -1.203 119.501 120.500 0.340 0.000 3.789 1134 R HA -0.196 4.144 4.340 -0.000 0.000 0.414 1134 R C 0.243 176.683 176.300 0.233 0.000 0.593 1134 R CA 1.733 57.945 56.100 0.186 0.000 1.562 1134 R CB -1.477 28.698 30.300 -0.208 0.000 2.091 1134 R HN 0.311 nan 8.270 nan 0.000 0.382 1135 D N 0.468 121.068 120.400 0.333 0.000 2.571 1135 D HA 0.157 4.797 4.640 -0.000 0.000 0.239 1135 D C -0.617 175.682 176.300 -0.002 0.000 1.267 1135 D CA -0.346 53.764 54.000 0.183 0.000 0.823 1135 D CB 0.330 41.226 40.800 0.160 0.000 1.056 1135 D HN 0.044 nan 8.370 nan 0.000 0.494 1136 L N 1.477 122.631 121.223 -0.115 0.000 2.462 1136 L HA 0.495 4.835 4.340 -0.000 0.000 0.272 1136 L C -0.389 176.420 176.870 -0.103 0.000 1.166 1136 L CA 0.339 54.992 54.840 -0.311 0.000 0.880 1136 L CB 0.350 42.309 42.059 -0.166 0.000 1.142 1136 L HN 0.102 nan 8.230 nan 0.000 0.473 1137 A N 3.859 126.573 122.820 -0.178 0.000 2.586 1137 A HA 0.685 5.005 4.320 -0.000 0.000 0.291 1137 A C 0.451 177.997 177.584 -0.064 0.000 1.062 1137 A CA -0.173 51.760 52.037 -0.174 0.000 0.666 1137 A CB 0.344 18.886 19.000 -0.763 0.000 1.281 1137 A HN 1.046 nan 8.150 nan 0.000 0.421 1138 A N 0.504 123.367 122.820 0.072 0.000 1.978 1138 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 1138 A C 1.919 179.509 177.584 0.010 0.000 1.170 1138 A CA 2.041 54.124 52.037 0.077 0.000 0.636 1138 A CB -0.558 18.535 19.000 0.156 0.000 0.810 1138 A HN 1.096 nan 8.150 nan 0.000 0.448 1139 R N -1.009 119.461 120.500 -0.049 0.000 2.280 1139 R HA 0.014 4.354 4.340 -0.000 0.000 0.207 1139 R C 0.443 176.688 176.300 -0.091 0.000 1.043 1139 R CA 1.406 57.466 56.100 -0.067 0.000 1.006 1139 R CB -0.322 29.911 30.300 -0.111 0.000 0.885 1139 R HN 0.335 nan 8.270 nan 0.000 0.467 1140 N N -0.040 118.591 118.700 -0.116 0.000 2.236 1140 N HA 0.088 4.828 4.740 -0.000 0.000 0.196 1140 N C -0.630 174.815 175.510 -0.107 0.000 1.114 1140 N CA 0.001 52.977 53.050 -0.124 0.000 0.859 1140 N CB 0.515 38.916 38.487 -0.144 0.000 0.982 1140 N HN 0.132 nan 8.380 nan 0.000 0.493 1141 C N 1.972 121.230 119.300 -0.071 0.000 2.350 1141 C HA 0.517 4.977 4.460 -0.000 0.000 0.348 1141 C C 0.406 175.375 174.990 -0.035 0.000 1.260 1141 C CA -0.858 58.131 59.018 -0.048 0.000 1.966 1141 C CB 0.384 28.113 27.740 -0.019 0.000 2.380 1141 C HN 0.202 nan 8.230 nan 0.000 0.535 1142 M N 2.718 122.296 119.600 -0.037 0.000 2.478 1142 M HA 0.533 5.013 4.480 -0.000 0.000 0.327 1142 M C -0.568 175.694 176.300 -0.062 0.000 1.187 1142 M CA -0.414 54.861 55.300 -0.042 0.000 1.022 1142 M CB 1.407 33.985 32.600 -0.036 0.000 1.629 1142 M HN 0.325 nan 8.290 nan 0.000 0.461 1143 V N 1.443 121.299 119.914 -0.096 0.000 2.495 1143 V HA 0.672 4.792 4.120 -0.000 0.000 0.298 1143 V C 0.340 176.331 176.094 -0.172 0.000 1.031 1143 V CA -1.053 61.148 62.300 -0.166 0.000 0.871 1143 V CB 1.238 32.869 31.823 -0.320 0.000 0.988 1143 V HN 1.015 nan 8.190 nan 0.000 0.432 1144 A N 2.547 125.271 122.820 -0.161 0.000 2.287 1144 A HA 0.497 4.817 4.320 -0.000 0.000 0.273 1144 A C 1.239 178.652 177.584 -0.285 0.000 1.091 1144 A CA -0.028 51.914 52.037 -0.158 0.000 0.817 1144 A CB 0.338 19.284 19.000 -0.090 0.000 1.069 1144 A HN 0.961 nan 8.150 nan 0.000 0.492 1145 E N 0.310 120.364 120.200 -0.242 0.000 2.130 1145 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 1145 E C 1.000 177.312 176.600 -0.480 0.000 0.998 1145 E CA 2.073 58.276 56.400 -0.328 0.000 0.806 1145 E CB -0.066 29.534 29.700 -0.166 0.000 0.738 1145 E HN 0.736 nan 8.360 nan 0.000 0.459 1146 D N -1.210 119.049 120.400 -0.235 0.000 2.319 1146 D HA -0.104 4.536 4.640 -0.000 0.000 0.230 1146 D C -0.121 176.253 176.300 0.123 0.000 1.094 1146 D CA -0.110 53.867 54.000 -0.038 0.000 0.856 1146 D CB -0.570 40.276 40.800 0.077 0.000 0.915 1146 D HN 0.312 nan 8.370 nan 0.000 0.517 1147 F N -1.463 118.457 119.950 -0.050 0.000 2.746 1147 F HA -0.227 4.300 4.527 -0.000 0.000 0.315 1147 F C 0.382 176.124 175.800 -0.097 0.000 0.666 1147 F CA 0.670 58.600 58.000 -0.116 0.000 1.381 1147 F CB -2.630 36.325 39.000 -0.075 0.000 1.739 1147 F HN -0.102 nan 8.300 nan 0.000 0.322 1148 T N 1.932 116.520 114.554 0.057 0.000 2.870 1148 T HA 0.474 4.824 4.350 -0.000 0.000 0.300 1148 T C 0.518 175.217 174.700 -0.002 0.000 0.989 1148 T CA -0.225 61.910 62.100 0.058 0.000 1.139 1148 T CB 1.315 70.229 68.868 0.077 0.000 0.920 1148 T HN 0.035 nan 8.240 nan 0.000 0.537 1149 V N 5.159 125.078 119.914 0.008 0.000 2.567 1149 V HA 0.453 4.573 4.120 -0.000 0.000 0.289 1149 V C 0.203 176.307 176.094 0.017 0.000 1.049 1149 V CA -0.457 61.835 62.300 -0.013 0.000 0.969 1149 V CB 1.337 33.152 31.823 -0.013 0.000 0.995 1149 V HN 0.771 nan 8.190 nan 0.000 0.471 1150 K N 4.008 124.413 120.400 0.008 0.000 2.464 1150 K HA 0.560 4.880 4.320 -0.000 0.000 0.253 1150 K C -1.380 175.233 176.600 0.021 0.000 0.933 1150 K CA -0.962 55.345 56.287 0.034 0.000 0.801 1150 K CB 2.353 34.862 32.500 0.015 0.000 1.271 1150 K HN 0.305 nan 8.250 nan 0.000 0.430 1151 I N 1.690 122.289 120.570 0.048 0.000 2.692 1151 I HA 0.058 4.228 4.170 -0.000 0.000 0.284 1151 I C 1.243 177.361 176.117 0.002 0.000 1.159 1151 I CA 0.616 61.930 61.300 0.024 0.000 1.423 1151 I CB 0.559 38.627 38.000 0.113 0.000 1.380 1151 I HN 1.058 nan 8.210 nan 0.000 0.580 1152 G N 4.130 112.791 108.800 -0.232 0.000 2.532 1152 G HA2 0.001 3.961 3.960 -0.000 0.000 0.198 1152 G HA3 0.001 3.961 3.960 -0.000 0.000 0.198 1152 G C -0.181 174.418 174.900 -0.502 0.000 1.301 1152 G CA 0.095 45.051 45.100 -0.239 0.000 0.651 1152 G HN 0.521 nan 8.290 nan 0.000 0.972 1153 D N -0.161 119.835 120.400 -0.674 0.000 2.471 1153 D HA 0.479 5.119 4.640 -0.000 0.000 0.245 1153 D C -0.702 175.211 176.300 -0.644 0.000 1.116 1153 D CA -0.924 52.794 54.000 -0.472 0.000 0.853 1153 D CB 1.040 41.713 40.800 -0.211 0.000 1.123 1153 D HN 0.061 nan 8.370 nan 0.000 0.540 1154 F N 1.158 121.048 119.950 -0.101 0.000 2.668 1154 F HA 0.307 4.834 4.527 -0.000 0.000 0.301 1154 F C 2.196 177.911 175.800 -0.143 0.000 1.106 1154 F CA -0.663 57.207 58.000 -0.217 0.000 1.289 1154 F CB 0.941 39.861 39.000 -0.135 0.000 1.006 1154 F HN 0.499 nan 8.300 nan 0.000 0.535 1155 G N 0.165 108.983 108.800 0.029 0.000 2.564 1155 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.216 1155 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.216 1155 G C 1.349 176.250 174.900 0.003 0.000 1.124 1155 G CA 0.787 45.909 45.100 0.035 0.000 0.764 1155 G HN 0.339 nan 8.290 nan 0.000 0.550 1156 M N 0.545 120.123 119.600 -0.035 0.000 2.306 1156 M HA 0.228 4.708 4.480 -0.000 0.000 0.292 1156 M C 1.228 177.497 176.300 -0.052 0.000 1.018 1156 M CA 0.089 55.357 55.300 -0.053 0.000 1.007 1156 M CB 0.850 33.411 32.600 -0.066 0.000 1.510 1156 M HN 0.072 nan 8.290 nan 0.000 0.537 1157 T N 0.404 114.943 114.554 -0.025 0.000 2.899 1157 T HA 0.506 4.856 4.350 -0.000 0.000 0.295 1157 T C 0.010 174.779 174.700 0.115 0.000 1.033 1157 T CA -0.502 61.621 62.100 0.039 0.000 1.084 1157 T CB 0.901 69.802 68.868 0.054 0.000 0.979 1157 T HN 0.189 nan 8.240 nan 0.000 0.532 1158 R N 1.893 122.509 120.500 0.193 0.000 2.673 1158 R HA 0.375 4.715 4.340 -0.000 0.000 0.281 1158 R C -1.156 175.303 176.300 0.264 0.000 0.991 1158 R CA -0.803 55.412 56.100 0.192 0.000 0.896 1158 R CB 1.765 32.113 30.300 0.080 0.000 1.201 1158 R HN 0.891 nan 8.270 nan 0.000 0.457 1159 D N 2.214 122.715 120.400 0.169 0.000 2.345 1159 D HA 0.375 5.014 4.640 -0.000 0.000 0.247 1159 D C 0.168 176.380 176.300 -0.147 0.000 1.108 1159 D CA -0.110 53.790 54.000 -0.166 0.000 0.894 1159 D CB 0.649 41.361 40.800 -0.147 0.000 1.203 1159 D HN 0.463 nan 8.370 nan 0.000 0.430 1163 T N -3.143 111.402 114.554 -0.014 0.000 5.304 1163 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 1163 T C 0.262 174.964 174.700 0.003 0.000 2.213 1163 T CA -0.151 61.950 62.100 0.000 0.000 3.786 1163 T CB -0.757 68.115 68.868 0.007 0.000 0.232 1163 T HN 0.221 nan 8.240 nan 0.000 0.643 1168 K N 2.266 122.781 120.400 0.192 0.000 2.248 1168 K HA 0.377 4.697 4.320 -0.000 0.000 0.281 1168 K C 0.558 177.216 176.600 0.096 0.000 1.054 1168 K CA 0.349 56.727 56.287 0.152 0.000 0.903 1168 K CB 1.323 33.962 32.500 0.231 0.000 1.077 1168 K HN 0.665 nan 8.250 nan 0.000 0.474 1169 G N 2.752 111.592 108.800 0.066 0.000 2.456 1169 G HA2 0.010 3.970 3.960 -0.000 0.000 0.213 1169 G HA3 0.010 3.970 3.960 -0.000 0.000 0.213 1169 G C 0.662 175.587 174.900 0.042 0.000 1.215 1169 G CA 0.583 45.712 45.100 0.048 0.000 0.805 1169 G HN 0.707 nan 8.290 nan 0.000 0.537 1170 G N -0.401 108.422 108.800 0.038 0.000 2.829 1170 G HA2 0.410 4.370 3.960 -0.000 0.000 0.173 1170 G HA3 0.410 4.370 3.960 -0.000 0.000 0.173 1170 G C -0.259 174.663 174.900 0.036 0.000 1.476 1170 G CA -0.507 44.612 45.100 0.032 0.000 1.072 1170 G HN 0.140 nan 8.290 nan 0.000 0.577 1171 K N 0.642 121.060 120.400 0.030 0.000 2.401 1171 K HA 0.336 4.656 4.320 -0.000 0.000 0.278 1171 K C 0.188 176.810 176.600 0.037 0.000 1.018 1171 K CA 0.146 56.452 56.287 0.031 0.000 0.981 1171 K CB 0.714 33.228 32.500 0.023 0.000 0.933 1171 K HN 0.481 nan 8.250 nan 0.000 0.477 1172 G N 2.500 111.329 108.800 0.049 0.000 2.495 1172 G HA2 0.497 4.457 3.960 -0.000 0.000 0.318 1172 G HA3 0.497 4.457 3.960 -0.000 0.000 0.318 1172 G C 0.204 175.134 174.900 0.050 0.000 1.257 1172 G CA -0.602 44.531 45.100 0.054 0.000 0.962 1172 G HN 0.545 nan 8.290 nan 0.000 0.483 1173 L N 1.654 122.899 121.223 0.036 0.000 2.769 1173 L HA 0.302 4.642 4.340 -0.000 0.000 0.240 1173 L C 0.646 177.543 176.870 0.044 0.000 1.163 1173 L CA -0.165 54.694 54.840 0.032 0.000 0.962 1173 L CB -0.012 42.052 42.059 0.009 0.000 1.258 1173 L HN 0.263 nan 8.230 nan 0.000 0.513 1174 L N 1.960 123.223 121.223 0.066 0.000 2.540 1174 L HA 0.072 4.412 4.340 -0.000 0.000 0.276 1174 L C -1.773 175.178 176.870 0.134 0.000 1.212 1174 L CA -1.555 53.340 54.840 0.092 0.000 0.893 1174 L CB -0.040 42.107 42.059 0.146 0.000 1.138 1174 L HN -0.135 nan 8.230 nan 0.000 0.491 1175 P HA -0.081 nan 4.420 nan 0.000 0.261 1175 P C 0.814 178.324 177.300 0.350 0.000 1.203 1175 P CA -0.039 63.212 63.100 0.252 0.000 0.767 1175 P CB 0.711 32.565 31.700 0.257 0.000 0.785 1176 V N 3.797 123.861 119.914 0.249 0.000 2.594 1176 V HA -0.234 3.886 4.120 -0.000 0.000 0.253 1176 V C 1.688 177.900 176.094 0.196 0.000 1.069 1176 V CA 1.443 63.848 62.300 0.176 0.000 1.082 1176 V CB -0.848 31.022 31.823 0.078 0.000 0.680 1176 V HN 0.376 nan 8.190 nan 0.000 0.469 1177 R N -1.091 119.576 120.500 0.278 0.000 2.316 1177 R HA 0.056 4.395 4.340 -0.000 0.000 0.202 1177 R C 1.661 177.977 176.300 0.026 0.000 1.029 1177 R CA 1.466 57.622 56.100 0.094 0.000 1.018 1177 R CB -0.152 30.059 30.300 -0.148 0.000 0.888 1177 R HN 0.692 nan 8.270 nan 0.000 0.471 1178 W N -0.571 120.872 121.300 0.238 0.000 3.008 1178 W HA 0.283 4.942 4.660 -0.000 0.000 0.355 1178 W C -0.024 176.706 176.519 0.351 0.000 1.095 1178 W CA -0.577 56.956 57.345 0.313 0.000 1.738 1178 W CB 0.302 29.910 29.460 0.247 0.000 1.091 1178 W HN -0.005 nan 8.180 nan 0.000 0.574 1179 M N 1.188 121.006 119.600 0.362 0.000 2.235 1179 M HA 0.074 4.554 4.480 -0.000 0.000 0.351 1179 M C 1.130 177.221 176.300 -0.349 0.000 1.178 1179 M CA 0.260 55.624 55.300 0.106 0.000 1.143 1179 M CB 1.262 33.901 32.600 0.064 0.000 1.530 1179 M HN -0.249 nan 8.290 nan 0.000 0.461 1180 S N 2.671 117.979 115.700 -0.653 0.000 2.600 1180 S HA 0.290 4.760 4.470 -0.000 0.000 0.265 1180 S C -2.158 171.847 174.600 -0.993 0.000 1.325 1180 S CA -1.148 56.219 58.200 -1.387 0.000 1.002 1180 S CB 0.474 63.197 63.200 -0.794 0.000 0.921 1180 S HN 0.446 nan 8.310 nan 0.000 0.554 1181 P HA -0.194 nan 4.420 nan 0.000 0.214 1181 P C 1.775 178.757 177.300 -0.531 0.000 1.163 1181 P CA 1.612 64.272 63.100 -0.733 0.000 0.889 1181 P CB -0.129 31.017 31.700 -0.924 0.000 0.790 1182 E N -0.203 119.673 120.200 -0.539 0.000 2.118 1182 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 1182 E C 1.819 178.204 176.600 -0.358 0.000 0.992 1182 E CA 1.644 57.824 56.400 -0.366 0.000 0.804 1182 E CB -1.389 28.133 29.700 -0.297 0.000 0.741 1182 E HN 0.143 nan 8.360 nan 0.000 0.458 1183 S N 1.306 116.725 115.700 -0.468 0.000 2.368 1183 S HA -0.036 4.434 4.470 -0.000 0.000 0.225 1183 S C 2.153 176.526 174.600 -0.377 0.000 1.030 1183 S CA 1.090 58.932 58.200 -0.597 0.000 0.999 1183 S CB -0.283 62.448 63.200 -0.782 0.000 0.844 1183 S HN 0.225 nan 8.310 nan 0.000 0.459 1184 L N 0.959 122.003 121.223 -0.299 0.000 2.093 1184 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 1184 L C 2.516 179.300 176.870 -0.144 0.000 1.085 1184 L CA 1.185 55.914 54.840 -0.185 0.000 0.755 1184 L CB -0.324 41.620 42.059 -0.192 0.000 0.904 1184 L HN 0.252 nan 8.230 nan 0.000 0.435 1185 K N -0.582 119.718 120.400 -0.167 0.000 2.137 1185 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 1185 K C 0.985 177.531 176.600 -0.090 0.000 1.052 1185 K CA 1.303 57.522 56.287 -0.114 0.000 0.961 1185 K CB 0.334 32.769 32.500 -0.110 0.000 0.741 1185 K HN 0.243 nan 8.250 nan 0.000 0.452 1186 D N -2.131 118.202 120.400 -0.113 0.000 2.489 1186 D HA 0.120 4.759 4.640 -0.000 0.000 0.231 1186 D C 0.612 176.875 176.300 -0.062 0.000 1.114 1186 D CA 0.788 54.742 54.000 -0.077 0.000 0.842 1186 D CB 1.399 42.154 40.800 -0.075 0.000 1.133 1186 D HN 0.376 nan 8.370 nan 0.000 0.506 1187 G N 1.425 110.160 108.800 -0.110 0.000 2.136 1187 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.242 1187 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.242 1187 G C 0.260 175.122 174.900 -0.063 0.000 0.989 1187 G CA 0.160 45.238 45.100 -0.037 0.000 0.682 1187 G HN 0.261 nan 8.290 nan 0.000 0.522 1188 V N 0.820 120.600 119.914 -0.223 0.000 2.461 1188 V HA 0.675 4.795 4.120 -0.000 0.000 0.275 1188 V C 0.055 175.932 176.094 -0.362 0.000 1.047 1188 V CA -0.181 62.034 62.300 -0.142 0.000 0.955 1188 V CB 0.882 32.651 31.823 -0.090 0.000 0.988 1188 V HN 0.222 nan 8.190 nan 0.000 0.471 1189 F N 3.176 123.151 119.950 0.040 0.000 2.482 1189 F HA 0.728 5.254 4.527 -0.000 0.000 0.331 1189 F C 0.521 176.356 175.800 0.059 0.000 1.115 1189 F CA -0.404 57.633 58.000 0.061 0.000 0.955 1189 F CB 2.277 41.323 39.000 0.077 0.000 1.136 1189 F HN 0.573 nan 8.300 nan 0.000 0.452 1190 T N -3.339 111.338 114.554 0.204 0.000 2.812 1190 T HA 0.239 4.589 4.350 -0.000 0.000 0.294 1190 T C 0.804 175.534 174.700 0.050 0.000 1.159 1190 T CA -0.112 62.034 62.100 0.077 0.000 1.008 1190 T CB 1.283 70.173 68.868 0.036 0.000 1.289 1190 T HN 0.616 nan 8.240 nan 0.000 0.514 1191 T N -1.039 113.437 114.554 -0.130 0.000 2.849 1191 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 1191 T C 1.294 175.961 174.700 -0.055 0.000 1.066 1191 T CA 1.357 63.419 62.100 -0.064 0.000 1.130 1191 T CB -0.978 67.810 68.868 -0.134 0.000 0.864 1191 T HN 0.608 nan 8.240 nan 0.000 0.481 1192 Y N 2.801 123.150 120.300 0.082 0.000 2.181 1192 Y HA -0.030 4.520 4.550 -0.000 0.000 0.288 1192 Y C 3.234 179.214 175.900 0.133 0.000 1.146 1192 Y CA 0.931 59.066 58.100 0.059 0.000 1.164 1192 Y CB -1.085 37.396 38.460 0.036 0.000 0.982 1192 Y HN 0.469 nan 8.280 nan 0.000 0.515 1193 S N -0.693 115.175 115.700 0.279 0.000 2.423 1193 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 1193 S C 1.512 176.352 174.600 0.399 0.000 1.014 1193 S CA 1.236 59.601 58.200 0.276 0.000 0.965 1193 S CB -0.372 62.913 63.200 0.142 0.000 0.785 1193 S HN 0.317 nan 8.310 nan 0.000 0.495 1194 D N 1.646 122.272 120.400 0.376 0.000 2.117 1194 D HA -0.015 4.625 4.640 -0.000 0.000 0.197 1194 D C 2.044 178.651 176.300 0.512 0.000 0.987 1194 D CA 0.830 55.109 54.000 0.465 0.000 0.829 1194 D CB -0.467 40.639 40.800 0.510 0.000 0.961 1194 D HN 0.301 nan 8.370 nan 0.000 0.460 1195 V N 0.810 120.879 119.914 0.260 0.000 2.343 1195 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 1195 V C 2.168 178.479 176.094 0.362 0.000 1.051 1195 V CA 1.267 63.606 62.300 0.064 0.000 1.036 1195 V CB -0.477 31.203 31.823 -0.237 0.000 0.654 1195 V HN 0.410 nan 8.190 nan 0.000 0.451 1196 W N 1.182 122.635 121.300 0.255 0.000 2.301 1196 W HA -0.286 4.373 4.660 -0.000 0.000 0.325 1196 W C 2.546 179.338 176.519 0.455 0.000 1.250 1196 W CA 2.544 60.107 57.345 0.363 0.000 1.261 1196 W CB -0.709 28.912 29.460 0.268 0.000 1.157 1196 W HN 0.329 nan 8.180 nan 0.000 0.473 1197 S N 0.725 116.861 115.700 0.726 0.000 2.370 1197 S HA -0.252 4.218 4.470 -0.000 0.000 0.226 1197 S C 1.534 176.446 174.600 0.520 0.000 1.033 1197 S CA 1.654 60.240 58.200 0.643 0.000 1.011 1197 S CB -1.163 62.377 63.200 0.567 0.000 0.852 1197 S HN 0.354 nan 8.310 nan 0.000 0.457 1198 F N 2.687 122.845 119.950 0.348 0.000 2.087 1198 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 1198 F C 2.267 178.169 175.800 0.170 0.000 1.100 1198 F CA 1.471 59.637 58.000 0.276 0.000 1.226 1198 F CB -1.087 38.143 39.000 0.382 0.000 0.983 1198 F HN 0.213 nan 8.300 nan 0.000 0.479 1199 G N -0.185 108.634 108.800 0.033 0.000 2.440 1199 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 1199 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 1199 G C 1.732 176.646 174.900 0.024 0.000 1.154 1199 G CA 1.223 46.118 45.100 -0.342 0.000 0.767 1199 G HN 0.376 nan 8.290 nan 0.000 0.552 1200 V N 0.967 121.086 119.914 0.343 0.000 2.427 1200 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 1200 V C 3.061 179.345 176.094 0.317 0.000 1.051 1200 V CA 1.675 64.172 62.300 0.329 0.000 1.048 1200 V CB -0.160 31.711 31.823 0.079 0.000 0.666 1200 V HN 0.407 nan 8.190 nan 0.000 0.456 1201 V N -1.504 118.563 119.914 0.255 0.000 2.871 1201 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 1201 V C 2.061 178.184 176.094 0.048 0.000 1.082 1201 V CA 1.411 63.841 62.300 0.217 0.000 1.105 1201 V CB -0.408 31.533 31.823 0.197 0.000 0.713 1201 V HN 0.447 nan 8.190 nan 0.000 0.473 1202 L N -1.322 119.816 121.223 -0.140 0.000 2.046 1202 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 1202 L C 2.418 179.292 176.870 0.006 0.000 1.077 1202 L CA 2.504 57.230 54.840 -0.190 0.000 0.747 1202 L CB -0.646 41.170 42.059 -0.404 0.000 0.896 1202 L HN 0.580 nan 8.230 nan 0.000 0.432 1203 W N 1.340 122.611 121.300 -0.048 0.000 2.338 1203 W HA -0.217 4.443 4.660 -0.000 0.000 0.304 1203 W C 2.464 178.991 176.519 0.014 0.000 1.212 1203 W CA 1.765 59.139 57.345 0.047 0.000 1.264 1203 W CB 0.004 29.570 29.460 0.177 0.000 1.142 1203 W HN 0.098 nan 8.180 nan 0.000 0.512 1204 E N 0.039 120.442 120.200 0.339 0.000 2.058 1204 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 1204 E C 2.095 178.696 176.600 0.002 0.000 0.997 1204 E CA 2.064 58.586 56.400 0.203 0.000 0.801 1204 E CB -0.570 29.319 29.700 0.316 0.000 0.746 1204 E HN 0.369 nan 8.360 nan 0.000 0.450 1205 I N 0.950 121.524 120.570 0.007 0.000 2.208 1205 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 1205 I C 2.468 178.521 176.117 -0.106 0.000 1.097 1205 I CA 1.040 62.323 61.300 -0.028 0.000 1.363 1205 I CB -0.308 37.680 38.000 -0.020 0.000 1.051 1205 I HN 0.080 nan 8.210 nan 0.000 0.413 1206 A N 0.060 122.777 122.820 -0.172 0.000 2.121 1206 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 1206 A C 2.044 179.433 177.584 -0.326 0.000 1.154 1206 A CA 1.976 53.873 52.037 -0.234 0.000 0.679 1206 A CB -0.764 18.091 19.000 -0.241 0.000 0.795 1206 A HN 0.547 nan 8.150 nan 0.000 0.458 1207 T N -4.221 110.087 114.554 -0.410 0.000 3.145 1207 T HA 0.450 4.800 4.350 -0.000 0.000 0.281 1207 T C 0.341 174.891 174.700 -0.250 0.000 1.003 1207 T CA 0.058 61.899 62.100 -0.432 0.000 0.901 1207 T CB -0.574 67.825 68.868 -0.782 0.000 1.112 1207 T HN 0.547 nan 8.240 nan 0.000 0.535 1208 L N 0.911 122.030 121.223 -0.173 0.000 3.677 1208 L HA -0.214 4.126 4.340 -0.000 0.000 0.464 1208 L C 0.795 177.627 176.870 -0.063 0.000 1.278 1208 L CA 0.146 54.923 54.840 -0.105 0.000 0.806 1208 L CB -2.370 39.622 42.059 -0.111 0.000 1.610 1208 L HN 0.862 nan 8.230 nan 0.000 0.867 1209 A N 0.013 122.817 122.820 -0.027 0.000 2.475 1209 A HA -0.206 4.114 4.320 -0.000 0.000 0.295 1209 A C 0.530 178.159 177.584 0.075 0.000 1.457 1209 A CA 1.593 53.670 52.037 0.066 0.000 0.734 1209 A CB -0.915 18.136 19.000 0.084 0.000 1.118 1209 A HN 0.727 nan 8.150 nan 0.000 0.400 1210 E N -0.265 119.966 120.200 0.053 0.000 2.312 1210 E HA 0.435 4.785 4.350 -0.000 0.000 0.259 1210 E C 0.497 177.251 176.600 0.258 0.000 1.122 1210 E CA -0.575 55.888 56.400 0.105 0.000 0.922 1210 E CB 0.455 30.165 29.700 0.018 0.000 1.109 1210 E HN 0.603 nan 8.360 nan 0.000 0.442 1211 Q N 2.313 122.233 119.800 0.200 0.000 2.294 1211 Q HA 0.243 4.583 4.340 -0.000 0.000 0.257 1211 Q C -2.277 173.732 176.000 0.015 0.000 0.955 1211 Q CA -2.048 53.837 55.803 0.136 0.000 0.936 1211 Q CB 0.918 29.716 28.738 0.100 0.000 1.188 1211 Q HN 0.213 nan 8.270 nan 0.000 0.420 1212 P HA -0.096 nan 4.420 nan 0.000 0.265 1212 P C -1.282 175.668 177.300 -0.583 0.000 1.193 1212 P CA 0.469 63.017 63.100 -0.919 0.000 0.765 1212 P CB 0.049 31.042 31.700 -1.177 0.000 0.823 1213 Y N -0.653 119.381 120.300 -0.443 0.000 3.305 1213 Y HA -0.276 4.274 4.550 -0.000 0.000 0.212 1213 Y C 0.965 176.755 175.900 -0.183 0.000 1.248 1213 Y CA 0.550 58.469 58.100 -0.302 0.000 1.359 1213 Y CB -2.785 35.499 38.460 -0.294 0.000 1.407 1213 Y HN 0.445 nan 8.280 nan 0.000 0.572 1214 Q N 0.920 120.701 119.800 -0.032 0.000 2.361 1214 Q HA 0.398 4.738 4.340 -0.000 0.000 0.276 1214 Q C 1.373 177.364 176.000 -0.015 0.000 1.022 1214 Q CA 0.725 56.530 55.803 0.003 0.000 0.898 1214 Q CB 1.262 30.019 28.738 0.031 0.000 1.246 1214 Q HN 0.881 nan 8.270 nan 0.000 0.410 1215 G N 2.451 111.242 108.800 -0.016 0.000 2.213 1215 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.236 1215 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.236 1215 G C -0.146 174.720 174.900 -0.056 0.000 0.991 1215 G CA 0.092 45.171 45.100 -0.034 0.000 0.629 1215 G HN 0.526 nan 8.290 nan 0.000 0.517 1216 L N 1.647 122.836 121.223 -0.057 0.000 2.334 1216 L HA 0.685 5.025 4.340 -0.000 0.000 0.273 1216 L C 0.899 177.746 176.870 -0.037 0.000 1.013 1216 L CA -0.449 54.346 54.840 -0.075 0.000 0.816 1216 L CB 1.966 43.944 42.059 -0.134 0.000 1.278 1216 L HN 0.356 nan 8.230 nan 0.000 0.431 1217 S N -0.083 115.596 115.700 -0.035 0.000 2.646 1217 S HA 0.257 4.726 4.470 -0.000 0.000 0.276 1217 S C 0.756 175.344 174.600 -0.020 0.000 1.222 1217 S CA -0.880 57.311 58.200 -0.015 0.000 1.014 1217 S CB 1.233 64.426 63.200 -0.011 0.000 0.991 1217 S HN 0.589 nan 8.310 nan 0.000 0.533 1218 N N 1.643 120.342 118.700 -0.001 0.000 2.091 1218 N HA -0.182 4.558 4.740 -0.000 0.000 0.193 1218 N C 1.472 176.971 175.510 -0.018 0.000 1.021 1218 N CA 1.447 54.496 53.050 -0.002 0.000 0.862 1218 N CB -0.575 37.926 38.487 0.024 0.000 1.018 1218 N HN 0.699 nan 8.380 nan 0.000 0.429 1219 E N 1.147 121.340 120.200 -0.012 0.000 2.070 1219 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 1219 E C 1.920 178.506 176.600 -0.023 0.000 1.004 1219 E CA 1.286 57.677 56.400 -0.015 0.000 0.805 1219 E CB -0.054 29.640 29.700 -0.009 0.000 0.744 1219 E HN 0.509 nan 8.360 nan 0.000 0.451 1220 Q N -0.272 119.510 119.800 -0.030 0.000 2.049 1220 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 1220 Q C 2.395 178.371 176.000 -0.040 0.000 0.971 1220 Q CA 1.205 56.988 55.803 -0.033 0.000 0.833 1220 Q CB 0.016 28.720 28.738 -0.056 0.000 0.896 1220 Q HN 0.077 nan 8.270 nan 0.000 0.434 1221 V N 1.264 121.119 119.914 -0.099 0.000 2.231 1221 V HA -0.318 3.802 4.120 -0.000 0.000 0.250 1221 V C 2.178 178.183 176.094 -0.149 0.000 1.058 1221 V CA 1.617 63.796 62.300 -0.202 0.000 1.022 1221 V CB -0.808 30.863 31.823 -0.252 0.000 0.640 1221 V HN 0.414 nan 8.190 nan 0.000 0.445 1222 L N 0.527 121.688 121.223 -0.102 0.000 1.987 1222 L HA -0.277 4.063 4.340 -0.000 0.000 0.230 1222 L C 2.750 179.577 176.870 -0.072 0.000 1.089 1222 L CA 2.423 57.213 54.840 -0.084 0.000 0.802 1222 L CB -1.258 40.771 42.059 -0.050 0.000 0.905 1222 L HN 0.371 nan 8.230 nan 0.000 0.441 1223 R N -1.647 118.834 120.500 -0.033 0.000 2.073 1223 R HA -0.228 4.112 4.340 -0.000 0.000 0.234 1223 R C 2.215 178.511 176.300 -0.006 0.000 1.134 1223 R CA 1.629 57.719 56.100 -0.017 0.000 0.952 1223 R CB -0.891 29.413 30.300 0.006 0.000 0.850 1223 R HN 0.375 nan 8.270 nan 0.000 0.433 1224 F N 1.698 121.570 119.950 -0.130 0.000 2.091 1224 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 1224 F C 2.131 177.851 175.800 -0.133 0.000 1.103 1224 F CA 1.469 59.391 58.000 -0.131 0.000 1.228 1224 F CB -0.295 38.603 39.000 -0.169 0.000 0.984 1224 F HN -0.271 nan 8.300 nan 0.000 0.477 1225 V N 0.250 120.040 119.914 -0.207 0.000 2.358 1225 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 1225 V C 2.466 178.443 176.094 -0.194 0.000 1.047 1225 V CA 2.112 64.249 62.300 -0.271 0.000 1.035 1225 V CB -0.563 31.108 31.823 -0.254 0.000 0.658 1225 V HN 0.435 nan 8.190 nan 0.000 0.452 1226 M N -0.471 119.039 119.600 -0.150 0.000 2.159 1226 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 1226 M C 1.943 178.264 176.300 0.036 0.000 1.063 1226 M CA 1.790 57.049 55.300 -0.068 0.000 1.110 1226 M CB -0.130 32.424 32.600 -0.077 0.000 1.374 1226 M HN 0.278 nan 8.290 nan 0.000 0.411 1227 E N -1.371 118.783 120.200 -0.077 0.000 2.489 1227 E HA 0.091 4.441 4.350 -0.000 0.000 0.193 1227 E C 0.914 177.405 176.600 -0.181 0.000 1.057 1227 E CA 0.510 56.839 56.400 -0.119 0.000 0.866 1227 E CB 0.302 29.929 29.700 -0.122 0.000 0.916 1227 E HN 0.690 nan 8.360 nan 0.000 0.500 1228 G N 0.114 108.831 108.800 -0.139 0.000 2.273 1228 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.162 1228 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.162 1228 G C 0.522 175.297 174.900 -0.207 0.000 1.006 1228 G CA -0.507 44.533 45.100 -0.100 0.000 0.704 1228 G HN 0.430 nan 8.290 nan 0.000 0.487 1229 G N -0.076 108.364 108.800 -0.600 0.000 2.559 1229 G HA2 0.492 4.452 3.960 -0.000 0.000 0.235 1229 G HA3 0.492 4.452 3.960 -0.000 0.000 0.235 1229 G C -0.069 174.613 174.900 -0.363 0.000 1.266 1229 G CA 0.229 44.642 45.100 -1.144 0.000 0.847 1229 G HN 0.760 nan 8.290 nan 0.000 0.583 1230 L N 0.587 121.803 121.223 -0.011 0.000 2.409 1230 L HA 0.357 4.697 4.340 -0.000 0.000 0.262 1230 L C 0.049 177.048 176.870 0.214 0.000 0.992 1230 L CA -0.988 53.904 54.840 0.087 0.000 0.817 1230 L CB 2.206 44.344 42.059 0.133 0.000 1.350 1230 L HN 0.350 nan 8.230 nan 0.000 0.411 1231 L N 2.035 123.168 121.223 -0.149 0.000 2.514 1231 L HA 0.033 4.373 4.340 -0.000 0.000 0.280 1231 L C 0.074 177.063 176.870 0.198 0.000 1.223 1231 L CA 0.083 54.770 54.840 -0.255 0.000 0.864 1231 L CB 0.080 41.522 42.059 -1.028 0.000 1.118 1231 L HN 0.481 nan 8.230 nan 0.000 0.494 1232 D N 2.684 123.210 120.400 0.209 0.000 2.339 1232 D HA 0.037 4.677 4.640 -0.000 0.000 0.245 1232 D C 0.128 176.553 176.300 0.208 0.000 1.115 1232 D CA -0.256 53.873 54.000 0.215 0.000 0.917 1232 D CB 0.941 41.810 40.800 0.114 0.000 1.192 1232 D HN 0.327 nan 8.370 nan 0.000 0.428 1233 K N 2.339 122.581 120.400 -0.262 0.000 2.436 1233 K HA 0.099 4.419 4.320 -0.000 0.000 0.282 1233 K C -2.323 174.104 176.600 -0.288 0.000 1.044 1233 K CA -1.047 54.766 56.287 -0.789 0.000 1.028 1233 K CB 0.250 31.926 32.500 -1.372 0.000 0.919 1233 K HN 0.049 nan 8.250 nan 0.000 0.474 1234 P HA -0.045 nan 4.420 nan 0.000 0.267 1234 P C -0.990 176.192 177.300 -0.198 0.000 1.200 1234 P CA 0.093 63.054 63.100 -0.230 0.000 0.772 1234 P CB 0.429 31.911 31.700 -0.363 0.000 0.855 1235 D N 2.497 122.804 120.400 -0.156 0.000 2.390 1235 D HA 0.025 4.665 4.640 -0.000 0.000 0.249 1235 D C 0.619 176.844 176.300 -0.126 0.000 1.144 1235 D CA 0.458 54.383 54.000 -0.125 0.000 0.880 1235 D CB -0.130 40.612 40.800 -0.095 0.000 1.182 1235 D HN 0.464 nan 8.370 nan 0.000 0.451 1236 N N -0.203 118.431 118.700 -0.109 0.000 2.901 1236 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 1236 N C -0.195 175.253 175.510 -0.104 0.000 1.044 1236 N CA 0.012 53.004 53.050 -0.097 0.000 0.847 1236 N CB -1.306 37.126 38.487 -0.092 0.000 1.127 1236 N HN 0.373 nan 8.380 nan 0.000 0.562 1237 C N 2.051 121.278 119.300 -0.121 0.000 2.325 1237 C HA 0.412 4.872 4.460 -0.000 0.000 0.347 1237 C C -1.872 173.079 174.990 -0.064 0.000 1.263 1237 C CA -1.619 57.335 59.018 -0.106 0.000 1.806 1237 C CB -0.125 27.537 27.740 -0.130 0.000 2.405 1237 C HN 0.133 nan 8.230 nan 0.000 0.537 1238 P HA 0.103 nan 4.420 nan 0.000 0.265 1238 P C 0.132 177.441 177.300 0.016 0.000 1.187 1238 P CA 0.452 63.539 63.100 -0.020 0.000 0.766 1238 P CB 0.608 32.294 31.700 -0.024 0.000 0.820 1239 D N 1.504 121.919 120.400 0.025 0.000 2.117 1239 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 1239 D C 1.724 178.069 176.300 0.076 0.000 0.982 1239 D CA 1.031 55.074 54.000 0.072 0.000 0.828 1239 D CB -0.493 40.337 40.800 0.050 0.000 0.967 1239 D HN 0.344 nan 8.370 nan 0.000 0.464 1240 M N 0.332 119.949 119.600 0.029 0.000 2.082 1240 M HA -0.176 4.304 4.480 -0.000 0.000 0.258 1240 M C 1.903 178.198 176.300 -0.008 0.000 1.069 1240 M CA 1.366 56.670 55.300 0.005 0.000 1.102 1240 M CB -0.424 32.171 32.600 -0.008 0.000 1.336 1240 M HN 0.143 nan 8.290 nan 0.000 0.404 1241 L N 0.129 121.352 121.223 -0.000 0.000 2.093 1241 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 1241 L C 2.204 179.059 176.870 -0.025 0.000 1.085 1241 L CA 1.592 56.414 54.840 -0.029 0.000 0.755 1241 L CB -0.959 41.081 42.059 -0.031 0.000 0.904 1241 L HN 0.375 nan 8.230 nan 0.000 0.435 1242 F N -0.300 119.592 119.950 -0.096 0.000 2.325 1242 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 1242 F C 2.266 178.000 175.800 -0.112 0.000 1.090 1242 F CA 0.946 58.892 58.000 -0.090 0.000 1.392 1242 F CB -0.016 38.971 39.000 -0.022 0.000 1.053 1242 F HN 0.104 nan 8.300 nan 0.000 0.521 1243 E N 0.590 120.719 120.200 -0.118 0.000 2.072 1243 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 1243 E C 2.542 178.972 176.600 -0.284 0.000 0.985 1243 E CA 0.924 57.208 56.400 -0.194 0.000 0.801 1243 E CB -0.835 28.829 29.700 -0.061 0.000 0.750 1243 E HN 0.433 nan 8.360 nan 0.000 0.452 1244 L N 0.362 121.446 121.223 -0.231 0.000 2.043 1244 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 1244 L C 2.519 179.136 176.870 -0.421 0.000 1.075 1244 L CA 1.296 55.995 54.840 -0.234 0.000 0.752 1244 L CB -0.241 41.728 42.059 -0.150 0.000 0.891 1244 L HN 0.208 nan 8.230 nan 0.000 0.432 1245 M N -1.397 117.816 119.600 -0.646 0.000 2.159 1245 M HA -0.238 4.242 4.480 -0.000 0.000 0.263 1245 M C 2.262 177.774 176.300 -1.313 0.000 1.063 1245 M CA 1.608 56.179 55.300 -1.215 0.000 1.110 1245 M CB -0.522 31.196 32.600 -1.470 0.000 1.374 1245 M HN 0.124 nan 8.290 nan 0.000 0.411 1246 R N 0.293 120.263 120.500 -0.883 0.000 2.120 1246 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 1246 R C 2.145 178.271 176.300 -0.291 0.000 1.123 1246 R CA 1.445 57.238 56.100 -0.511 0.000 0.975 1246 R CB -0.272 29.766 30.300 -0.435 0.000 0.866 1246 R HN 0.442 nan 8.270 nan 0.000 0.446 1247 M N -0.761 118.660 119.600 -0.298 0.000 2.175 1247 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 1247 M C 2.269 178.472 176.300 -0.162 0.000 1.063 1247 M CA 1.146 56.345 55.300 -0.169 0.000 1.119 1247 M CB -0.125 32.393 32.600 -0.137 0.000 1.377 1247 M HN 0.191 nan 8.290 nan 0.000 0.415 1248 C N -0.663 118.442 119.300 -0.326 0.000 2.449 1248 C HA -0.096 4.364 4.460 -0.000 0.000 0.283 1248 C C 1.346 176.251 174.990 -0.142 0.000 1.453 1248 C CA 0.190 59.050 59.018 -0.264 0.000 1.779 1248 C CB -1.132 26.377 27.740 -0.385 0.000 1.779 1248 C HN 0.658 nan 8.230 nan 0.000 0.546 1249 W N 0.017 121.183 121.300 -0.224 0.000 2.926 1249 W HA 0.365 5.025 4.660 -0.000 0.000 0.419 1249 W C 0.635 177.204 176.519 0.083 0.000 0.993 1249 W CA -0.927 56.232 57.345 -0.310 0.000 2.025 1249 W CB -1.163 27.928 29.460 -0.614 0.000 1.152 1249 W HN 0.206 nan 8.180 nan 0.000 0.659 1250 Q N 0.258 120.212 119.800 0.257 0.000 2.286 1250 Q HA -0.118 4.222 4.340 -0.000 0.000 0.290 1250 Q C 1.095 177.274 176.000 0.298 0.000 1.049 1250 Q CA 0.471 56.406 55.803 0.221 0.000 0.923 1250 Q CB 0.408 29.213 28.738 0.112 0.000 1.183 1250 Q HN 0.334 nan 8.270 nan 0.000 0.383 1251 Y N 3.253 123.649 120.300 0.160 0.000 2.145 1251 Y HA -0.166 4.383 4.550 -0.000 0.000 0.286 1251 Y C 0.791 176.708 175.900 0.029 0.000 1.145 1251 Y CA 1.548 59.711 58.100 0.105 0.000 1.148 1251 Y CB 0.286 38.769 38.460 0.037 0.000 0.981 1251 Y HN 0.651 nan 8.280 nan 0.000 0.507 1252 N N 1.373 120.185 118.700 0.185 0.000 2.416 1252 N HA 0.015 4.755 4.740 -0.000 0.000 0.265 1252 N C -2.132 173.333 175.510 -0.075 0.000 1.195 1252 N CA -1.500 51.573 53.050 0.038 0.000 0.943 1252 N CB 1.146 39.654 38.487 0.036 0.000 1.115 1252 N HN 0.080 nan 8.380 nan 0.000 0.481 1253 P HA -0.161 nan 4.420 nan 0.000 0.217 1253 P C 0.579 177.527 177.300 -0.588 0.000 1.148 1253 P CA 1.606 64.546 63.100 -0.265 0.000 0.834 1253 P CB 0.284 31.824 31.700 -0.267 0.000 0.783 1254 K N -1.575 118.476 120.400 -0.581 0.000 2.432 1254 K HA 0.103 4.423 4.320 -0.000 0.000 0.196 1254 K C 1.483 177.949 176.600 -0.224 0.000 1.038 1254 K CA 0.707 56.663 56.287 -0.551 0.000 0.986 1254 K CB -0.206 32.082 32.500 -0.353 0.000 0.782 1254 K HN 0.168 nan 8.250 nan 0.000 0.485 1255 M N 0.858 120.376 119.600 -0.137 0.000 2.561 1255 M HA 0.059 4.539 4.480 -0.000 0.000 0.238 1255 M C 0.400 176.688 176.300 -0.021 0.000 1.131 1255 M CA 0.545 55.816 55.300 -0.049 0.000 1.046 1255 M CB -0.300 32.293 32.600 -0.011 0.000 1.532 1255 M HN -0.013 nan 8.290 nan 0.000 0.497 1256 R N 0.722 121.209 120.500 -0.020 0.000 2.577 1256 R HA 0.317 4.657 4.340 -0.000 0.000 0.269 1256 R C -2.192 174.113 176.300 0.007 0.000 1.084 1256 R CA -1.396 54.712 56.100 0.014 0.000 1.163 1256 R CB -0.436 29.904 30.300 0.068 0.000 1.100 1256 R HN -0.006 nan 8.270 nan 0.000 0.547 1257 P HA 0.062 nan 4.420 nan 0.000 0.276 1257 P C -0.709 176.546 177.300 -0.075 0.000 1.244 1257 P CA -0.557 62.523 63.100 -0.033 0.000 0.801 1257 P CB 0.993 32.664 31.700 -0.048 0.000 1.006 1258 S N 0.164 115.837 115.700 -0.046 0.000 2.645 1258 S HA 0.262 4.732 4.470 -0.000 0.000 0.266 1258 S C 0.858 175.372 174.600 -0.143 0.000 1.258 1258 S CA -0.253 57.896 58.200 -0.085 0.000 0.990 1258 S CB -0.097 63.125 63.200 0.037 0.000 0.967 1258 S HN 0.176 nan 8.310 nan 0.000 0.556 1259 F N 0.376 120.320 119.950 -0.010 0.000 2.134 1259 F HA 0.029 4.556 4.527 -0.000 0.000 0.299 1259 F C 2.144 177.946 175.800 0.004 0.000 1.097 1259 F CA 0.991 58.942 58.000 -0.082 0.000 1.264 1259 F CB -0.815 38.133 39.000 -0.086 0.000 1.001 1259 F HN 0.459 nan 8.300 nan 0.000 0.479 1260 L N -0.373 121.013 121.223 0.271 0.000 2.079 1260 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 1260 L C 2.256 179.246 176.870 0.200 0.000 1.081 1260 L CA 1.561 56.569 54.840 0.281 0.000 0.752 1260 L CB -0.641 41.570 42.059 0.252 0.000 0.896 1260 L HN 0.224 nan 8.230 nan 0.000 0.433 1261 E N 0.025 120.294 120.200 0.115 0.000 2.152 1261 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 1261 E C 2.280 178.900 176.600 0.033 0.000 0.983 1261 E CA 0.801 57.244 56.400 0.073 0.000 0.818 1261 E CB 0.035 29.762 29.700 0.044 0.000 0.758 1261 E HN 0.491 nan 8.360 nan 0.000 0.467 1262 I N 0.969 121.550 120.570 0.017 0.000 2.226 1262 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 1262 I C 2.263 178.364 176.117 -0.026 0.000 1.100 1262 I CA 1.070 62.374 61.300 0.007 0.000 1.374 1262 I CB -0.173 37.833 38.000 0.009 0.000 1.057 1262 I HN 0.092 nan 8.210 nan 0.000 0.413 1263 I N 0.339 120.878 120.570 -0.052 0.000 2.226 1263 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 1263 I C 2.782 178.693 176.117 -0.343 0.000 1.100 1263 I CA 1.673 62.840 61.300 -0.222 0.000 1.374 1263 I CB -0.452 37.372 38.000 -0.293 0.000 1.057 1263 I HN 0.293 nan 8.210 nan 0.000 0.413 1264 S N 0.540 116.115 115.700 -0.208 0.000 2.419 1264 S HA -0.187 4.283 4.470 -0.000 0.000 0.235 1264 S C 2.109 176.681 174.600 -0.048 0.000 1.019 1264 S CA 1.600 59.748 58.200 -0.086 0.000 0.982 1264 S CB -0.552 62.722 63.200 0.124 0.000 0.789 1264 S HN 0.573 nan 8.310 nan 0.000 0.490 1265 S N 1.719 117.390 115.700 -0.047 0.000 2.470 1265 S HA 0.141 4.611 4.470 -0.000 0.000 0.225 1265 S C 1.604 176.179 174.600 -0.043 0.000 1.006 1265 S CA 0.427 58.611 58.200 -0.026 0.000 0.934 1265 S CB -0.764 62.426 63.200 -0.016 0.000 0.778 1265 S HN 0.922 nan 8.310 nan 0.000 0.517 1266 I N -1.544 118.976 120.570 -0.083 0.000 4.147 1266 I HA 0.381 4.551 4.170 -0.000 0.000 0.329 1266 I C 1.610 177.644 176.117 -0.138 0.000 1.424 1266 I CA -0.531 60.712 61.300 -0.094 0.000 1.127 1266 I CB 0.122 38.066 38.000 -0.095 0.000 1.128 1266 I HN 0.101 nan 8.210 nan 0.000 0.417 1267 K N 1.249 121.558 120.400 -0.151 0.000 2.103 1267 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 1267 K C 1.214 177.809 176.600 -0.009 0.000 1.048 1267 K CA 1.448 57.653 56.287 -0.137 0.000 0.930 1267 K CB -0.293 32.140 32.500 -0.112 0.000 0.716 1267 K HN 0.284 nan 8.250 nan 0.000 0.444 1268 E N 1.160 121.368 120.200 0.014 0.000 2.265 1268 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 1268 E C 0.704 177.309 176.600 0.007 0.000 0.996 1268 E CA 1.117 57.540 56.400 0.039 0.000 0.832 1268 E CB 0.085 29.807 29.700 0.036 0.000 0.756 1268 E HN 0.508 nan 8.360 nan 0.000 0.491 1269 E N -0.453 119.726 120.200 -0.035 0.000 2.451 1269 E HA 0.105 4.455 4.350 -0.000 0.000 0.194 1269 E C -0.214 176.338 176.600 -0.081 0.000 1.027 1269 E CA -0.141 56.232 56.400 -0.046 0.000 0.914 1269 E CB 0.338 30.009 29.700 -0.049 0.000 1.054 1269 E HN -0.017 nan 8.360 nan 0.000 0.461 1270 M N 1.473 121.007 119.600 -0.110 0.000 2.188 1270 M HA 0.207 4.687 4.480 -0.000 0.000 0.357 1270 M C 0.207 176.491 176.300 -0.027 0.000 1.204 1270 M CA -0.246 54.946 55.300 -0.180 0.000 1.095 1270 M CB 0.890 33.196 32.600 -0.490 0.000 1.604 1270 M HN 0.023 nan 8.290 nan 0.000 0.464 1271 E N 3.537 123.737 120.200 -0.000 0.000 2.604 1271 E HA -0.118 4.232 4.350 -0.000 0.000 0.267 1271 E C -1.508 175.171 176.600 0.131 0.000 0.970 1271 E CA -0.849 55.589 56.400 0.064 0.000 0.956 1271 E CB 0.043 29.788 29.700 0.074 0.000 0.939 1271 E HN 0.393 nan 8.360 nan 0.000 0.465 1272 P HA -0.248 nan 4.420 nan 0.000 0.220 1272 P C 1.378 178.775 177.300 0.163 0.000 1.155 1272 P CA 1.852 65.024 63.100 0.119 0.000 0.880 1272 P CB -0.052 31.695 31.700 0.077 0.000 0.790 1273 G N -1.427 107.474 108.800 0.170 0.000 2.503 1273 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.221 1273 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.221 1273 G C 1.352 176.405 174.900 0.255 0.000 1.131 1273 G CA 0.550 45.757 45.100 0.178 0.000 0.756 1273 G HN 0.145 nan 8.290 nan 0.000 0.572 1274 F N 1.558 121.613 119.950 0.175 0.000 2.032 1274 F HA -0.263 4.264 4.527 -0.000 0.000 0.297 1274 F C 2.739 178.721 175.800 0.303 0.000 1.125 1274 F CA 2.324 60.480 58.000 0.259 0.000 1.202 1274 F CB -0.551 38.603 39.000 0.256 0.000 0.958 1274 F HN 0.164 nan 8.300 nan 0.000 0.491 1275 R N 0.429 121.143 120.500 0.357 0.000 2.204 1275 R HA -0.264 4.076 4.340 -0.000 0.000 0.253 1275 R C 1.972 178.298 176.300 0.043 0.000 1.172 1275 R CA 2.116 58.314 56.100 0.163 0.000 0.994 1275 R CB -0.443 29.767 30.300 -0.150 0.000 0.874 1275 R HN 0.689 nan 8.270 nan 0.000 0.462 1276 E N -0.832 119.380 120.200 0.021 0.000 2.276 1276 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 1276 E C 1.466 178.020 176.600 -0.077 0.000 0.983 1276 E CA 0.787 57.169 56.400 -0.030 0.000 0.861 1276 E CB 0.368 30.047 29.700 -0.034 0.000 0.817 1276 E HN 0.324 nan 8.360 nan 0.000 0.485 1277 V N -0.957 118.896 119.914 -0.101 0.000 3.477 1277 V HA 0.242 4.362 4.120 -0.000 0.000 0.297 1277 V C 0.780 176.784 176.094 -0.150 0.000 1.433 1277 V CA -0.088 62.081 62.300 -0.219 0.000 1.052 1277 V CB 0.059 31.612 31.823 -0.450 0.000 0.895 1277 V HN 0.238 nan 8.190 nan 0.000 0.438 1278 S N -0.151 115.437 115.700 -0.186 0.000 2.610 1278 S HA 0.464 4.934 4.470 -0.000 0.000 0.273 1278 S C 0.566 175.152 174.600 -0.024 0.000 1.274 1278 S CA -0.094 57.962 58.200 -0.240 0.000 1.023 1278 S CB 1.388 63.929 63.200 -1.099 0.000 0.962 1278 S HN 0.404 nan 8.310 nan 0.000 0.523 1279 F N 2.477 122.418 119.950 -0.015 0.000 2.163 1279 F HA -0.008 4.519 4.527 -0.000 0.000 0.297 1279 F C 1.917 177.747 175.800 0.051 0.000 1.094 1279 F CA 1.257 59.295 58.000 0.062 0.000 1.290 1279 F CB -0.830 38.271 39.000 0.169 0.000 1.017 1279 F HN 0.851 nan 8.300 nan 0.000 0.483 1280 Y N 0.073 120.216 120.300 -0.261 0.000 2.096 1280 Y HA -0.354 4.196 4.550 -0.000 0.000 0.278 1280 Y C 1.294 176.928 175.900 -0.442 0.000 1.192 1280 Y CA 2.367 60.215 58.100 -0.419 0.000 1.143 1280 Y CB -0.817 37.444 38.460 -0.332 0.000 0.963 1280 Y HN 0.212 nan 8.280 nan 0.000 0.505 1281 Y N 0.359 120.570 120.300 -0.148 0.000 2.683 1281 Y HA 0.187 4.737 4.550 -0.000 0.000 0.297 1281 Y C 0.783 176.578 175.900 -0.175 0.000 1.147 1281 Y CA -0.538 57.469 58.100 -0.155 0.000 1.274 1281 Y CB 0.013 38.456 38.460 -0.029 0.000 1.143 1281 Y HN 0.031 nan 8.280 nan 0.000 0.527 1282 S N -1.663 113.968 115.700 -0.114 0.000 2.747 1282 S HA 0.244 4.714 4.470 -0.000 0.000 0.300 1282 S C 0.943 175.484 174.600 -0.098 0.000 1.121 1282 S CA -0.844 57.313 58.200 -0.072 0.000 0.995 1282 S CB 1.523 64.716 63.200 -0.011 0.000 1.113 1282 S HN 0.108 nan 8.310 nan 0.000 0.547 1283 E N 1.184 121.363 120.200 -0.034 0.000 2.072 1283 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 1283 E C 1.707 178.296 176.600 -0.020 0.000 0.985 1283 E CA 1.294 57.679 56.400 -0.025 0.000 0.801 1283 E CB -0.578 29.124 29.700 0.003 0.000 0.750 1283 E HN 0.817 nan 8.360 nan 0.000 0.452 1284 E N 0.802 121.023 120.200 0.035 0.000 2.393 1284 E HA -0.161 4.189 4.350 -0.000 0.000 0.201 1284 E C 0.515 177.139 176.600 0.039 0.000 1.025 1284 E CA 0.525 56.989 56.400 0.108 0.000 0.856 1284 E CB -0.153 29.718 29.700 0.286 0.000 0.771 1284 E HN -0.026 nan 8.360 nan 0.000 0.526 1285 N N 0.717 119.310 118.700 -0.178 0.000 2.762 1285 N HA 0.173 4.913 4.740 -0.000 0.000 0.252 1285 N C -1.304 174.052 175.510 -0.256 0.000 1.269 1285 N CA -0.200 52.657 53.050 -0.322 0.000 0.799 1285 N CB 0.358 38.303 38.487 -0.905 0.000 1.173 1285 N HN -0.018 nan 8.380 nan 0.000 0.516 1286 K N 0.000 120.319 120.400 -0.135 0.000 2.780 1286 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1286 K CA 0.000 56.223 56.287 -0.107 0.000 0.838 1286 K CB 0.000 32.435 32.500 -0.108 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543