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_T DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX XXXXXXPPSL 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 58.252 58.200 0.086 0.000 1.107 980 S CB 0.000 63.233 63.200 0.055 0.000 0.593 981 F N 2.925 122.882 119.950 0.012 0.000 2.422 981 F HA 0.813 5.340 4.527 0.000 0.000 0.333 981 F C 0.310 176.121 175.800 0.019 0.000 1.095 981 F CA 1.000 59.010 58.000 0.017 0.000 1.038 981 F CB 1.801 40.811 39.000 0.017 0.000 1.156 981 F HN 1.032 nan 8.300 nan 0.000 0.483 982 S N 3.133 118.538 115.700 -0.491 0.000 2.669 982 S HA 0.543 5.013 4.470 0.000 0.000 0.266 982 S C 0.313 174.704 174.600 -0.348 0.000 1.149 982 S CA -0.359 57.697 58.200 -0.241 0.000 0.842 982 S CB 0.454 63.583 63.200 -0.118 0.000 1.160 982 S HN 1.101 nan 8.310 nan 0.000 0.487 983 A N 0.868 123.599 122.820 -0.149 0.000 1.958 983 A HA 0.092 4.412 4.320 0.000 0.000 0.221 983 A C 2.306 179.854 177.584 -0.059 0.000 1.178 983 A CA 2.783 54.767 52.037 -0.089 0.000 0.642 983 A CB -1.734 17.134 19.000 -0.219 0.000 0.816 983 A HN 1.756 nan 8.150 nan 0.000 0.453 984 A N 0.043 122.780 122.820 -0.138 0.000 2.067 984 A HA -0.072 4.248 4.320 0.000 0.000 0.219 984 A C 1.514 179.031 177.584 -0.111 0.000 1.158 984 A CA 1.702 53.685 52.037 -0.089 0.000 0.661 984 A CB -0.551 18.407 19.000 -0.071 0.000 0.801 984 A HN 0.581 nan 8.150 nan 0.000 0.452 985 D N -0.622 119.613 120.400 -0.274 0.000 2.277 985 D HA 0.009 4.649 4.640 0.000 0.000 0.208 985 D C 1.619 177.851 176.300 -0.114 0.000 0.962 985 D CA 0.979 54.830 54.000 -0.249 0.000 0.865 985 D CB -0.027 40.481 40.800 -0.485 0.000 0.939 985 D HN 0.287 nan 8.370 nan 0.000 0.510 986 V N -0.367 119.492 119.914 -0.092 0.000 2.436 986 V HA -0.110 4.010 4.120 0.000 0.000 0.240 986 V C 1.519 177.565 176.094 -0.080 0.000 1.040 986 V CA 0.941 63.225 62.300 -0.026 0.000 1.052 986 V CB -0.667 31.162 31.823 0.010 0.000 0.707 986 V HN 0.161 nan 8.190 nan 0.000 0.469 987 Y N 0.900 121.147 120.300 -0.088 0.000 2.561 987 Y HA 0.147 4.697 4.550 0.000 0.000 0.291 987 Y C 1.092 176.920 175.900 -0.119 0.000 1.141 987 Y CA 0.065 58.107 58.100 -0.097 0.000 1.303 987 Y CB 0.054 38.445 38.460 -0.114 0.000 1.015 987 Y HN 0.189 nan 8.280 nan 0.000 0.547 988 V N -0.837 119.092 119.914 0.025 0.000 2.461 988 V HA 0.337 4.457 4.120 0.000 0.000 0.275 988 V C -2.564 173.526 176.094 -0.008 0.000 1.047 988 V CA -3.045 59.235 62.300 -0.033 0.000 0.955 988 V CB 0.742 32.555 31.823 -0.017 0.000 0.988 988 V HN -0.090 nan 8.190 nan 0.000 0.471 989 P HA 0.062 nan 4.420 nan 0.000 0.254 989 P C 0.649 178.117 177.300 0.281 0.000 1.186 989 P CA 0.379 63.535 63.100 0.094 0.000 0.868 989 P CB 0.247 31.945 31.700 -0.003 0.000 0.856 990 D N 3.583 124.074 120.400 0.152 0.000 2.339 990 D HA -0.261 4.379 4.640 0.000 0.000 0.189 990 D C 1.057 177.444 176.300 0.145 0.000 1.022 990 D CA 1.652 55.724 54.000 0.120 0.000 0.884 990 D CB -0.067 40.772 40.800 0.065 0.000 0.916 990 D HN 0.491 nan 8.370 nan 0.000 0.453 991 E N -1.539 118.754 120.200 0.155 0.000 2.444 991 E HA -0.192 4.158 4.350 0.000 0.000 0.204 991 E C 0.917 177.331 176.600 -0.310 0.000 1.049 991 E CA 0.819 57.164 56.400 -0.092 0.000 0.872 991 E CB -0.364 29.213 29.700 -0.204 0.000 0.791 991 E HN 0.589 nan 8.360 nan 0.000 0.548 992 W N 0.841 122.122 121.300 -0.031 0.000 2.684 992 W HA 0.288 4.948 4.660 0.000 0.000 0.381 992 W C 0.409 176.912 176.519 -0.027 0.000 0.975 992 W CA -0.753 56.572 57.345 -0.033 0.000 1.789 992 W CB 0.304 29.735 29.460 -0.049 0.000 1.161 992 W HN -0.092 nan 8.180 nan 0.000 0.564 993 E N 1.398 121.677 120.200 0.131 0.000 2.374 993 E HA 0.389 4.739 4.350 0.000 0.000 0.260 993 E C -0.709 175.919 176.600 0.047 0.000 1.101 993 E CA -0.272 56.178 56.400 0.082 0.000 0.907 993 E CB 1.793 31.526 29.700 0.056 0.000 1.014 993 E HN -0.131 nan 8.360 nan 0.000 0.427 994 V N 1.817 121.754 119.914 0.040 0.000 2.924 994 V HA 0.600 4.720 4.120 0.000 0.000 0.300 994 V C -1.267 174.838 176.094 0.019 0.000 1.227 994 V CA -0.223 62.091 62.300 0.023 0.000 0.954 994 V CB 1.607 33.446 31.823 0.026 0.000 1.055 994 V HN 0.867 nan 8.190 nan 0.000 0.429 995 A N 6.133 128.959 122.820 0.011 0.000 2.477 995 A HA 0.446 4.766 4.320 0.000 0.000 0.246 995 A C 1.253 178.841 177.584 0.006 0.000 1.078 995 A CA 0.408 52.450 52.037 0.008 0.000 0.770 995 A CB 0.185 19.188 19.000 0.005 0.000 1.011 995 A HN 1.198 nan 8.150 nan 0.000 0.494 996 R N 2.271 122.774 120.500 0.003 0.000 2.105 996 R HA -0.186 4.154 4.340 0.000 0.000 0.239 996 R C 1.221 177.518 176.300 -0.005 0.000 1.135 996 R CA 1.501 57.599 56.100 -0.002 0.000 0.967 996 R CB -0.529 29.765 30.300 -0.009 0.000 0.861 996 R HN 0.840 nan 8.270 nan 0.000 0.442 997 E N 2.225 122.422 120.200 -0.004 0.000 2.284 997 E HA -0.216 4.134 4.350 0.000 0.000 0.200 997 E C 0.939 177.538 176.600 -0.002 0.000 1.008 997 E CA 1.332 57.730 56.400 -0.004 0.000 0.829 997 E CB -0.314 29.384 29.700 -0.002 0.000 0.744 997 E HN 0.484 nan 8.360 nan 0.000 0.491 998 K N 0.341 120.741 120.400 0.000 0.000 2.437 998 K HA 0.180 4.500 4.320 0.000 0.000 0.198 998 K C -0.038 176.564 176.600 0.004 0.000 1.024 998 K CA 0.006 56.294 56.287 0.002 0.000 1.148 998 K CB 0.539 33.041 32.500 0.003 0.000 0.860 998 K HN 0.089 nan 8.250 nan 0.000 0.515 999 I N 1.780 122.350 120.570 0.000 0.000 2.497 999 I HA 0.085 4.255 4.170 0.000 0.000 0.284 999 I C -0.249 175.862 176.117 -0.011 0.000 1.060 999 I CA -0.498 60.802 61.300 -0.001 0.000 1.071 999 I CB 1.524 39.524 38.000 -0.000 0.000 1.216 999 I HN -0.085 nan 8.210 nan 0.000 0.442 1000 T N 4.246 118.796 114.554 -0.006 0.000 2.807 1000 T HA 0.736 5.086 4.350 0.000 0.000 0.279 1000 T C -0.180 174.515 174.700 -0.008 0.000 0.993 1000 T CA -0.783 61.310 62.100 -0.012 0.000 0.970 1000 T CB 2.022 70.889 68.868 -0.002 0.000 0.950 1000 T HN 0.360 nan 8.240 nan 0.000 0.441 1001 M N 3.062 122.642 119.600 -0.032 0.000 2.205 1001 M HA 0.356 4.836 4.480 0.000 0.000 0.344 1001 M C 1.150 177.477 176.300 0.045 0.000 1.085 1001 M CA -0.816 54.471 55.300 -0.021 0.000 1.001 1001 M CB 2.055 34.533 32.600 -0.202 0.000 1.626 1001 M HN 0.971 nan 8.290 nan 0.000 0.442 1002 S N 3.877 119.644 115.700 0.112 0.000 2.432 1002 S HA 0.272 4.742 4.470 0.000 0.000 0.203 1002 S C 0.407 175.102 174.600 0.158 0.000 0.987 1002 S CA -0.018 58.245 58.200 0.105 0.000 0.908 1002 S CB 0.309 63.551 63.200 0.070 0.000 0.883 1002 S HN 0.761 nan 8.310 nan 0.000 0.577 1003 R N 1.773 122.370 120.500 0.160 0.000 2.673 1003 R HA 0.531 4.871 4.340 0.000 0.000 0.281 1003 R C -1.035 175.249 176.300 -0.026 0.000 0.991 1003 R CA -0.815 55.342 56.100 0.094 0.000 0.896 1003 R CB 0.684 31.002 30.300 0.031 0.000 1.201 1003 R HN 0.375 nan 8.270 nan 0.000 0.457 1004 E N 3.358 123.380 120.200 -0.297 0.000 2.415 1004 E HA -0.017 4.333 4.350 0.000 0.000 0.262 1004 E C -0.146 176.286 176.600 -0.279 0.000 1.038 1004 E CA -0.086 55.929 56.400 -0.642 0.000 0.921 1004 E CB 0.868 30.136 29.700 -0.720 0.000 0.950 1004 E HN 0.695 nan 8.360 nan 0.000 0.438 1005 L N 0.481 121.564 121.223 -0.235 0.000 2.500 1005 L HA 0.295 4.635 4.340 0.000 0.000 0.219 1005 L C 1.096 177.902 176.870 -0.106 0.000 1.057 1005 L CA 0.681 55.453 54.840 -0.114 0.000 0.854 1005 L CB 0.328 42.354 42.059 -0.056 0.000 1.078 1005 L HN 0.841 nan 8.230 nan 0.000 0.480 1006 G N -0.670 108.048 108.800 -0.137 0.000 2.341 1006 G HA2 0.106 4.066 3.960 0.000 0.000 0.293 1006 G HA3 0.106 4.066 3.960 0.000 0.000 0.293 1006 G C -1.890 172.956 174.900 -0.091 0.000 1.298 1006 G CA -0.738 44.301 45.100 -0.102 0.000 0.868 1006 G HN -0.183 nan 8.290 nan 0.000 0.540 1007 Q N -0.325 119.433 119.800 -0.070 0.000 2.286 1007 Q HA 0.583 4.923 4.340 0.000 0.000 0.257 1007 Q C 0.627 176.592 176.000 -0.059 0.000 0.941 1007 Q CA 0.914 56.680 55.803 -0.061 0.000 0.912 1007 Q CB 1.261 29.965 28.738 -0.057 0.000 1.192 1007 Q HN 0.996 nan 8.270 nan 0.000 0.410 1008 G N 0.454 109.220 108.800 -0.056 0.000 2.667 1008 G HA2 0.345 4.305 3.960 0.000 0.000 0.310 1008 G HA3 0.345 4.305 3.960 0.000 0.000 0.310 1008 G C 0.504 175.325 174.900 -0.132 0.000 1.259 1008 G CA -0.172 44.891 45.100 -0.062 0.000 1.019 1008 G HN 0.733 nan 8.290 nan 0.000 0.496 1009 S N -0.460 115.121 115.700 -0.198 0.000 2.359 1009 S HA -0.159 4.311 4.470 0.000 0.000 0.222 1009 S C 1.371 175.619 174.600 -0.587 0.000 1.038 1009 S CA 1.520 59.436 58.200 -0.472 0.000 1.051 1009 S CB -0.414 62.389 63.200 -0.662 0.000 0.944 1009 S HN 0.406 nan 8.310 nan 0.000 0.433 1010 F N 2.085 121.976 119.950 -0.098 0.000 2.668 1010 F HA 0.589 5.116 4.527 0.000 0.000 0.301 1010 F C 1.255 176.894 175.800 -0.268 0.000 1.106 1010 F CA 0.008 57.872 58.000 -0.227 0.000 1.289 1010 F CB 0.971 39.712 39.000 -0.432 0.000 1.006 1010 F HN 0.574 nan 8.300 nan 0.000 0.535 1011 G N 0.047 108.809 108.800 -0.063 0.000 2.345 1011 G HA2 0.267 4.227 3.960 0.000 0.000 0.285 1011 G HA3 0.267 4.227 3.960 0.000 0.000 0.285 1011 G C -1.800 173.092 174.900 -0.014 0.000 1.297 1011 G CA -1.147 43.924 45.100 -0.049 0.000 0.875 1011 G HN -0.099 nan 8.290 nan 0.000 0.506 1012 M N 0.509 120.131 119.600 0.037 0.000 2.250 1012 M HA 0.665 5.145 4.480 0.000 0.000 0.344 1012 M C -0.227 176.143 176.300 0.117 0.000 1.150 1012 M CA -0.325 55.008 55.300 0.054 0.000 1.147 1012 M CB 1.528 34.191 32.600 0.105 0.000 1.498 1012 M HN 0.428 nan 8.290 nan 0.000 0.461 1013 V N 5.669 125.600 119.914 0.028 0.000 2.427 1013 V HA 0.425 4.545 4.120 0.000 0.000 0.286 1013 V C -0.978 175.114 176.094 -0.003 0.000 1.034 1013 V CA -0.470 61.876 62.300 0.078 0.000 0.893 1013 V CB 1.070 32.912 31.823 0.033 0.000 0.982 1013 V HN 0.784 nan 8.190 nan 0.000 0.452 1014 Y N 1.687 121.996 120.300 0.015 0.000 2.562 1014 Y HA 0.502 5.052 4.550 0.000 0.000 0.343 1014 Y C 0.354 176.263 175.900 0.015 0.000 1.025 1014 Y CA -0.777 57.331 58.100 0.012 0.000 1.082 1014 Y CB 1.821 40.288 38.460 0.012 0.000 1.264 1014 Y HN 0.664 nan 8.280 nan 0.000 0.478 1015 E N 0.527 120.824 120.200 0.162 0.000 2.283 1015 E HA 0.667 5.017 4.350 0.000 0.000 0.267 1015 E C -0.413 176.260 176.600 0.122 0.000 1.045 1015 E CA -0.358 56.107 56.400 0.108 0.000 0.884 1015 E CB 1.222 30.959 29.700 0.061 0.000 1.106 1015 E HN 0.821 nan 8.360 nan 0.000 0.408 1016 G N 0.578 109.425 108.800 0.079 0.000 2.488 1016 G HA2 0.370 4.330 3.960 0.000 0.000 0.301 1016 G HA3 0.370 4.330 3.960 0.000 0.000 0.301 1016 G C -1.663 173.261 174.900 0.040 0.000 1.339 1016 G CA -0.597 44.539 45.100 0.060 0.000 0.803 1016 G HN 0.476 nan 8.290 nan 0.000 0.482 1017 V N 0.317 120.248 119.914 0.029 0.000 2.459 1017 V HA 0.741 4.861 4.120 0.000 0.000 0.295 1017 V C 0.229 176.334 176.094 0.019 0.000 1.029 1017 V CA -0.192 62.121 62.300 0.022 0.000 0.874 1017 V CB 1.419 33.253 31.823 0.017 0.000 0.985 1017 V HN 1.459 nan 8.190 nan 0.000 0.438 1018 A N 5.315 128.147 122.820 0.020 0.000 2.323 1018 A HA 0.565 4.885 4.320 0.000 0.000 0.305 1018 A C -0.059 177.532 177.584 0.013 0.000 1.275 1018 A CA -0.783 51.264 52.037 0.018 0.000 0.804 1018 A CB 0.306 19.321 19.000 0.025 0.000 1.152 1018 A HN 0.801 nan 8.150 nan 0.000 0.487 1019 K N 1.760 122.165 120.400 0.009 0.000 2.412 1019 K HA 0.379 4.699 4.320 0.000 0.000 0.284 1019 K C 0.851 177.452 176.600 0.002 0.000 1.046 1019 K CA 0.440 56.730 56.287 0.005 0.000 0.999 1019 K CB 0.453 32.955 32.500 0.003 0.000 0.941 1019 K HN 1.419 nan 8.250 nan 0.000 0.474 1020 G N 2.118 110.918 108.800 0.000 0.000 2.371 1020 G HA2 -0.243 3.717 3.960 0.000 0.000 0.299 1020 G HA3 -0.243 3.717 3.960 0.000 0.000 0.299 1020 G C 0.463 175.358 174.900 -0.008 0.000 1.014 1020 G CA 0.402 45.499 45.100 -0.005 0.000 1.097 1020 G HN 0.615 nan 8.290 nan 0.000 0.512 1021 V N -3.637 116.275 119.914 -0.003 0.000 3.661 1021 V HA 0.545 4.665 4.120 0.000 0.000 0.271 1021 V C 0.917 177.005 176.094 -0.010 0.000 1.315 1021 V CA 0.503 62.801 62.300 -0.004 0.000 1.072 1021 V CB 0.814 32.644 31.823 0.012 0.000 0.830 1021 V HN 0.434 nan 8.190 nan 0.000 0.443 1022 V N 2.954 122.865 119.914 -0.006 0.000 2.448 1022 V HA 0.468 4.588 4.120 0.000 0.000 0.295 1022 V C -0.315 175.772 176.094 -0.011 0.000 1.025 1022 V CA -1.143 61.153 62.300 -0.006 0.000 0.859 1022 V CB 1.802 33.628 31.823 0.004 0.000 0.988 1022 V HN 0.626 nan 8.190 nan 0.000 0.431 1023 K N 4.249 124.639 120.400 -0.018 0.000 2.473 1023 K HA 0.127 4.447 4.320 0.000 0.000 0.277 1023 K C 0.192 176.786 176.600 -0.010 0.000 1.052 1023 K CA 0.404 56.681 56.287 -0.018 0.000 1.114 1023 K CB -0.370 32.117 32.500 -0.023 0.000 0.869 1023 K HN 0.653 nan 8.250 nan 0.000 0.481 1024 D N -0.262 120.132 120.400 -0.009 0.000 2.553 1024 D HA -0.166 4.474 4.640 0.000 0.000 0.178 1024 D C -0.698 175.601 176.300 -0.002 0.000 0.951 1024 D CA 1.282 55.279 54.000 -0.006 0.000 1.015 1024 D CB -0.706 40.092 40.800 -0.005 0.000 1.069 1024 D HN 0.827 nan 8.370 nan 0.000 0.463 1025 E N 0.292 120.492 120.200 -0.001 0.000 2.145 1025 E HA 0.261 4.611 4.350 0.000 0.000 0.262 1025 E C -1.960 174.640 176.600 0.001 0.000 0.883 1025 E CA -1.838 54.564 56.400 0.002 0.000 0.748 1025 E CB 1.904 31.607 29.700 0.005 0.000 1.140 1025 E HN -0.151 nan 8.360 nan 0.000 0.417 1026 P HA -0.083 nan 4.420 nan 0.000 0.218 1026 P C -0.548 176.754 177.300 0.003 0.000 1.149 1026 P CA 1.094 64.195 63.100 0.001 0.000 0.817 1026 P CB 0.401 32.102 31.700 0.002 0.000 0.785 1027 E N -1.785 118.418 120.200 0.005 0.000 2.308 1027 E HA 0.381 4.731 4.350 0.000 0.000 0.275 1027 E C -1.007 175.599 176.600 0.010 0.000 0.890 1027 E CA -0.468 55.937 56.400 0.008 0.000 0.754 1027 E CB 2.015 31.720 29.700 0.008 0.000 1.207 1027 E HN -0.229 nan 8.360 nan 0.000 0.426 1028 T N 2.110 116.672 114.554 0.013 0.000 2.863 1028 T HA 0.413 4.763 4.350 0.000 0.000 0.285 1028 T C -0.269 174.442 174.700 0.019 0.000 1.009 1028 T CA -0.795 61.315 62.100 0.016 0.000 0.989 1028 T CB 1.155 70.033 68.868 0.018 0.000 1.004 1028 T HN 0.225 nan 8.240 nan 0.000 0.455 1029 R N 1.641 122.152 120.500 0.018 0.000 2.298 1029 R HA 0.585 4.925 4.340 0.000 0.000 0.310 1029 R C -0.091 176.225 176.300 0.025 0.000 1.068 1029 R CA -0.457 55.655 56.100 0.021 0.000 0.957 1029 R CB 0.616 30.925 30.300 0.015 0.000 1.003 1029 R HN 0.533 nan 8.270 nan 0.000 0.454 1030 V N -0.963 118.971 119.914 0.034 0.000 3.130 1030 V HA 0.860 4.980 4.120 0.000 0.000 0.310 1030 V C -0.725 175.402 176.094 0.053 0.000 1.158 1030 V CA -1.289 61.036 62.300 0.042 0.000 1.029 1030 V CB 2.027 33.877 31.823 0.047 0.000 1.057 1030 V HN 0.773 nan 8.190 nan 0.000 0.436 1031 A N 3.206 126.062 122.820 0.060 0.000 2.290 1031 A HA 0.857 5.177 4.320 0.000 0.000 0.310 1031 A C -0.374 177.267 177.584 0.096 0.000 1.202 1031 A CA -0.645 51.439 52.037 0.078 0.000 0.837 1031 A CB 0.305 19.345 19.000 0.067 0.000 1.139 1031 A HN 0.876 nan 8.150 nan 0.000 0.509 1032 I N 1.570 122.215 120.570 0.124 0.000 2.406 1032 I HA 0.417 4.587 4.170 0.000 0.000 0.290 1032 I C -0.069 176.145 176.117 0.162 0.000 0.999 1032 I CA -0.590 60.783 61.300 0.122 0.000 1.124 1032 I CB 1.520 39.569 38.000 0.082 0.000 1.289 1032 I HN 0.742 nan 8.210 nan 0.000 0.441 1033 K N 4.393 124.887 120.400 0.157 0.000 2.185 1033 K HA 0.489 4.809 4.320 0.000 0.000 0.269 1033 K C -0.254 176.416 176.600 0.117 0.000 0.987 1033 K CA -0.316 56.071 56.287 0.167 0.000 0.865 1033 K CB 1.269 33.905 32.500 0.225 0.000 1.090 1033 K HN 0.807 nan 8.250 nan 0.000 0.450 1034 T N 0.356 114.954 114.554 0.075 0.000 2.771 1034 T HA 0.434 4.784 4.350 0.000 0.000 0.281 1034 T C -0.520 174.134 174.700 -0.076 0.000 0.982 1034 T CA -0.837 61.264 62.100 0.002 0.000 0.978 1034 T CB 1.101 69.959 68.868 -0.017 0.000 0.930 1034 T HN 0.172 nan 8.240 nan 0.000 0.447 1035 V N 5.632 125.463 119.914 -0.138 0.000 2.313 1035 V HA 0.342 4.462 4.120 0.000 0.000 0.278 1035 V C 0.725 176.750 176.094 -0.114 0.000 1.017 1035 V CA -1.129 61.042 62.300 -0.215 0.000 0.823 1035 V CB -0.012 31.551 31.823 -0.434 0.000 1.010 1035 V HN 1.075 nan 8.190 nan 0.000 0.443 1036 N N 2.941 121.592 118.700 -0.082 0.000 2.381 1036 N HA 0.132 4.872 4.740 0.000 0.000 0.254 1036 N C 1.107 176.588 175.510 -0.049 0.000 1.264 1036 N CA -0.586 52.433 53.050 -0.052 0.000 0.942 1036 N CB 0.990 39.458 38.487 -0.032 0.000 1.190 1036 N HN 0.587 nan 8.380 nan 0.000 0.495 1037 E N 0.334 120.513 120.200 -0.035 0.000 2.209 1037 E HA -0.228 4.122 4.350 0.000 0.000 0.196 1037 E C 1.084 177.667 176.600 -0.028 0.000 0.993 1037 E CA 1.135 57.518 56.400 -0.029 0.000 0.819 1037 E CB -0.330 29.359 29.700 -0.019 0.000 0.745 1037 E HN 0.724 nan 8.360 nan 0.000 0.477 1038 A N 0.611 123.416 122.820 -0.025 0.000 2.310 1038 A HA 0.418 4.738 4.320 0.000 0.000 0.230 1038 A C 0.714 178.283 177.584 -0.025 0.000 1.294 1038 A CA 0.511 52.536 52.037 -0.020 0.000 0.898 1038 A CB -0.408 18.583 19.000 -0.014 0.000 0.917 1038 A HN 0.265 nan 8.150 nan 0.000 0.491 1039 A N 0.260 123.057 122.820 -0.038 0.000 2.305 1039 A HA 0.618 4.938 4.320 0.000 0.000 0.322 1039 A C 0.526 178.083 177.584 -0.046 0.000 1.187 1039 A CA -0.412 51.598 52.037 -0.045 0.000 0.825 1039 A CB 0.409 19.364 19.000 -0.076 0.000 1.164 1039 A HN 0.440 nan 8.150 nan 0.000 0.498 1040 S N 2.445 118.122 115.700 -0.038 0.000 2.558 1040 S HA 0.068 4.538 4.470 0.000 0.000 0.288 1040 S C 1.378 175.939 174.600 -0.064 0.000 1.318 1040 S CA 0.319 58.496 58.200 -0.039 0.000 1.056 1040 S CB 0.261 63.444 63.200 -0.028 0.000 0.853 1040 S HN 0.907 nan 8.310 nan 0.000 0.505 1041 M N 2.340 121.905 119.600 -0.058 0.000 2.144 1041 M HA -0.211 4.269 4.480 0.000 0.000 0.260 1041 M C 2.199 178.427 176.300 -0.119 0.000 1.067 1041 M CA 1.603 56.852 55.300 -0.084 0.000 1.095 1041 M CB -0.136 32.435 32.600 -0.049 0.000 1.365 1041 M HN 0.636 nan 8.290 nan 0.000 0.406 1042 R N 0.484 120.934 120.500 -0.084 0.000 2.073 1042 R HA -0.138 4.202 4.340 0.000 0.000 0.234 1042 R C 1.924 178.157 176.300 -0.112 0.000 1.134 1042 R CA 2.060 58.110 56.100 -0.084 0.000 0.952 1042 R CB -0.460 29.816 30.300 -0.041 0.000 0.850 1042 R HN 0.574 nan 8.270 nan 0.000 0.433 1043 E N 0.106 120.249 120.200 -0.095 0.000 2.047 1043 E HA -0.205 4.145 4.350 0.000 0.000 0.191 1043 E C 2.089 178.529 176.600 -0.268 0.000 0.987 1043 E CA 0.794 57.120 56.400 -0.123 0.000 0.799 1043 E CB -0.309 29.372 29.700 -0.033 0.000 0.752 1043 E HN 0.306 nan 8.360 nan 0.000 0.449 1044 R N 0.857 121.232 120.500 -0.209 0.000 2.083 1044 R HA -0.109 4.231 4.340 0.000 0.000 0.237 1044 R C 2.492 178.637 176.300 -0.258 0.000 1.137 1044 R CA 1.185 57.167 56.100 -0.196 0.000 0.951 1044 R CB -0.306 29.904 30.300 -0.149 0.000 0.851 1044 R HN 0.108 nan 8.270 nan 0.000 0.434 1045 I N 0.620 120.981 120.570 -0.348 0.000 2.264 1045 I HA -0.260 3.910 4.170 0.000 0.000 0.248 1045 I C 2.511 178.385 176.117 -0.404 0.000 1.111 1045 I CA 1.371 62.339 61.300 -0.554 0.000 1.382 1045 I CB -0.274 37.378 38.000 -0.579 0.000 1.060 1045 I HN 0.403 nan 8.210 nan 0.000 0.418 1046 E N 0.403 120.420 120.200 -0.305 0.000 2.072 1046 E HA -0.237 4.113 4.350 0.000 0.000 0.190 1046 E C 2.125 178.525 176.600 -0.334 0.000 0.982 1046 E CA 1.115 57.368 56.400 -0.246 0.000 0.803 1046 E CB -0.048 29.558 29.700 -0.157 0.000 0.755 1046 E HN 0.419 nan 8.360 nan 0.000 0.453 1047 F N 1.350 120.829 119.950 -0.785 0.000 2.134 1047 F HA -0.209 4.318 4.527 0.000 0.000 0.299 1047 F C 1.917 177.486 175.800 -0.384 0.000 1.097 1047 F CA 0.971 58.446 58.000 -0.876 0.000 1.264 1047 F CB -0.159 38.133 39.000 -1.180 0.000 1.001 1047 F HN -0.008 nan 8.300 nan 0.000 0.479 1048 L N 0.479 121.413 121.223 -0.481 0.000 2.131 1048 L HA -0.210 4.130 4.340 0.000 0.000 0.210 1048 L C 1.995 178.649 176.870 -0.360 0.000 1.092 1048 L CA 1.745 56.309 54.840 -0.460 0.000 0.759 1048 L CB -1.802 40.099 42.059 -0.263 0.000 0.903 1048 L HN 0.340 nan 8.230 nan 0.000 0.435 1049 N N -0.400 118.135 118.700 -0.275 0.000 2.216 1049 N HA -0.198 4.542 4.740 0.000 0.000 0.183 1049 N C 1.736 177.119 175.510 -0.212 0.000 1.017 1049 N CA 0.684 53.629 53.050 -0.176 0.000 0.861 1049 N CB 0.143 38.567 38.487 -0.106 0.000 0.986 1049 N HN 0.338 nan 8.380 nan 0.000 0.428 1050 E N 0.759 120.827 120.200 -0.220 0.000 2.110 1050 E HA -0.137 4.213 4.350 0.000 0.000 0.193 1050 E C 1.860 178.313 176.600 -0.245 0.000 0.988 1050 E CA 0.940 57.242 56.400 -0.164 0.000 0.804 1050 E CB 0.041 29.721 29.700 -0.034 0.000 0.745 1050 E HN 0.363 nan 8.360 nan 0.000 0.458 1051 A N 0.388 122.983 122.820 -0.375 0.000 1.873 1051 A HA -0.162 4.158 4.320 0.000 0.000 0.215 1051 A C 2.305 179.601 177.584 -0.480 0.000 1.186 1051 A CA 1.670 53.454 52.037 -0.422 0.000 0.616 1051 A CB -0.639 18.048 19.000 -0.522 0.000 0.823 1051 A HN 0.307 nan 8.150 nan 0.000 0.442 1052 S N 0.240 115.672 115.700 -0.447 0.000 2.407 1052 S HA -0.213 4.257 4.470 0.000 0.000 0.235 1052 S C 1.807 176.107 174.600 -0.501 0.000 1.036 1052 S CA 1.660 59.583 58.200 -0.462 0.000 1.013 1052 S CB -0.912 62.109 63.200 -0.299 0.000 0.820 1052 S HN 0.416 nan 8.310 nan 0.000 0.476 1053 V N 2.321 121.947 119.914 -0.480 0.000 2.295 1053 V HA -0.224 3.896 4.120 0.000 0.000 0.246 1053 V C 2.451 177.888 176.094 -1.094 0.000 1.049 1053 V CA 1.697 63.616 62.300 -0.635 0.000 1.024 1053 V CB -0.894 30.605 31.823 -0.539 0.000 0.648 1053 V HN 0.448 nan 8.190 nan 0.000 0.447 1054 M N 0.579 119.613 119.600 -0.944 0.000 2.088 1054 M HA -0.302 4.178 4.480 0.000 0.000 0.256 1054 M C 2.671 178.445 176.300 -0.877 0.000 1.071 1054 M CA 3.053 57.767 55.300 -0.976 0.000 1.097 1054 M CB -1.381 30.925 32.600 -0.490 0.000 1.315 1054 M HN 0.554 nan 8.290 nan 0.000 0.406 1055 K N 0.731 120.628 120.400 -0.838 0.000 2.081 1055 K HA -0.319 4.001 4.320 0.000 0.000 0.222 1055 K C 1.663 178.157 176.600 -0.177 0.000 1.055 1055 K CA 2.748 58.516 56.287 -0.866 0.000 0.954 1055 K CB -1.859 30.095 32.500 -0.910 0.000 0.732 1055 K HN 0.640 nan 8.250 nan 0.000 0.458 1056 E N -0.839 119.153 120.200 -0.347 0.000 2.048 1056 E HA -0.106 4.244 4.350 0.000 0.000 0.202 1056 E C 0.219 176.876 176.600 0.094 0.000 1.021 1056 E CA 1.300 57.623 56.400 -0.128 0.000 0.825 1056 E CB -0.293 29.300 29.700 -0.177 0.000 0.756 1056 E HN 0.600 nan 8.360 nan 0.000 0.454 1057 F N 0.982 120.956 119.950 0.041 0.000 2.504 1057 F HA 0.184 4.711 4.527 0.000 0.000 0.369 1057 F C 0.566 176.502 175.800 0.226 0.000 1.082 1057 F CA -0.450 57.679 58.000 0.215 0.000 1.216 1057 F CB -0.084 38.974 39.000 0.097 0.000 1.108 1057 F HN 0.061 nan 8.300 nan 0.000 0.554 1058 N N 3.016 121.984 118.700 0.448 0.000 2.752 1058 N HA 0.306 5.046 4.740 0.000 0.000 0.260 1058 N C -1.656 173.778 175.510 -0.127 0.000 1.562 1058 N CA -0.246 52.904 53.050 0.166 0.000 0.788 1058 N CB 0.638 39.221 38.487 0.161 0.000 1.192 1058 N HN 0.695 nan 8.380 nan 0.000 0.503 1059 C N 1.685 120.799 119.300 -0.311 0.000 2.529 1059 C HA 0.398 4.858 4.460 0.000 0.000 0.329 1059 C C 1.684 176.544 174.990 -0.216 0.000 1.194 1059 C CA -0.338 58.356 59.018 -0.540 0.000 1.779 1059 C CB 1.040 28.165 27.740 -1.024 0.000 2.322 1059 C HN 0.871 nan 8.230 nan 0.000 0.500 1060 H N 0.506 119.378 119.070 -0.330 0.000 2.491 1060 H HA 0.067 4.623 4.556 0.000 0.000 0.290 1060 H C 0.924 176.018 175.328 -0.391 0.000 1.050 1060 H CA 1.980 57.807 56.048 -0.368 0.000 1.309 1060 H CB -0.097 29.370 29.762 -0.492 0.000 1.392 1060 H HN 0.858 nan 8.280 nan 0.000 0.554 1061 H N -1.145 117.897 119.070 -0.047 0.000 2.488 1061 H HA 0.367 4.923 4.556 0.000 0.000 0.294 1061 H C -0.813 174.522 175.328 0.012 0.000 1.088 1061 H CA -0.238 55.793 56.048 -0.028 0.000 1.086 1061 H CB 0.728 30.533 29.762 0.073 0.000 1.569 1061 H HN 0.002 nan 8.280 nan 0.000 0.548 1062 V N 1.610 121.571 119.914 0.079 0.000 2.525 1062 V HA 0.114 4.234 4.120 0.000 0.000 0.299 1062 V C 0.074 176.261 176.094 0.154 0.000 1.034 1062 V CA -1.124 61.288 62.300 0.187 0.000 0.863 1062 V CB 2.097 34.078 31.823 0.264 0.000 0.999 1062 V HN 0.037 nan 8.190 nan 0.000 0.423 1063 V N 5.387 125.400 119.914 0.166 0.000 2.584 1063 V HA 0.048 4.168 4.120 0.000 0.000 0.303 1063 V C 0.743 176.936 176.094 0.166 0.000 1.035 1063 V CA 0.309 62.683 62.300 0.123 0.000 1.172 1063 V CB -0.034 31.853 31.823 0.106 0.000 0.896 1063 V HN 0.972 nan 8.190 nan 0.000 0.486 1064 R N 5.108 125.676 120.500 0.113 0.000 2.486 1064 R HA 0.638 4.978 4.340 0.000 0.000 0.286 1064 R C -0.684 175.690 176.300 0.123 0.000 0.999 1064 R CA -0.854 55.322 56.100 0.127 0.000 0.993 1064 R CB 1.175 31.538 30.300 0.105 0.000 1.084 1064 R HN 0.684 nan 8.270 nan 0.000 0.487 1065 L N 4.824 126.132 121.223 0.142 0.000 2.305 1065 L HA 0.210 4.550 4.340 0.000 0.000 0.281 1065 L C 0.200 177.214 176.870 0.240 0.000 1.085 1065 L CA -0.236 54.695 54.840 0.151 0.000 0.813 1065 L CB 0.865 42.960 42.059 0.061 0.000 1.157 1065 L HN 0.833 nan 8.230 nan 0.000 0.436 1066 L N 4.726 126.055 121.223 0.177 0.000 2.590 1066 L HA 0.466 4.806 4.340 0.000 0.000 0.227 1066 L C 0.728 177.693 176.870 0.160 0.000 1.099 1066 L CA 0.354 55.278 54.840 0.140 0.000 0.872 1066 L CB 0.099 42.207 42.059 0.082 0.000 1.088 1066 L HN 0.851 nan 8.230 nan 0.000 0.479 1067 G N -0.149 108.786 108.800 0.225 0.000 2.353 1067 G HA2 0.251 4.211 3.960 0.000 0.000 0.308 1067 G HA3 0.251 4.211 3.960 0.000 0.000 0.308 1067 G C -2.020 172.972 174.900 0.154 0.000 1.418 1067 G CA -0.120 45.116 45.100 0.226 0.000 0.966 1067 G HN -0.184 nan 8.290 nan 0.000 0.638 1068 V N -0.212 119.787 119.914 0.143 0.000 2.623 1068 V HA 0.763 4.883 4.120 0.000 0.000 0.304 1068 V C -0.459 175.676 176.094 0.069 0.000 1.054 1068 V CA -0.780 61.569 62.300 0.082 0.000 0.882 1068 V CB 1.613 33.453 31.823 0.028 0.000 1.002 1068 V HN 1.194 nan 8.190 nan 0.000 0.424 1069 V N 6.885 126.831 119.914 0.054 0.000 2.455 1069 V HA 0.341 4.461 4.120 0.000 0.000 0.273 1069 V C 1.263 177.374 176.094 0.027 0.000 1.045 1069 V CA 0.956 63.278 62.300 0.036 0.000 0.976 1069 V CB 0.869 32.708 31.823 0.025 0.000 0.993 1069 V HN 1.169 nan 8.190 nan 0.000 0.475 1070 S N 3.214 118.924 115.700 0.016 0.000 2.599 1070 S HA 0.110 4.580 4.470 0.000 0.000 0.236 1070 S C 0.676 175.264 174.600 -0.019 0.000 1.077 1070 S CA -0.393 57.804 58.200 -0.004 0.000 0.906 1070 S CB 0.194 63.388 63.200 -0.010 0.000 0.804 1070 S HN 0.656 nan 8.310 nan 0.000 0.497 1071 Q N 2.418 122.214 119.800 -0.006 0.000 2.641 1071 Q HA 0.611 4.951 4.340 0.000 0.000 0.225 1071 Q C 0.176 176.175 176.000 -0.002 0.000 1.309 1071 Q CA 0.159 55.960 55.803 -0.003 0.000 0.935 1071 Q CB 0.093 28.838 28.738 0.012 0.000 1.557 1071 Q HN 0.644 nan 8.270 nan 0.000 0.563 1072 G N 0.564 109.359 108.800 -0.009 0.000 2.328 1072 G HA2 0.085 4.045 3.960 0.000 0.000 0.295 1072 G HA3 0.085 4.045 3.960 0.000 0.000 0.295 1072 G C -0.098 174.793 174.900 -0.014 0.000 1.413 1072 G CA -0.484 44.611 45.100 -0.008 0.000 0.817 1072 G HN 0.112 nan 8.290 nan 0.000 0.546 1073 Q N -0.584 119.207 119.800 -0.015 0.000 1.969 1073 Q HA 0.112 4.452 4.340 0.000 0.000 0.198 1073 Q C -1.286 174.700 176.000 -0.025 0.000 0.978 1073 Q CA 1.456 57.249 55.803 -0.017 0.000 0.830 1073 Q CB -0.983 27.746 28.738 -0.015 0.000 0.896 1073 Q HN 0.538 nan 8.270 nan 0.000 0.431 1074 P HA 0.178 nan 4.420 nan 0.000 0.293 1074 P C -0.903 176.384 177.300 -0.022 0.000 1.300 1074 P CA 0.030 63.109 63.100 -0.035 0.000 0.792 1074 P CB 1.114 32.786 31.700 -0.046 0.000 0.925 1075 T N 4.271 118.818 114.554 -0.012 0.000 2.851 1075 T HA 0.283 4.633 4.350 0.000 0.000 0.298 1075 T C 0.372 175.109 174.700 0.063 0.000 0.977 1075 T CA 0.025 62.144 62.100 0.030 0.000 1.126 1075 T CB -0.037 68.871 68.868 0.068 0.000 0.916 1075 T HN 0.212 nan 8.240 nan 0.000 0.529 1076 L N 3.628 124.892 121.223 0.070 0.000 2.317 1076 L HA 0.653 4.993 4.340 0.000 0.000 0.281 1076 L C -0.500 176.446 176.870 0.127 0.000 1.024 1076 L CA -1.133 53.758 54.840 0.085 0.000 0.810 1076 L CB 1.668 43.750 42.059 0.040 0.000 1.240 1076 L HN 0.294 nan 8.230 nan 0.000 0.427 1077 V N 4.002 124.019 119.914 0.172 0.000 2.378 1077 V HA 0.369 4.489 4.120 0.000 0.000 0.288 1077 V C -0.184 175.980 176.094 0.116 0.000 1.016 1077 V CA -0.422 61.962 62.300 0.140 0.000 0.840 1077 V CB 1.837 33.761 31.823 0.169 0.000 0.994 1077 V HN 0.442 nan 8.190 nan 0.000 0.431 1078 I N 6.378 127.003 120.570 0.092 0.000 2.297 1078 I HA 0.410 4.580 4.170 0.000 0.000 0.291 1078 I C 0.243 176.413 176.117 0.088 0.000 1.033 1078 I CA 0.341 61.693 61.300 0.086 0.000 1.253 1078 I CB 0.906 38.951 38.000 0.076 0.000 1.396 1078 I HN 0.412 nan 8.210 nan 0.000 0.476 1079 M N 4.485 124.136 119.600 0.084 0.000 2.644 1079 M HA 0.330 4.810 4.480 0.000 0.000 0.316 1079 M C 0.228 176.569 176.300 0.068 0.000 1.200 1079 M CA -0.717 54.632 55.300 0.081 0.000 0.944 1079 M CB 1.639 34.289 32.600 0.083 0.000 1.691 1079 M HN 0.563 nan 8.290 nan 0.000 0.471 1080 E N 2.322 122.560 120.200 0.063 0.000 2.480 1080 E HA 0.065 4.415 4.350 0.000 0.000 0.258 1080 E C -1.120 175.500 176.600 0.033 0.000 0.984 1080 E CA -0.120 56.307 56.400 0.044 0.000 0.930 1080 E CB 0.646 30.369 29.700 0.038 0.000 0.936 1080 E HN 0.597 nan 8.360 nan 0.000 0.466 1081 L N 5.628 126.866 121.223 0.024 0.000 2.418 1081 L HA 0.078 4.418 4.340 0.000 0.000 0.274 1081 L C -0.198 176.669 176.870 -0.006 0.000 1.135 1081 L CA -0.044 54.805 54.840 0.015 0.000 0.870 1081 L CB 0.473 42.540 42.059 0.014 0.000 1.154 1081 L HN 0.738 nan 8.230 nan 0.000 0.462 1082 M N 4.899 124.492 119.600 -0.011 0.000 2.385 1082 M HA 0.121 4.601 4.480 0.000 0.000 0.346 1082 M C 1.325 177.595 176.300 -0.050 0.000 1.180 1082 M CA -0.331 54.947 55.300 -0.036 0.000 1.154 1082 M CB 0.496 33.078 32.600 -0.030 0.000 1.251 1082 M HN 0.615 nan 8.290 nan 0.000 0.430 1083 T N -0.779 113.736 114.554 -0.065 0.000 2.869 1083 T HA -0.132 4.218 4.350 0.000 0.000 0.270 1083 T C 1.328 175.987 174.700 -0.069 0.000 1.082 1083 T CA 1.174 63.236 62.100 -0.063 0.000 1.123 1083 T CB -0.111 68.711 68.868 -0.078 0.000 0.856 1083 T HN 0.602 nan 8.240 nan 0.000 0.499 1084 R N 1.291 121.730 120.500 -0.101 0.000 2.359 1084 R HA 0.442 4.782 4.340 0.000 0.000 0.231 1084 R C 1.512 177.808 176.300 -0.007 0.000 0.913 1084 R CA 0.190 56.246 56.100 -0.074 0.000 1.075 1084 R CB -0.015 30.169 30.300 -0.194 0.000 1.087 1084 R HN 0.563 nan 8.270 nan 0.000 0.515 1085 G N 2.543 111.334 108.800 -0.015 0.000 2.698 1085 G HA2 -0.282 3.678 3.960 0.000 0.000 0.233 1085 G HA3 -0.282 3.678 3.960 0.000 0.000 0.233 1085 G C -0.555 174.354 174.900 0.015 0.000 1.352 1085 G CA -0.175 44.931 45.100 0.010 0.000 0.879 1085 G HN 0.450 nan 8.290 nan 0.000 0.567 1086 D N -0.477 119.941 120.400 0.030 0.000 2.360 1086 D HA 0.282 4.922 4.640 0.000 0.000 0.242 1086 D C 1.648 177.995 176.300 0.079 0.000 1.184 1086 D CA -0.189 53.830 54.000 0.031 0.000 0.930 1086 D CB 1.230 42.041 40.800 0.017 0.000 1.161 1086 D HN 0.592 nan 8.370 nan 0.000 0.447 1087 L N 0.543 121.811 121.223 0.074 0.000 2.109 1087 L HA -0.080 4.260 4.340 0.000 0.000 0.207 1087 L C 2.340 179.312 176.870 0.171 0.000 1.086 1087 L CA 1.571 56.490 54.840 0.131 0.000 0.760 1087 L CB -0.785 41.330 42.059 0.093 0.000 0.910 1087 L HN 0.522 nan 8.230 nan 0.000 0.437 1088 K N -0.991 119.479 120.400 0.116 0.000 2.002 1088 K HA -0.136 4.184 4.320 0.000 0.000 0.209 1088 K C 2.058 178.719 176.600 0.100 0.000 1.048 1088 K CA 1.682 58.036 56.287 0.111 0.000 0.930 1088 K CB -0.113 32.442 32.500 0.091 0.000 0.714 1088 K HN 0.341 nan 8.250 nan 0.000 0.438 1089 S N 0.146 115.903 115.700 0.094 0.000 2.382 1089 S HA -0.177 4.293 4.470 0.000 0.000 0.228 1089 S C 1.626 176.286 174.600 0.099 0.000 1.027 1089 S CA 1.333 59.580 58.200 0.078 0.000 0.991 1089 S CB -0.433 62.808 63.200 0.068 0.000 0.823 1089 S HN 0.438 nan 8.310 nan 0.000 0.469 1090 Y N 2.179 122.499 120.300 0.033 0.000 2.163 1090 Y HA -0.018 4.532 4.550 0.000 0.000 0.288 1090 Y C 1.853 177.778 175.900 0.043 0.000 1.136 1090 Y CA 1.128 59.255 58.100 0.046 0.000 1.147 1090 Y CB -0.463 38.035 38.460 0.062 0.000 0.987 1090 Y HN 0.116 nan 8.280 nan 0.000 0.509 1091 L N -0.038 121.204 121.223 0.031 0.000 2.042 1091 L HA -0.275 4.065 4.340 0.000 0.000 0.210 1091 L C 2.680 179.471 176.870 -0.132 0.000 1.076 1091 L CA 1.433 56.228 54.840 -0.075 0.000 0.749 1091 L CB -0.563 41.520 42.059 0.039 0.000 0.893 1091 L HN 0.176 nan 8.230 nan 0.000 0.432 1092 R N 0.028 120.489 120.500 -0.064 0.000 2.120 1092 R HA -0.123 4.217 4.340 0.000 0.000 0.234 1092 R C 2.480 178.726 176.300 -0.091 0.000 1.123 1092 R CA 1.685 57.750 56.100 -0.057 0.000 0.975 1092 R CB -0.724 29.568 30.300 -0.013 0.000 0.866 1092 R HN 0.528 nan 8.270 nan 0.000 0.446 1093 S N 0.484 116.107 115.700 -0.128 0.000 2.481 1093 S HA 0.006 4.476 4.470 0.000 0.000 0.231 1093 S C 1.955 176.456 174.600 -0.164 0.000 0.996 1093 S CA 0.493 58.619 58.200 -0.123 0.000 0.942 1093 S CB -0.284 62.855 63.200 -0.100 0.000 0.768 1093 S HN 0.234 nan 8.310 nan 0.000 0.520 1094 L N 0.678 121.756 121.223 -0.241 0.000 2.610 1094 L HA 0.159 4.499 4.340 0.000 0.000 0.232 1094 L C 0.970 177.760 176.870 -0.133 0.000 1.149 1094 L CA 0.097 54.807 54.840 -0.216 0.000 0.872 1094 L CB -0.307 41.584 42.059 -0.279 0.000 0.992 1094 L HN 0.210 nan 8.230 nan 0.000 0.447 1095 R N 0.488 120.923 120.500 -0.109 0.000 2.539 1095 R HA 0.317 4.657 4.340 0.000 0.000 0.275 1095 R C -1.779 174.483 176.300 -0.063 0.000 1.077 1095 R CA -1.720 54.332 56.100 -0.079 0.000 1.097 1095 R CB -0.425 29.835 30.300 -0.066 0.000 1.018 1095 R HN -0.106 nan 8.270 nan 0.000 0.483 1107 P HA 0.509 nan 4.420 nan 0.000 0.305 1107 P C -0.204 177.068 177.300 -0.046 0.000 1.378 1107 P CA -0.434 62.641 63.100 -0.043 0.000 0.926 1107 P CB 1.366 33.053 31.700 -0.022 0.000 1.051 1108 S N 2.055 117.728 115.700 -0.044 0.000 2.580 1108 S HA 0.056 4.526 4.470 0.000 0.000 0.266 1108 S C 1.329 175.906 174.600 -0.038 0.000 1.354 1108 S CA -0.719 57.456 58.200 -0.041 0.000 1.008 1108 S CB 0.359 63.536 63.200 -0.039 0.000 0.898 1108 S HN 0.493 nan 8.310 nan 0.000 0.555 1109 L N 0.924 122.126 121.223 -0.036 0.000 2.043 1109 L HA -0.162 4.178 4.340 0.000 0.000 0.212 1109 L C 2.692 179.542 176.870 -0.034 0.000 1.075 1109 L CA 1.907 56.727 54.840 -0.034 0.000 0.752 1109 L CB -0.903 41.138 42.059 -0.030 0.000 0.891 1109 L HN 0.924 nan 8.230 nan 0.000 0.432 1110 S N -0.409 115.271 115.700 -0.033 0.000 2.351 1110 S HA -0.193 4.277 4.470 0.000 0.000 0.220 1110 S C 1.869 176.448 174.600 -0.034 0.000 1.035 1110 S CA 1.313 59.493 58.200 -0.034 0.000 1.031 1110 S CB -0.058 63.123 63.200 -0.031 0.000 0.928 1110 S HN 0.315 nan 8.310 nan 0.000 0.433 1111 K N 1.196 121.578 120.400 -0.031 0.000 2.044 1111 K HA -0.067 4.253 4.320 0.000 0.000 0.210 1111 K C 2.057 178.650 176.600 -0.010 0.000 1.049 1111 K CA 1.508 57.782 56.287 -0.021 0.000 0.927 1111 K CB -0.825 31.660 32.500 -0.023 0.000 0.713 1111 K HN 0.470 nan 8.250 nan 0.000 0.443 1112 M N 0.029 119.618 119.600 -0.017 0.000 2.086 1112 M HA -0.156 4.324 4.480 0.000 0.000 0.261 1112 M C 2.032 178.318 176.300 -0.023 0.000 1.067 1112 M CA 1.183 56.473 55.300 -0.017 0.000 1.116 1112 M CB -0.434 32.147 32.600 -0.031 0.000 1.348 1112 M HN -0.037 nan 8.290 nan 0.000 0.407 1113 I N 0.734 121.282 120.570 -0.036 0.000 2.151 1113 I HA -0.301 3.869 4.170 0.000 0.000 0.243 1113 I C 2.562 178.637 176.117 -0.070 0.000 1.080 1113 I CA 1.794 63.065 61.300 -0.050 0.000 1.339 1113 I CB -1.421 36.541 38.000 -0.062 0.000 1.039 1113 I HN 0.364 nan 8.210 nan 0.000 0.409 1114 Q N 0.372 120.131 119.800 -0.068 0.000 2.077 1114 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 1114 Q C 2.294 178.266 176.000 -0.047 0.000 0.989 1114 Q CA 1.947 57.703 55.803 -0.078 0.000 0.853 1114 Q CB -0.231 28.490 28.738 -0.029 0.000 0.907 1114 Q HN 0.475 nan 8.270 nan 0.000 0.418 1115 M N -1.094 118.503 119.600 -0.006 0.000 2.132 1115 M HA -0.113 4.367 4.480 0.000 0.000 0.263 1115 M C 2.157 178.481 176.300 0.040 0.000 1.065 1115 M CA 1.452 56.765 55.300 0.021 0.000 1.122 1115 M CB -0.333 32.288 32.600 0.035 0.000 1.365 1115 M HN 0.331 nan 8.290 nan 0.000 0.411 1116 A N 0.380 123.224 122.820 0.041 0.000 1.933 1116 A HA -0.033 4.287 4.320 0.000 0.000 0.218 1116 A C 2.314 180.024 177.584 0.211 0.000 1.175 1116 A CA 1.880 54.005 52.037 0.147 0.000 0.628 1116 A CB -1.362 17.700 19.000 0.103 0.000 0.814 1116 A HN 0.553 nan 8.150 nan 0.000 0.444 1117 G N -0.633 108.176 108.800 0.015 0.000 2.394 1117 G HA2 -0.132 3.828 3.960 0.000 0.000 0.215 1117 G HA3 -0.132 3.828 3.960 0.000 0.000 0.215 1117 G C 1.400 176.267 174.900 -0.055 0.000 1.165 1117 G CA 0.806 45.853 45.100 -0.088 0.000 0.784 1117 G HN 0.619 nan 8.290 nan 0.000 0.535 1118 E N -0.157 119.981 120.200 -0.104 0.000 2.153 1118 E HA -0.026 4.324 4.350 0.000 0.000 0.194 1118 E C 2.358 178.878 176.600 -0.133 0.000 0.988 1118 E CA 0.407 56.651 56.400 -0.261 0.000 0.811 1118 E CB -0.054 29.550 29.700 -0.162 0.000 0.746 1118 E HN 0.474 nan 8.360 nan 0.000 0.466 1119 I N 0.626 121.222 120.570 0.043 0.000 2.333 1119 I HA -0.165 4.005 4.170 0.000 0.000 0.246 1119 I C 2.459 178.598 176.117 0.037 0.000 1.106 1119 I CA 0.607 61.978 61.300 0.118 0.000 1.411 1119 I CB -0.130 38.036 38.000 0.277 0.000 1.082 1119 I HN 0.054 nan 8.210 nan 0.000 0.420 1120 A N 0.439 123.292 122.820 0.055 0.000 1.883 1120 A HA -0.316 4.004 4.320 0.000 0.000 0.217 1120 A C 1.960 179.471 177.584 -0.120 0.000 1.186 1120 A CA 2.433 54.356 52.037 -0.189 0.000 0.624 1120 A CB -0.805 18.132 19.000 -0.104 0.000 0.822 1120 A HN 0.441 nan 8.150 nan 0.000 0.444 1121 D N -0.764 119.662 120.400 0.043 0.000 2.092 1121 D HA -0.078 4.562 4.640 0.000 0.000 0.193 1121 D C 2.038 178.430 176.300 0.155 0.000 0.994 1121 D CA 1.960 56.078 54.000 0.195 0.000 0.828 1121 D CB -0.542 40.432 40.800 0.289 0.000 0.963 1121 D HN 0.301 nan 8.370 nan 0.000 0.450 1122 G N -0.147 108.719 108.800 0.109 0.000 2.442 1122 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 1122 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 1122 G C 1.512 176.376 174.900 -0.059 0.000 1.141 1122 G CA 0.799 45.956 45.100 0.096 0.000 0.763 1122 G HN 0.211 nan 8.290 nan 0.000 0.554 1123 M N 0.891 120.310 119.600 -0.302 0.000 2.319 1123 M HA 0.159 4.639 4.480 0.000 0.000 0.265 1123 M C 2.895 178.886 176.300 -0.514 0.000 1.068 1123 M CA 0.922 55.839 55.300 -0.638 0.000 1.118 1123 M CB -0.851 30.788 32.600 -1.602 0.000 1.395 1123 M HN 0.327 nan 8.290 nan 0.000 0.435 1124 A N -0.874 121.789 122.820 -0.262 0.000 1.897 1124 A HA -0.195 4.125 4.320 0.000 0.000 0.215 1124 A C 2.091 179.551 177.584 -0.206 0.000 1.181 1124 A CA 1.092 53.158 52.037 0.049 0.000 0.620 1124 A CB -1.005 18.203 19.000 0.346 0.000 0.821 1124 A HN 0.452 nan 8.150 nan 0.000 0.443 1125 Y N 0.527 120.465 120.300 -0.603 0.000 2.128 1125 Y HA -0.185 4.365 4.550 0.000 0.000 0.284 1125 Y C 2.041 177.619 175.900 -0.537 0.000 1.154 1125 Y CA 1.554 59.062 58.100 -0.986 0.000 1.149 1125 Y CB -0.295 37.773 38.460 -0.654 0.000 0.976 1125 Y HN 0.197 nan 8.280 nan 0.000 0.505 1126 L N 0.202 121.191 121.223 -0.389 0.000 2.012 1126 L HA -0.326 4.014 4.340 0.000 0.000 0.210 1126 L C 1.866 178.601 176.870 -0.225 0.000 1.073 1126 L CA 2.418 57.024 54.840 -0.389 0.000 0.748 1126 L CB -0.825 41.121 42.059 -0.188 0.000 0.891 1126 L HN 0.421 nan 8.230 nan 0.000 0.431 1127 N N -0.690 117.938 118.700 -0.121 0.000 2.331 1127 N HA -0.090 4.650 4.740 0.000 0.000 0.180 1127 N C 1.825 177.291 175.510 -0.073 0.000 1.019 1127 N CA 0.760 53.800 53.050 -0.016 0.000 0.881 1127 N CB 0.005 38.569 38.487 0.128 0.000 0.972 1127 N HN 0.312 nan 8.380 nan 0.000 0.435 1128 A N 1.478 124.204 122.820 -0.157 0.000 1.933 1128 A HA -0.076 4.244 4.320 0.000 0.000 0.218 1128 A C 1.508 178.990 177.584 -0.169 0.000 1.175 1128 A CA 1.049 53.015 52.037 -0.118 0.000 0.628 1128 A CB -0.195 18.719 19.000 -0.144 0.000 0.814 1128 A HN 0.316 nan 8.150 nan 0.000 0.444 1129 N N 0.100 118.630 118.700 -0.282 0.000 2.322 1129 N HA 0.037 4.777 4.740 0.000 0.000 0.216 1129 N C -0.708 174.590 175.510 -0.352 0.000 1.144 1129 N CA -0.063 52.840 53.050 -0.246 0.000 0.830 1129 N CB 0.337 38.703 38.487 -0.202 0.000 1.034 1129 N HN 0.057 nan 8.380 nan 0.000 0.484 1130 K N 0.517 120.749 120.400 -0.280 0.000 3.372 1130 K HA -0.154 4.166 4.320 0.000 0.000 0.272 1130 K C -1.226 175.066 176.600 -0.514 0.000 1.037 1130 K CA 0.829 56.923 56.287 -0.322 0.000 0.777 1130 K CB -1.986 30.326 32.500 -0.312 0.000 1.347 1130 K HN 0.193 nan 8.250 nan 0.000 0.460 1131 F N -1.038 118.869 119.950 -0.073 0.000 2.565 1131 F HA 0.469 4.996 4.527 0.000 0.000 0.313 1131 F C 0.510 176.310 175.800 0.000 0.000 1.091 1131 F CA -1.115 56.860 58.000 -0.041 0.000 0.915 1131 F CB 1.747 40.698 39.000 -0.081 0.000 1.208 1131 F HN -0.193 nan 8.300 nan 0.000 0.453 1132 V N 3.252 123.327 119.914 0.269 0.000 2.435 1132 V HA 0.177 4.297 4.120 0.000 0.000 0.290 1132 V C 0.852 177.089 176.094 0.239 0.000 1.030 1132 V CA -0.505 61.933 62.300 0.231 0.000 0.881 1132 V CB 1.294 33.236 31.823 0.198 0.000 0.983 1132 V HN 0.840 nan 8.190 nan 0.000 0.445 1133 H N 4.520 123.693 119.070 0.172 0.000 2.403 1133 H HA 0.034 4.590 4.556 0.000 0.000 0.298 1133 H C 1.710 177.095 175.328 0.094 0.000 1.059 1133 H CA 1.800 57.933 56.048 0.143 0.000 1.363 1133 H CB 0.384 30.220 29.762 0.124 0.000 1.410 1133 H HN 0.756 nan 8.280 nan 0.000 0.528 1134 R N -1.089 119.618 120.500 0.345 0.000 4.037 1134 R HA -0.202 4.138 4.340 0.000 0.000 0.418 1134 R C -0.043 176.421 176.300 0.273 0.000 0.701 1134 R CA 1.693 57.939 56.100 0.243 0.000 1.660 1134 R CB -1.422 28.811 30.300 -0.111 0.000 2.238 1134 R HN 0.283 nan 8.270 nan 0.000 0.429 1135 D N 0.439 121.057 120.400 0.364 0.000 2.891 1135 D HA 0.184 4.824 4.640 0.000 0.000 0.332 1135 D C -1.092 175.205 176.300 -0.005 0.000 1.369 1135 D CA -0.387 53.736 54.000 0.204 0.000 0.827 1135 D CB 0.328 41.243 40.800 0.192 0.000 1.141 1135 D HN 0.007 nan 8.370 nan 0.000 0.464 1136 L N 1.471 122.659 121.223 -0.058 0.000 2.313 1136 L HA 0.656 4.996 4.340 0.000 0.000 0.282 1136 L C -0.534 176.310 176.870 -0.044 0.000 1.092 1136 L CA 0.057 54.770 54.840 -0.212 0.000 0.831 1136 L CB 0.541 42.580 42.059 -0.033 0.000 1.159 1136 L HN 0.143 nan 8.230 nan 0.000 0.442 1137 A N 3.861 126.587 122.820 -0.157 0.000 2.601 1137 A HA 0.708 5.028 4.320 0.000 0.000 0.291 1137 A C 0.448 178.008 177.584 -0.040 0.000 1.075 1137 A CA -0.130 51.806 52.037 -0.168 0.000 0.671 1137 A CB 0.535 18.976 19.000 -0.932 0.000 1.277 1137 A HN 0.971 nan 8.150 nan 0.000 0.417 1138 A N 0.450 123.339 122.820 0.116 0.000 2.019 1138 A HA -0.114 4.206 4.320 0.000 0.000 0.219 1138 A C 1.954 179.557 177.584 0.032 0.000 1.164 1138 A CA 1.913 54.013 52.037 0.104 0.000 0.644 1138 A CB -0.564 18.544 19.000 0.180 0.000 0.805 1138 A HN 1.042 nan 8.150 nan 0.000 0.449 1139 R N -0.625 119.856 120.500 -0.033 0.000 2.189 1139 R HA -0.054 4.286 4.340 0.000 0.000 0.223 1139 R C 0.805 177.063 176.300 -0.070 0.000 1.092 1139 R CA 1.618 57.685 56.100 -0.056 0.000 0.989 1139 R CB -0.426 29.804 30.300 -0.117 0.000 0.876 1139 R HN 0.374 nan 8.270 nan 0.000 0.457 1140 N N 0.209 118.851 118.700 -0.098 0.000 2.373 1140 N HA 0.050 4.790 4.740 0.000 0.000 0.181 1140 N C -0.173 175.291 175.510 -0.078 0.000 1.082 1140 N CA 0.277 53.267 53.050 -0.100 0.000 0.885 1140 N CB 0.254 38.663 38.487 -0.129 0.000 0.977 1140 N HN 0.177 nan 8.380 nan 0.000 0.462 1141 C N 1.803 121.075 119.300 -0.046 0.000 2.405 1141 C HA 0.517 4.977 4.460 0.000 0.000 0.365 1141 C C 0.564 175.549 174.990 -0.009 0.000 1.233 1141 C CA -0.822 58.184 59.018 -0.020 0.000 2.230 1141 C CB 0.551 28.296 27.740 0.007 0.000 2.443 1141 C HN 0.198 nan 8.230 nan 0.000 0.556 1142 M N 1.847 121.442 119.600 -0.009 0.000 2.664 1142 M HA 0.603 5.083 4.480 0.000 0.000 0.314 1142 M C -0.750 175.524 176.300 -0.043 0.000 1.200 1142 M CA -0.610 54.678 55.300 -0.019 0.000 0.916 1142 M CB 1.403 33.994 32.600 -0.015 0.000 1.717 1142 M HN 0.338 nan 8.290 nan 0.000 0.470 1143 V N 1.080 120.943 119.914 -0.085 0.000 2.487 1143 V HA 0.715 4.835 4.120 0.000 0.000 0.298 1143 V C 0.168 176.158 176.094 -0.173 0.000 1.028 1143 V CA -0.965 61.239 62.300 -0.160 0.000 0.860 1143 V CB 1.446 33.074 31.823 -0.325 0.000 0.991 1143 V HN 1.032 nan 8.190 nan 0.000 0.427 1144 A N 2.655 125.379 122.820 -0.160 0.000 2.246 1144 A HA 0.554 4.874 4.320 0.000 0.000 0.291 1144 A C 1.253 178.673 177.584 -0.272 0.000 1.103 1144 A CA 0.010 51.954 52.037 -0.155 0.000 0.844 1144 A CB 0.343 19.289 19.000 -0.089 0.000 1.136 1144 A HN 0.942 nan 8.150 nan 0.000 0.500 1145 E N 0.320 120.389 120.200 -0.218 0.000 2.147 1145 E HA -0.232 4.118 4.350 0.000 0.000 0.199 1145 E C 0.773 177.143 176.600 -0.383 0.000 1.005 1145 E CA 2.142 58.377 56.400 -0.274 0.000 0.810 1145 E CB -0.089 29.531 29.700 -0.133 0.000 0.736 1145 E HN 0.700 nan 8.360 nan 0.000 0.460 1146 D N -1.251 119.031 120.400 -0.198 0.000 2.460 1146 D HA -0.051 4.589 4.640 0.000 0.000 0.229 1146 D C -0.147 176.220 176.300 0.112 0.000 1.170 1146 D CA -0.375 53.613 54.000 -0.021 0.000 0.827 1146 D CB -0.836 40.015 40.800 0.085 0.000 0.973 1146 D HN 0.281 nan 8.370 nan 0.000 0.496 1147 F N -1.029 118.896 119.950 -0.042 0.000 2.973 1147 F HA -0.258 4.269 4.527 0.000 0.000 0.299 1147 F C 0.500 176.260 175.800 -0.067 0.000 0.737 1147 F CA 0.832 58.771 58.000 -0.103 0.000 1.151 1147 F CB -2.661 36.300 39.000 -0.066 0.000 1.440 1147 F HN -0.071 nan 8.300 nan 0.000 0.367 1148 T N 1.565 116.173 114.554 0.089 0.000 2.916 1148 T HA 0.451 4.801 4.350 0.000 0.000 0.303 1148 T C 0.553 175.280 174.700 0.045 0.000 1.025 1148 T CA -0.277 61.888 62.100 0.108 0.000 1.142 1148 T CB 1.457 70.406 68.868 0.135 0.000 0.947 1148 T HN 0.041 nan 8.240 nan 0.000 0.544 1149 V N 4.289 124.245 119.914 0.069 0.000 2.612 1149 V HA 0.551 4.671 4.120 0.000 0.000 0.301 1149 V C 0.032 176.174 176.094 0.080 0.000 1.046 1149 V CA -0.668 61.656 62.300 0.040 0.000 0.946 1149 V CB 1.571 33.414 31.823 0.034 0.000 1.003 1149 V HN 0.812 nan 8.190 nan 0.000 0.459 1150 K N 3.481 123.914 120.400 0.055 0.000 2.527 1150 K HA 0.580 4.900 4.320 0.000 0.000 0.260 1150 K C -1.517 175.122 176.600 0.065 0.000 0.937 1150 K CA -0.960 55.376 56.287 0.083 0.000 0.826 1150 K CB 2.143 34.674 32.500 0.050 0.000 1.359 1150 K HN 0.265 nan 8.250 nan 0.000 0.434 1151 I N 1.474 122.102 120.570 0.097 0.000 2.692 1151 I HA 0.096 4.266 4.170 0.000 0.000 0.284 1151 I C 1.219 177.363 176.117 0.045 0.000 1.159 1151 I CA 0.513 61.853 61.300 0.067 0.000 1.423 1151 I CB 0.523 38.616 38.000 0.155 0.000 1.380 1151 I HN 1.091 nan 8.210 nan 0.000 0.580 1152 G N 3.635 112.343 108.800 -0.152 0.000 2.801 1152 G HA2 0.009 3.969 3.960 0.000 0.000 0.191 1152 G HA3 0.009 3.969 3.960 0.000 0.000 0.191 1152 G C -0.198 174.508 174.900 -0.323 0.000 1.223 1152 G CA 0.065 45.076 45.100 -0.150 0.000 0.904 1152 G HN 0.548 nan 8.290 nan 0.000 0.789 1153 D N -0.107 119.947 120.400 -0.576 0.000 2.402 1153 D HA 0.371 5.011 4.640 0.000 0.000 0.252 1153 D C -0.559 175.402 176.300 -0.565 0.000 1.294 1153 D CA -0.830 52.928 54.000 -0.404 0.000 0.948 1153 D CB 0.617 41.319 40.800 -0.163 0.000 1.202 1153 D HN 0.029 nan 8.370 nan 0.000 0.561 1154 F N 1.086 120.968 119.950 -0.113 0.000 2.641 1154 F HA 0.286 4.813 4.527 0.000 0.000 0.302 1154 F C 2.314 178.004 175.800 -0.183 0.000 1.098 1154 F CA -0.439 57.413 58.000 -0.247 0.000 1.318 1154 F CB 0.822 39.716 39.000 -0.176 0.000 1.035 1154 F HN 0.489 nan 8.300 nan 0.000 0.551 1155 G N 0.241 109.044 108.800 0.005 0.000 2.499 1155 G HA2 -0.283 3.677 3.960 0.000 0.000 0.221 1155 G HA3 -0.283 3.677 3.960 0.000 0.000 0.221 1155 G C 1.469 176.359 174.900 -0.016 0.000 1.109 1155 G CA 0.919 46.030 45.100 0.018 0.000 0.749 1155 G HN 0.267 nan 8.290 nan 0.000 0.568 1156 M N 0.727 120.292 119.600 -0.059 0.000 2.308 1156 M HA 0.222 4.702 4.480 0.000 0.000 0.269 1156 M C 1.294 177.545 176.300 -0.082 0.000 1.040 1156 M CA -0.004 55.254 55.300 -0.071 0.000 1.024 1156 M CB 0.550 33.113 32.600 -0.061 0.000 1.465 1156 M HN 0.104 nan 8.290 nan 0.000 0.517 1157 T N 0.498 115.003 114.554 -0.081 0.000 2.907 1157 T HA 0.489 4.839 4.350 0.000 0.000 0.298 1157 T C 0.135 174.847 174.700 0.020 0.000 1.017 1157 T CA -0.530 61.545 62.100 -0.041 0.000 1.118 1157 T CB 0.944 69.780 68.868 -0.053 0.000 0.948 1157 T HN 0.119 nan 8.240 nan 0.000 0.531 1158 R N 2.093 122.665 120.500 0.120 0.000 2.803 1158 R HA 0.443 4.784 4.340 0.000 0.000 0.276 1158 R C -0.750 175.785 176.300 0.392 0.000 0.978 1158 R CA -0.873 55.336 56.100 0.181 0.000 0.939 1158 R CB 1.585 31.930 30.300 0.074 0.000 1.179 1158 R HN 0.819 nan 8.270 nan 0.000 0.472 1159 D N 2.052 122.646 120.400 0.324 0.000 2.302 1159 D HA 0.392 5.032 4.640 0.000 0.000 0.248 1159 D C 0.116 176.397 176.300 -0.032 0.000 1.094 1159 D CA -0.221 53.819 54.000 0.067 0.000 0.897 1159 D CB 0.724 41.542 40.800 0.031 0.000 1.200 1159 D HN 0.469 nan 8.370 nan 0.000 0.429 1163 T N 0.101 114.643 114.554 -0.019 0.000 12.518 1163 T HA -0.283 4.067 4.350 0.000 0.000 0.408 1163 T C 0.441 175.128 174.700 -0.022 0.000 1.526 1163 T CA 0.954 63.046 62.100 -0.013 0.000 2.493 1163 T CB -1.715 67.150 68.868 -0.004 0.000 2.732 1163 T HN 0.753 nan 8.240 nan 0.000 0.713 1168 K N 1.977 122.493 120.400 0.193 0.000 2.276 1168 K HA 0.373 4.693 4.320 0.000 0.000 0.283 1168 K C 0.680 177.334 176.600 0.090 0.000 1.044 1168 K CA 0.649 57.019 56.287 0.139 0.000 0.944 1168 K CB 1.355 33.973 32.500 0.197 0.000 1.012 1168 K HN 0.655 nan 8.250 nan 0.000 0.472 1169 G N 2.322 111.158 108.800 0.061 0.000 2.447 1169 G HA2 0.096 4.056 3.960 0.000 0.000 0.211 1169 G HA3 0.096 4.056 3.960 0.000 0.000 0.211 1169 G C 0.597 175.521 174.900 0.040 0.000 1.184 1169 G CA 0.520 45.646 45.100 0.044 0.000 0.813 1169 G HN 0.715 nan 8.290 nan 0.000 0.540 1170 G N -0.484 108.338 108.800 0.038 0.000 3.019 1170 G HA2 0.447 4.407 3.960 0.000 0.000 0.152 1170 G HA3 0.447 4.407 3.960 0.000 0.000 0.152 1170 G C -0.522 174.401 174.900 0.038 0.000 1.320 1170 G CA -0.507 44.613 45.100 0.033 0.000 1.013 1170 G HN 0.059 nan 8.290 nan 0.000 0.593 1171 K N 0.625 121.045 120.400 0.032 0.000 2.401 1171 K HA 0.352 4.672 4.320 0.000 0.000 0.278 1171 K C 0.225 176.849 176.600 0.040 0.000 1.018 1171 K CA 0.127 56.434 56.287 0.035 0.000 0.981 1171 K CB 0.704 33.221 32.500 0.027 0.000 0.933 1171 K HN 0.505 nan 8.250 nan 0.000 0.477 1172 G N 2.359 111.190 108.800 0.052 0.000 2.448 1172 G HA2 0.521 4.481 3.960 0.000 0.000 0.324 1172 G HA3 0.521 4.481 3.960 0.000 0.000 0.324 1172 G C 0.191 175.123 174.900 0.054 0.000 1.203 1172 G CA -0.603 44.531 45.100 0.057 0.000 0.954 1172 G HN 0.542 nan 8.290 nan 0.000 0.480 1173 L N 1.465 122.713 121.223 0.042 0.000 2.857 1173 L HA 0.313 4.653 4.340 0.000 0.000 0.249 1173 L C 0.401 177.300 176.870 0.048 0.000 1.172 1173 L CA -0.142 54.721 54.840 0.038 0.000 0.980 1173 L CB 0.060 42.131 42.059 0.019 0.000 1.299 1173 L HN 0.224 nan 8.230 nan 0.000 0.535 1174 L N 2.269 123.535 121.223 0.071 0.000 2.455 1174 L HA 0.158 4.498 4.340 0.000 0.000 0.272 1174 L C -1.769 175.183 176.870 0.136 0.000 1.174 1174 L CA -1.702 53.197 54.840 0.097 0.000 0.869 1174 L CB 0.074 42.221 42.059 0.148 0.000 1.130 1174 L HN -0.129 nan 8.230 nan 0.000 0.474 1175 P HA -0.071 nan 4.420 nan 0.000 0.260 1175 P C 0.913 178.406 177.300 0.322 0.000 1.185 1175 P CA -0.157 63.084 63.100 0.234 0.000 0.763 1175 P CB 0.577 32.432 31.700 0.258 0.000 0.776 1176 V N 2.895 122.950 119.914 0.236 0.000 2.594 1176 V HA -0.251 3.869 4.120 0.000 0.000 0.253 1176 V C 1.737 177.955 176.094 0.208 0.000 1.069 1176 V CA 1.244 63.648 62.300 0.173 0.000 1.082 1176 V CB -1.064 30.802 31.823 0.071 0.000 0.680 1176 V HN 0.414 nan 8.190 nan 0.000 0.469 1177 R N -0.810 119.871 120.500 0.302 0.000 2.237 1177 R HA -0.036 4.304 4.340 0.000 0.000 0.219 1177 R C 1.795 178.159 176.300 0.107 0.000 1.080 1177 R CA 1.573 57.775 56.100 0.171 0.000 0.995 1177 R CB -0.318 29.990 30.300 0.013 0.000 0.875 1177 R HN 0.641 nan 8.270 nan 0.000 0.462 1178 W N 0.240 121.691 121.300 0.251 0.000 3.127 1178 W HA 0.308 4.968 4.660 0.000 0.000 0.344 1178 W C 0.239 176.975 176.519 0.362 0.000 1.151 1178 W CA -0.578 56.956 57.345 0.315 0.000 1.765 1178 W CB 0.293 29.900 29.460 0.245 0.000 1.085 1178 W HN -0.028 nan 8.180 nan 0.000 0.596 1179 M N 1.076 120.908 119.600 0.387 0.000 2.277 1179 M HA 0.101 4.581 4.480 0.000 0.000 0.350 1179 M C 1.041 177.144 176.300 -0.328 0.000 1.180 1179 M CA 0.097 55.468 55.300 0.118 0.000 1.103 1179 M CB 1.463 34.104 32.600 0.069 0.000 1.577 1179 M HN -0.263 nan 8.290 nan 0.000 0.459 1180 S N 2.568 117.858 115.700 -0.684 0.000 2.593 1180 S HA 0.294 4.764 4.470 0.000 0.000 0.269 1180 S C -2.128 171.876 174.600 -0.993 0.000 1.334 1180 S CA -1.149 56.179 58.200 -1.454 0.000 1.015 1180 S CB 0.466 63.131 63.200 -0.892 0.000 0.912 1180 S HN 0.448 nan 8.310 nan 0.000 0.541 1181 P HA -0.170 nan 4.420 nan 0.000 0.216 1181 P C 1.541 178.539 177.300 -0.503 0.000 1.153 1181 P CA 1.449 64.129 63.100 -0.699 0.000 0.858 1181 P CB -0.091 31.092 31.700 -0.863 0.000 0.789 1182 E N -0.607 119.282 120.200 -0.519 0.000 2.358 1182 E HA -0.031 4.319 4.350 0.000 0.000 0.195 1182 E C 1.474 177.860 176.600 -0.358 0.000 1.010 1182 E CA 1.022 57.212 56.400 -0.349 0.000 0.856 1182 E CB -0.873 28.662 29.700 -0.275 0.000 0.795 1182 E HN 0.144 nan 8.360 nan 0.000 0.504 1183 S N 1.033 116.450 115.700 -0.471 0.000 2.395 1183 S HA 0.114 4.584 4.470 0.000 0.000 0.225 1183 S C 2.057 176.431 174.600 -0.378 0.000 1.027 1183 S CA 0.451 58.289 58.200 -0.603 0.000 0.965 1183 S CB -0.131 62.594 63.200 -0.792 0.000 0.812 1183 S HN 0.207 nan 8.310 nan 0.000 0.482 1184 L N 1.001 122.046 121.223 -0.296 0.000 2.291 1184 L HA 0.034 4.374 4.340 0.000 0.000 0.214 1184 L C 2.382 179.168 176.870 -0.140 0.000 1.120 1184 L CA 0.982 55.714 54.840 -0.180 0.000 0.799 1184 L CB -0.237 41.715 42.059 -0.177 0.000 0.925 1184 L HN 0.219 nan 8.230 nan 0.000 0.446 1185 K N -0.653 119.649 120.400 -0.163 0.000 2.166 1185 K HA -0.045 4.275 4.320 0.000 0.000 0.201 1185 K C 0.708 177.257 176.600 -0.084 0.000 1.052 1185 K CA 0.982 57.205 56.287 -0.107 0.000 0.969 1185 K CB 0.485 32.926 32.500 -0.098 0.000 0.761 1185 K HN 0.128 nan 8.250 nan 0.000 0.459 1186 D N -1.583 118.753 120.400 -0.108 0.000 2.538 1186 D HA 0.128 4.768 4.640 0.000 0.000 0.241 1186 D C -0.088 176.173 176.300 -0.065 0.000 1.297 1186 D CA 0.524 54.481 54.000 -0.070 0.000 0.804 1186 D CB 1.401 42.165 40.800 -0.060 0.000 1.122 1186 D HN 0.350 nan 8.370 nan 0.000 0.519 1187 G N 1.493 110.225 108.800 -0.114 0.000 2.221 1187 G HA2 -0.267 3.693 3.960 0.000 0.000 0.265 1187 G HA3 -0.267 3.693 3.960 0.000 0.000 0.265 1187 G C 0.301 175.155 174.900 -0.076 0.000 1.041 1187 G CA 0.459 45.525 45.100 -0.056 0.000 0.807 1187 G HN 0.240 nan 8.290 nan 0.000 0.502 1188 V N -0.260 119.488 119.914 -0.276 0.000 2.394 1188 V HA 0.759 4.879 4.120 0.000 0.000 0.282 1188 V C -0.010 175.855 176.094 -0.381 0.000 1.031 1188 V CA -0.819 61.381 62.300 -0.166 0.000 0.881 1188 V CB 1.073 32.831 31.823 -0.109 0.000 0.982 1188 V HN 0.213 nan 8.190 nan 0.000 0.451 1189 F N 2.831 122.783 119.950 0.003 0.000 2.467 1189 F HA 0.752 5.279 4.527 0.000 0.000 0.336 1189 F C 0.642 176.441 175.800 -0.002 0.000 1.123 1189 F CA -0.377 57.635 58.000 0.019 0.000 0.964 1189 F CB 2.249 41.279 39.000 0.050 0.000 1.136 1189 F HN 0.671 nan 8.300 nan 0.000 0.447 1190 T N -3.270 111.354 114.554 0.118 0.000 2.669 1190 T HA 0.318 4.668 4.350 0.000 0.000 0.283 1190 T C 0.882 175.584 174.700 0.004 0.000 1.019 1190 T CA -0.120 61.957 62.100 -0.037 0.000 1.039 1190 T CB 1.175 69.899 68.868 -0.240 0.000 1.374 1190 T HN 0.473 nan 8.240 nan 0.000 0.523 1191 T N -1.113 113.349 114.554 -0.152 0.000 2.904 1191 T HA -0.060 4.290 4.350 0.000 0.000 0.267 1191 T C 1.545 176.328 174.700 0.138 0.000 1.059 1191 T CA 0.951 63.069 62.100 0.031 0.000 1.137 1191 T CB -0.757 68.112 68.868 0.001 0.000 0.879 1191 T HN 0.569 nan 8.240 nan 0.000 0.467 1192 Y N 3.023 123.370 120.300 0.078 0.000 2.224 1192 Y HA -0.066 4.484 4.550 0.000 0.000 0.289 1192 Y C 3.140 179.110 175.900 0.118 0.000 1.146 1192 Y CA 0.283 58.415 58.100 0.053 0.000 1.182 1192 Y CB -1.357 37.119 38.460 0.027 0.000 0.983 1192 Y HN 0.456 nan 8.280 nan 0.000 0.524 1193 S N -0.645 115.203 115.700 0.246 0.000 2.406 1193 S HA -0.130 4.340 4.470 0.000 0.000 0.228 1193 S C 1.585 176.407 174.600 0.369 0.000 1.020 1193 S CA 1.152 59.489 58.200 0.229 0.000 0.965 1193 S CB -0.406 62.840 63.200 0.077 0.000 0.798 1193 S HN 0.271 nan 8.310 nan 0.000 0.488 1194 D N 1.501 122.121 120.400 0.367 0.000 2.144 1194 D HA -0.020 4.620 4.640 0.000 0.000 0.199 1194 D C 1.973 178.588 176.300 0.525 0.000 0.984 1194 D CA 0.762 55.039 54.000 0.463 0.000 0.834 1194 D CB -0.416 40.681 40.800 0.494 0.000 0.955 1194 D HN 0.315 nan 8.370 nan 0.000 0.465 1195 V N 0.566 120.666 119.914 0.311 0.000 2.379 1195 V HA -0.168 3.952 4.120 0.000 0.000 0.245 1195 V C 2.113 178.415 176.094 0.347 0.000 1.044 1195 V CA 1.102 63.455 62.300 0.088 0.000 1.036 1195 V CB -0.423 31.264 31.823 -0.227 0.000 0.664 1195 V HN 0.414 nan 8.190 nan 0.000 0.453 1196 W N 1.162 122.601 121.300 0.232 0.000 2.302 1196 W HA -0.283 4.377 4.660 0.000 0.000 0.320 1196 W C 2.497 179.270 176.519 0.423 0.000 1.241 1196 W CA 2.478 60.023 57.345 0.333 0.000 1.264 1196 W CB -0.775 28.836 29.460 0.251 0.000 1.154 1196 W HN 0.315 nan 8.180 nan 0.000 0.483 1197 S N 0.764 116.892 115.700 0.714 0.000 2.359 1197 S HA -0.269 4.201 4.470 0.000 0.000 0.224 1197 S C 1.566 176.465 174.600 0.498 0.000 1.035 1197 S CA 1.780 60.359 58.200 0.632 0.000 1.018 1197 S CB -1.189 62.358 63.200 0.579 0.000 0.876 1197 S HN 0.366 nan 8.310 nan 0.000 0.448 1198 F N 2.480 122.641 119.950 0.351 0.000 2.154 1198 F HA -0.118 4.409 4.527 0.000 0.000 0.301 1198 F C 2.162 178.059 175.800 0.161 0.000 1.087 1198 F CA 1.354 59.526 58.000 0.287 0.000 1.274 1198 F CB -0.854 38.394 39.000 0.413 0.000 1.009 1198 F HN 0.215 nan 8.300 nan 0.000 0.485 1199 G N -0.365 108.472 108.800 0.063 0.000 2.408 1199 G HA2 -0.163 3.797 3.960 0.000 0.000 0.217 1199 G HA3 -0.163 3.797 3.960 0.000 0.000 0.217 1199 G C 1.691 176.623 174.900 0.053 0.000 1.150 1199 G CA 0.984 45.918 45.100 -0.277 0.000 0.776 1199 G HN 0.343 nan 8.290 nan 0.000 0.542 1200 V N 0.934 121.025 119.914 0.295 0.000 2.427 1200 V HA -0.158 3.962 4.120 0.000 0.000 0.248 1200 V C 3.023 179.267 176.094 0.250 0.000 1.051 1200 V CA 1.626 64.069 62.300 0.238 0.000 1.048 1200 V CB -0.150 31.640 31.823 -0.055 0.000 0.666 1200 V HN 0.358 nan 8.190 nan 0.000 0.456 1201 V N -0.840 119.199 119.914 0.208 0.000 2.548 1201 V HA -0.149 3.971 4.120 0.000 0.000 0.249 1201 V C 2.127 178.226 176.094 0.009 0.000 1.055 1201 V CA 1.650 64.055 62.300 0.174 0.000 1.065 1201 V CB -0.365 31.552 31.823 0.158 0.000 0.681 1201 V HN 0.460 nan 8.190 nan 0.000 0.462 1202 L N -1.328 119.785 121.223 -0.184 0.000 2.042 1202 L HA -0.172 4.168 4.340 0.000 0.000 0.210 1202 L C 2.417 179.289 176.870 0.003 0.000 1.076 1202 L CA 2.641 57.359 54.840 -0.203 0.000 0.749 1202 L CB -0.649 41.203 42.059 -0.345 0.000 0.893 1202 L HN 0.621 nan 8.230 nan 0.000 0.432 1203 W N 1.342 122.612 121.300 -0.050 0.000 2.335 1203 W HA -0.218 4.442 4.660 0.000 0.000 0.311 1203 W C 2.470 178.993 176.519 0.007 0.000 1.213 1203 W CA 1.791 59.161 57.345 0.042 0.000 1.274 1203 W CB -0.077 29.472 29.460 0.147 0.000 1.148 1203 W HN 0.103 nan 8.180 nan 0.000 0.498 1204 E N -0.028 120.331 120.200 0.267 0.000 2.070 1204 E HA -0.287 4.063 4.350 0.000 0.000 0.197 1204 E C 2.095 178.668 176.600 -0.045 0.000 1.004 1204 E CA 2.044 58.522 56.400 0.130 0.000 0.805 1204 E CB -0.577 29.288 29.700 0.275 0.000 0.744 1204 E HN 0.377 nan 8.360 nan 0.000 0.451 1205 I N 0.868 121.423 120.570 -0.026 0.000 2.226 1205 I HA -0.231 3.939 4.170 0.000 0.000 0.245 1205 I C 2.534 178.581 176.117 -0.117 0.000 1.100 1205 I CA 0.987 62.261 61.300 -0.043 0.000 1.374 1205 I CB -0.506 37.477 38.000 -0.029 0.000 1.057 1205 I HN 0.063 nan 8.210 nan 0.000 0.413 1206 A N 0.382 123.092 122.820 -0.183 0.000 2.067 1206 A HA -0.149 4.171 4.320 0.000 0.000 0.219 1206 A C 2.117 179.504 177.584 -0.328 0.000 1.158 1206 A CA 1.907 53.806 52.037 -0.230 0.000 0.661 1206 A CB -0.697 18.168 19.000 -0.225 0.000 0.801 1206 A HN 0.513 nan 8.150 nan 0.000 0.452 1207 T N -2.979 111.301 114.554 -0.457 0.000 3.215 1207 T HA 0.408 4.758 4.350 0.000 0.000 0.271 1207 T C 0.398 174.929 174.700 -0.281 0.000 1.012 1207 T CA -0.080 61.733 62.100 -0.479 0.000 0.899 1207 T CB -0.750 67.594 68.868 -0.874 0.000 1.089 1207 T HN 0.494 nan 8.240 nan 0.000 0.552 1208 L N 0.631 121.740 121.223 -0.189 0.000 3.739 1208 L HA -0.297 4.043 4.340 0.000 0.000 0.442 1208 L C 0.929 177.755 176.870 -0.074 0.000 1.241 1208 L CA 0.424 55.196 54.840 -0.114 0.000 0.819 1208 L CB -2.432 39.558 42.059 -0.114 0.000 1.679 1208 L HN 0.895 nan 8.230 nan 0.000 0.889 1209 A N -1.031 121.759 122.820 -0.050 0.000 3.002 1209 A HA -0.187 4.133 4.320 0.000 0.000 0.272 1209 A C 0.779 178.397 177.584 0.057 0.000 1.421 1209 A CA 1.516 53.580 52.037 0.045 0.000 0.766 1209 A CB -1.292 17.749 19.000 0.068 0.000 1.034 1209 A HN 0.694 nan 8.150 nan 0.000 0.541 1210 E N -0.527 119.673 120.200 -0.001 0.000 2.421 1210 E HA 0.283 4.633 4.350 0.000 0.000 0.253 1210 E C 0.541 177.287 176.600 0.243 0.000 1.277 1210 E CA -0.041 56.405 56.400 0.077 0.000 0.968 1210 E CB 0.305 30.009 29.700 0.008 0.000 1.040 1210 E HN 0.687 nan 8.360 nan 0.000 0.512 1211 Q N 1.252 121.189 119.800 0.228 0.000 2.279 1211 Q HA 0.217 4.557 4.340 0.000 0.000 0.256 1211 Q C -2.436 173.635 176.000 0.117 0.000 0.937 1211 Q CA -1.929 53.992 55.803 0.196 0.000 0.933 1211 Q CB 1.002 29.824 28.738 0.141 0.000 1.189 1211 Q HN 0.011 nan 8.270 nan 0.000 0.417 1212 P HA -0.045 nan 4.420 nan 0.000 0.267 1212 P C -1.394 175.631 177.300 -0.459 0.000 1.205 1212 P CA 0.439 63.077 63.100 -0.770 0.000 0.765 1212 P CB 0.075 31.194 31.700 -0.968 0.000 0.828 1213 Y N -0.442 119.621 120.300 -0.396 0.000 3.389 1213 Y HA -0.252 4.298 4.550 0.000 0.000 0.213 1213 Y C 0.864 176.680 175.900 -0.139 0.000 1.272 1213 Y CA 0.244 58.196 58.100 -0.247 0.000 1.444 1213 Y CB -2.817 35.512 38.460 -0.219 0.000 1.445 1213 Y HN 0.418 nan 8.280 nan 0.000 0.583 1214 Q N 0.984 120.787 119.800 0.005 0.000 2.315 1214 Q HA 0.356 4.696 4.340 0.000 0.000 0.289 1214 Q C 1.452 177.456 176.000 0.007 0.000 1.044 1214 Q CA 1.740 57.563 55.803 0.033 0.000 0.920 1214 Q CB 0.518 29.290 28.738 0.057 0.000 1.214 1214 Q HN 0.821 nan 8.270 nan 0.000 0.392 1215 G N 2.749 111.551 108.800 0.003 0.000 2.234 1215 G HA2 -0.235 3.725 3.960 0.000 0.000 0.235 1215 G HA3 -0.235 3.725 3.960 0.000 0.000 0.235 1215 G C -0.196 174.678 174.900 -0.043 0.000 0.997 1215 G CA 0.020 45.107 45.100 -0.021 0.000 0.623 1215 G HN 0.531 nan 8.290 nan 0.000 0.514 1216 L N 2.007 123.203 121.223 -0.044 0.000 2.325 1216 L HA 0.635 4.975 4.340 0.000 0.000 0.279 1216 L C 1.186 178.038 176.870 -0.030 0.000 1.054 1216 L CA -0.218 54.581 54.840 -0.069 0.000 0.804 1216 L CB 1.759 43.745 42.059 -0.122 0.000 1.200 1216 L HN 0.429 nan 8.230 nan 0.000 0.436 1217 S N 0.874 116.554 115.700 -0.033 0.000 2.632 1217 S HA 0.196 4.666 4.470 0.000 0.000 0.271 1217 S C 0.814 175.404 174.600 -0.017 0.000 1.260 1217 S CA -0.763 57.430 58.200 -0.012 0.000 1.010 1217 S CB 1.165 64.359 63.200 -0.010 0.000 0.965 1217 S HN 0.601 nan 8.310 nan 0.000 0.534 1218 N N 1.506 120.209 118.700 0.004 0.000 2.132 1218 N HA -0.197 4.543 4.740 0.000 0.000 0.191 1218 N C 1.528 177.029 175.510 -0.015 0.000 1.015 1218 N CA 1.900 54.953 53.050 0.004 0.000 0.864 1218 N CB -0.638 37.866 38.487 0.029 0.000 1.006 1218 N HN 0.917 nan 8.380 nan 0.000 0.430 1219 E N 0.715 120.908 120.200 -0.012 0.000 2.051 1219 E HA -0.170 4.180 4.350 0.000 0.000 0.192 1219 E C 1.737 178.322 176.600 -0.025 0.000 0.991 1219 E CA 1.085 57.476 56.400 -0.015 0.000 0.799 1219 E CB 0.053 29.748 29.700 -0.009 0.000 0.748 1219 E HN 0.449 nan 8.360 nan 0.000 0.449 1220 Q N -0.257 119.523 119.800 -0.034 0.000 2.123 1220 Q HA -0.104 4.236 4.340 0.000 0.000 0.199 1220 Q C 2.349 178.319 176.000 -0.049 0.000 0.966 1220 Q CA 1.317 57.096 55.803 -0.040 0.000 0.845 1220 Q CB 0.160 28.859 28.738 -0.065 0.000 0.907 1220 Q HN 0.215 nan 8.270 nan 0.000 0.439 1221 V N 1.430 121.284 119.914 -0.101 0.000 2.343 1221 V HA -0.262 3.858 4.120 0.000 0.000 0.247 1221 V C 2.231 178.229 176.094 -0.160 0.000 1.051 1221 V CA 1.287 63.461 62.300 -0.210 0.000 1.036 1221 V CB -0.538 31.119 31.823 -0.277 0.000 0.654 1221 V HN 0.426 nan 8.190 nan 0.000 0.451 1222 L N -0.136 121.028 121.223 -0.098 0.000 1.971 1222 L HA -0.224 4.116 4.340 0.000 0.000 0.215 1222 L C 2.774 179.609 176.870 -0.058 0.000 1.072 1222 L CA 2.221 57.014 54.840 -0.078 0.000 0.758 1222 L CB -0.722 41.309 42.059 -0.046 0.000 0.889 1222 L HN 0.317 nan 8.230 nan 0.000 0.433 1223 R N -1.546 118.943 120.500 -0.019 0.000 2.066 1223 R HA -0.214 4.126 4.340 0.000 0.000 0.232 1223 R C 2.162 178.482 176.300 0.034 0.000 1.131 1223 R CA 1.528 57.631 56.100 0.006 0.000 0.955 1223 R CB -0.528 29.785 30.300 0.023 0.000 0.851 1223 R HN 0.211 nan 8.270 nan 0.000 0.432 1224 F N 1.240 121.121 119.950 -0.114 0.000 2.043 1224 F HA -0.267 4.260 4.527 0.000 0.000 0.297 1224 F C 2.133 177.874 175.800 -0.098 0.000 1.121 1224 F CA 1.539 59.474 58.000 -0.109 0.000 1.199 1224 F CB -0.564 38.343 39.000 -0.156 0.000 0.968 1224 F HN -0.264 nan 8.300 nan 0.000 0.478 1225 V N 0.168 119.976 119.914 -0.176 0.000 2.515 1225 V HA -0.323 3.797 4.120 0.000 0.000 0.250 1225 V C 2.441 178.445 176.094 -0.149 0.000 1.058 1225 V CA 2.092 64.255 62.300 -0.228 0.000 1.064 1225 V CB -0.547 31.147 31.823 -0.215 0.000 0.675 1225 V HN 0.395 nan 8.190 nan 0.000 0.461 1226 M N -0.772 118.762 119.600 -0.110 0.000 2.254 1226 M HA -0.106 4.374 4.480 0.000 0.000 0.265 1226 M C 1.817 178.159 176.300 0.070 0.000 1.066 1226 M CA 1.504 56.786 55.300 -0.029 0.000 1.123 1226 M CB -0.163 32.407 32.600 -0.050 0.000 1.388 1226 M HN 0.339 nan 8.290 nan 0.000 0.425 1227 E N -0.688 119.492 120.200 -0.034 0.000 2.489 1227 E HA 0.124 4.474 4.350 0.000 0.000 0.193 1227 E C 1.010 177.527 176.600 -0.139 0.000 1.057 1227 E CA 0.494 56.846 56.400 -0.081 0.000 0.866 1227 E CB 0.343 29.998 29.700 -0.075 0.000 0.916 1227 E HN 0.660 nan 8.360 nan 0.000 0.500 1228 G N 1.267 110.024 108.800 -0.072 0.000 2.192 1228 G HA2 -0.198 3.762 3.960 0.000 0.000 0.193 1228 G HA3 -0.198 3.762 3.960 0.000 0.000 0.193 1228 G C 0.574 175.365 174.900 -0.180 0.000 0.999 1228 G CA -0.433 44.650 45.100 -0.028 0.000 0.659 1228 G HN 0.448 nan 8.290 nan 0.000 0.503 1229 G N -0.258 108.205 108.800 -0.562 0.000 2.554 1229 G HA2 0.540 4.500 3.960 0.000 0.000 0.238 1229 G HA3 0.540 4.500 3.960 0.000 0.000 0.238 1229 G C 0.083 174.654 174.900 -0.548 0.000 1.259 1229 G CA 0.222 44.635 45.100 -1.145 0.000 0.843 1229 G HN 0.813 nan 8.290 nan 0.000 0.582 1230 L N -0.099 120.985 121.223 -0.231 0.000 2.327 1230 L HA 0.440 4.780 4.340 0.000 0.000 0.258 1230 L C -0.141 176.750 176.870 0.035 0.000 1.024 1230 L CA -1.071 53.709 54.840 -0.099 0.000 0.825 1230 L CB 1.986 44.040 42.059 -0.007 0.000 1.386 1230 L HN 0.300 nan 8.230 nan 0.000 0.417 1231 L N 1.424 122.413 121.223 -0.390 0.000 2.367 1231 L HA 0.169 4.509 4.340 0.000 0.000 0.275 1231 L C -0.226 176.705 176.870 0.102 0.000 1.129 1231 L CA -0.333 54.247 54.840 -0.433 0.000 0.839 1231 L CB 0.237 41.552 42.059 -1.239 0.000 1.133 1231 L HN 0.459 nan 8.230 nan 0.000 0.453 1232 D N 2.738 123.230 120.400 0.153 0.000 2.357 1232 D HA 0.037 4.677 4.640 0.000 0.000 0.242 1232 D C 0.110 176.514 176.300 0.174 0.000 1.153 1232 D CA -0.320 53.796 54.000 0.194 0.000 0.918 1232 D CB 0.906 41.769 40.800 0.104 0.000 1.181 1232 D HN 0.334 nan 8.370 nan 0.000 0.435 1233 K N 1.683 121.901 120.400 -0.303 0.000 2.472 1233 K HA 0.081 4.401 4.320 0.000 0.000 0.280 1233 K C -2.345 174.090 176.600 -0.274 0.000 1.028 1233 K CA -0.940 54.835 56.287 -0.854 0.000 1.045 1233 K CB 0.204 31.940 32.500 -1.273 0.000 0.902 1233 K HN 0.040 nan 8.250 nan 0.000 0.478 1234 P HA 0.005 nan 4.420 nan 0.000 0.268 1234 P C -1.152 176.038 177.300 -0.184 0.000 1.204 1234 P CA -0.117 62.866 63.100 -0.194 0.000 0.768 1234 P CB 0.470 31.963 31.700 -0.346 0.000 0.842 1235 D N 2.892 123.207 120.400 -0.143 0.000 2.493 1235 D HA -0.045 4.595 4.640 0.000 0.000 0.240 1235 D C 0.791 177.020 176.300 -0.119 0.000 1.142 1235 D CA 0.807 54.737 54.000 -0.117 0.000 0.872 1235 D CB -0.327 40.419 40.800 -0.089 0.000 1.173 1235 D HN 0.466 nan 8.370 nan 0.000 0.467 1236 N N -0.673 117.966 118.700 -0.102 0.000 2.948 1236 N HA -0.200 4.540 4.740 0.000 0.000 0.239 1236 N C -0.124 175.331 175.510 -0.092 0.000 0.954 1236 N CA 0.242 53.239 53.050 -0.088 0.000 0.941 1236 N CB -1.108 37.329 38.487 -0.083 0.000 1.101 1236 N HN 0.438 nan 8.380 nan 0.000 0.579 1237 C N 1.990 121.224 119.300 -0.110 0.000 2.632 1237 C HA 0.262 4.722 4.460 0.000 0.000 0.415 1237 C C -1.676 173.282 174.990 -0.053 0.000 1.332 1237 C CA -1.282 57.681 59.018 -0.092 0.000 1.874 1237 C CB -0.237 27.439 27.740 -0.107 0.000 2.596 1237 C HN 0.164 nan 8.230 nan 0.000 0.590 1238 P HA 0.078 nan 4.420 nan 0.000 0.264 1238 P C 0.193 177.506 177.300 0.021 0.000 1.183 1238 P CA 0.488 63.580 63.100 -0.013 0.000 0.763 1238 P CB 0.508 32.197 31.700 -0.017 0.000 0.807 1239 D N 1.617 122.031 120.400 0.024 0.000 2.144 1239 D HA -0.161 4.479 4.640 0.000 0.000 0.199 1239 D C 1.681 178.026 176.300 0.075 0.000 0.984 1239 D CA 1.207 55.242 54.000 0.059 0.000 0.834 1239 D CB -0.421 40.401 40.800 0.037 0.000 0.955 1239 D HN 0.419 nan 8.370 nan 0.000 0.465 1240 M N 0.047 119.666 119.600 0.032 0.000 2.066 1240 M HA -0.168 4.312 4.480 0.000 0.000 0.259 1240 M C 1.970 178.270 176.300 -0.000 0.000 1.074 1240 M CA 1.272 56.577 55.300 0.008 0.000 1.114 1240 M CB -0.392 32.203 32.600 -0.008 0.000 1.306 1240 M HN 0.070 nan 8.290 nan 0.000 0.411 1241 L N 0.657 121.881 121.223 0.002 0.000 2.103 1241 L HA -0.238 4.102 4.340 0.000 0.000 0.215 1241 L C 2.193 179.060 176.870 -0.005 0.000 1.080 1241 L CA 2.009 56.839 54.840 -0.016 0.000 0.764 1241 L CB -1.040 41.012 42.059 -0.012 0.000 0.890 1241 L HN 0.532 nan 8.230 nan 0.000 0.435 1242 F N -0.755 119.142 119.950 -0.087 0.000 2.512 1242 F HA -0.021 4.506 4.527 0.000 0.000 0.296 1242 F C 2.266 177.997 175.800 -0.115 0.000 1.110 1242 F CA 0.826 58.775 58.000 -0.085 0.000 1.446 1242 F CB 0.063 39.054 39.000 -0.015 0.000 1.092 1242 F HN 0.083 nan 8.300 nan 0.000 0.554 1243 E N 0.548 120.672 120.200 -0.126 0.000 2.112 1243 E HA -0.096 4.254 4.350 0.000 0.000 0.190 1243 E C 2.325 178.761 176.600 -0.274 0.000 0.979 1243 E CA 0.797 57.081 56.400 -0.194 0.000 0.814 1243 E CB -0.421 29.244 29.700 -0.059 0.000 0.762 1243 E HN 0.445 nan 8.360 nan 0.000 0.460 1244 L N -0.184 120.901 121.223 -0.230 0.000 1.970 1244 L HA -0.274 4.066 4.340 0.000 0.000 0.212 1244 L C 2.320 178.931 176.870 -0.432 0.000 1.071 1244 L CA 1.665 56.363 54.840 -0.237 0.000 0.751 1244 L CB -0.319 41.654 42.059 -0.143 0.000 0.889 1244 L HN 0.311 nan 8.230 nan 0.000 0.432 1245 M N -1.043 118.172 119.600 -0.643 0.000 2.088 1245 M HA -0.320 4.160 4.480 0.000 0.000 0.256 1245 M C 2.269 177.783 176.300 -1.310 0.000 1.071 1245 M CA 1.901 56.456 55.300 -1.241 0.000 1.097 1245 M CB -0.682 30.999 32.600 -1.532 0.000 1.315 1245 M HN 0.162 nan 8.290 nan 0.000 0.406 1246 R N -0.079 119.856 120.500 -0.941 0.000 2.170 1246 R HA -0.158 4.182 4.340 0.000 0.000 0.242 1246 R C 2.057 178.167 176.300 -0.316 0.000 1.145 1246 R CA 1.577 57.364 56.100 -0.521 0.000 0.984 1246 R CB -0.404 29.641 30.300 -0.425 0.000 0.869 1246 R HN 0.499 nan 8.270 nan 0.000 0.455 1247 M N -1.033 118.363 119.600 -0.340 0.000 2.193 1247 M HA -0.111 4.369 4.480 0.000 0.000 0.265 1247 M C 2.330 178.512 176.300 -0.197 0.000 1.071 1247 M CA 1.058 56.236 55.300 -0.203 0.000 1.140 1247 M CB -0.027 32.471 32.600 -0.170 0.000 1.369 1247 M HN 0.172 nan 8.290 nan 0.000 0.423 1248 C N -0.477 118.614 119.300 -0.348 0.000 2.437 1248 C HA -0.119 4.341 4.460 0.000 0.000 0.283 1248 C C 1.534 176.436 174.990 -0.148 0.000 1.424 1248 C CA 0.342 59.190 59.018 -0.283 0.000 1.782 1248 C CB -1.091 26.413 27.740 -0.392 0.000 1.833 1248 C HN 0.658 nan 8.230 nan 0.000 0.532 1249 W N 0.055 121.226 121.300 -0.215 0.000 3.102 1249 W HA 0.305 4.965 4.660 0.000 0.000 0.401 1249 W C 0.585 177.158 176.519 0.089 0.000 1.070 1249 W CA -0.689 56.496 57.345 -0.267 0.000 1.921 1249 W CB -1.084 28.008 29.460 -0.614 0.000 1.118 1249 W HN 0.271 nan 8.180 nan 0.000 0.647 1250 Q N 0.580 120.519 119.800 0.232 0.000 2.283 1250 Q HA -0.164 4.176 4.340 0.000 0.000 0.301 1250 Q C 1.071 177.239 176.000 0.281 0.000 1.063 1250 Q CA 0.479 56.401 55.803 0.200 0.000 0.952 1250 Q CB 0.438 29.227 28.738 0.086 0.000 1.166 1250 Q HN 0.386 nan 8.270 nan 0.000 0.381 1251 Y N 3.519 123.917 120.300 0.164 0.000 2.128 1251 Y HA -0.218 4.332 4.550 0.000 0.000 0.284 1251 Y C 1.085 177.020 175.900 0.057 0.000 1.154 1251 Y CA 1.605 59.778 58.100 0.121 0.000 1.149 1251 Y CB 0.316 38.809 38.460 0.054 0.000 0.976 1251 Y HN 0.618 nan 8.280 nan 0.000 0.505 1252 N N 1.011 119.837 118.700 0.210 0.000 2.442 1252 N HA 0.018 4.758 4.740 0.000 0.000 0.265 1252 N C -2.189 173.315 175.510 -0.009 0.000 1.138 1252 N CA -1.371 51.731 53.050 0.085 0.000 0.956 1252 N CB 1.367 39.904 38.487 0.083 0.000 1.067 1252 N HN 0.071 nan 8.380 nan 0.000 0.474 1253 P HA -0.114 nan 4.420 nan 0.000 0.218 1253 P C 0.670 177.756 177.300 -0.356 0.000 1.148 1253 P CA 1.547 64.618 63.100 -0.050 0.000 0.822 1253 P CB 0.316 32.083 31.700 0.112 0.000 0.784 1254 K N -1.237 118.955 120.400 -0.348 0.000 2.211 1254 K HA 0.026 4.347 4.320 0.000 0.000 0.203 1254 K C 1.659 178.062 176.600 -0.329 0.000 1.050 1254 K CA 0.945 56.937 56.287 -0.492 0.000 0.945 1254 K CB -0.311 32.055 32.500 -0.224 0.000 0.732 1254 K HN 0.107 nan 8.250 nan 0.000 0.451 1255 M N 1.056 120.548 119.600 -0.180 0.000 2.659 1255 M HA 0.024 4.504 4.480 0.000 0.000 0.243 1255 M C 0.181 176.420 176.300 -0.101 0.000 1.111 1255 M CA 0.774 56.011 55.300 -0.104 0.000 1.070 1255 M CB -0.475 32.104 32.600 -0.034 0.000 1.525 1255 M HN -0.000 nan 8.290 nan 0.000 0.517 1256 R N 1.107 121.521 120.500 -0.143 0.000 2.532 1256 R HA 0.388 4.728 4.340 0.000 0.000 0.272 1256 R C -2.094 174.127 176.300 -0.131 0.000 1.032 1256 R CA -1.559 54.479 56.100 -0.103 0.000 1.089 1256 R CB 0.021 30.295 30.300 -0.043 0.000 1.098 1256 R HN 0.022 nan 8.270 nan 0.000 0.526 1257 P HA -0.010 nan 4.420 nan 0.000 0.272 1257 P C -0.480 176.721 177.300 -0.166 0.000 1.223 1257 P CA -0.290 62.735 63.100 -0.125 0.000 0.784 1257 P CB 0.994 32.620 31.700 -0.125 0.000 0.923 1258 S N 0.765 116.399 115.700 -0.110 0.000 2.614 1258 S HA 0.198 4.668 4.470 0.000 0.000 0.265 1258 S C 1.003 175.496 174.600 -0.179 0.000 1.303 1258 S CA -0.322 57.816 58.200 -0.104 0.000 1.000 1258 S CB -0.034 63.190 63.200 0.040 0.000 0.935 1258 S HN 0.224 nan 8.310 nan 0.000 0.551 1259 F N 0.447 120.391 119.950 -0.010 0.000 2.234 1259 F HA 0.090 4.617 4.527 0.000 0.000 0.299 1259 F C 1.987 177.781 175.800 -0.009 0.000 1.087 1259 F CA 0.811 58.755 58.000 -0.093 0.000 1.340 1259 F CB -0.687 38.260 39.000 -0.088 0.000 1.031 1259 F HN 0.449 nan 8.300 nan 0.000 0.500 1260 L N -0.393 120.981 121.223 0.251 0.000 2.056 1260 L HA -0.186 4.154 4.340 0.000 0.000 0.207 1260 L C 2.313 179.283 176.870 0.166 0.000 1.078 1260 L CA 1.389 56.397 54.840 0.279 0.000 0.749 1260 L CB -0.616 41.617 42.059 0.291 0.000 0.901 1260 L HN 0.145 nan 8.230 nan 0.000 0.433 1261 E N 0.321 120.574 120.200 0.088 0.000 2.051 1261 E HA -0.222 4.128 4.350 0.000 0.000 0.192 1261 E C 2.284 178.875 176.600 -0.015 0.000 0.991 1261 E CA 1.272 57.693 56.400 0.034 0.000 0.799 1261 E CB -0.139 29.563 29.700 0.003 0.000 0.748 1261 E HN 0.473 nan 8.360 nan 0.000 0.449 1262 I N 1.157 121.703 120.570 -0.041 0.000 2.163 1262 I HA -0.300 3.870 4.170 0.000 0.000 0.243 1262 I C 2.452 178.524 176.117 -0.074 0.000 1.085 1262 I CA 1.189 62.456 61.300 -0.055 0.000 1.347 1262 I CB -0.335 37.614 38.000 -0.085 0.000 1.044 1262 I HN 0.115 nan 8.210 nan 0.000 0.408 1263 I N -0.051 120.457 120.570 -0.103 0.000 2.179 1263 I HA -0.290 3.880 4.170 0.000 0.000 0.242 1263 I C 2.711 178.612 176.117 -0.360 0.000 1.088 1263 I CA 1.232 62.380 61.300 -0.253 0.000 1.357 1263 I CB -0.393 37.387 38.000 -0.367 0.000 1.051 1263 I HN 0.131 nan 8.210 nan 0.000 0.409 1264 S N 0.409 115.937 115.700 -0.287 0.000 2.387 1264 S HA -0.202 4.268 4.470 0.000 0.000 0.230 1264 S C 2.099 176.650 174.600 -0.081 0.000 1.035 1264 S CA 1.871 59.982 58.200 -0.149 0.000 1.014 1264 S CB -0.324 62.906 63.200 0.050 0.000 0.836 1264 S HN 0.636 nan 8.310 nan 0.000 0.466 1265 S N 1.084 116.742 115.700 -0.070 0.000 2.555 1265 S HA 0.066 4.536 4.470 0.000 0.000 0.230 1265 S C 1.239 175.804 174.600 -0.058 0.000 0.978 1265 S CA 0.668 58.840 58.200 -0.046 0.000 0.934 1265 S CB -0.545 62.632 63.200 -0.038 0.000 0.766 1265 S HN 0.740 nan 8.310 nan 0.000 0.533 1266 I N -2.522 117.991 120.570 -0.096 0.000 4.390 1266 I HA 0.377 4.547 4.170 0.000 0.000 0.334 1266 I C 1.458 177.489 176.117 -0.143 0.000 1.379 1266 I CA -0.416 60.822 61.300 -0.103 0.000 1.197 1266 I CB 0.032 37.971 38.000 -0.102 0.000 1.396 1266 I HN 0.126 nan 8.210 nan 0.000 0.511 1267 K N 1.609 121.916 120.400 -0.155 0.000 2.152 1267 K HA -0.165 4.155 4.320 0.000 0.000 0.206 1267 K C 1.302 177.893 176.600 -0.015 0.000 1.048 1267 K CA 1.984 58.187 56.287 -0.140 0.000 0.933 1267 K CB -0.130 32.305 32.500 -0.107 0.000 0.721 1267 K HN 0.281 nan 8.250 nan 0.000 0.447 1268 E N 0.711 120.914 120.200 0.005 0.000 2.482 1268 E HA -0.052 4.298 4.350 0.000 0.000 0.196 1268 E C 0.633 177.235 176.600 0.003 0.000 1.047 1268 E CA 0.597 57.020 56.400 0.038 0.000 0.869 1268 E CB 0.326 30.048 29.700 0.038 0.000 0.836 1268 E HN 0.372 nan 8.360 nan 0.000 0.520 1269 E N -0.969 119.205 120.200 -0.043 0.000 2.501 1269 E HA 0.147 4.497 4.350 0.000 0.000 0.201 1269 E C -0.492 176.055 176.600 -0.089 0.000 1.016 1269 E CA -0.035 56.333 56.400 -0.055 0.000 0.920 1269 E CB 0.333 29.997 29.700 -0.061 0.000 1.023 1269 E HN 0.065 nan 8.360 nan 0.000 0.474 1270 M N 1.499 121.021 119.600 -0.130 0.000 2.216 1270 M HA 0.203 4.684 4.480 0.000 0.000 0.356 1270 M C 0.399 176.672 176.300 -0.044 0.000 1.205 1270 M CA -0.344 54.835 55.300 -0.201 0.000 1.122 1270 M CB 0.824 33.099 32.600 -0.542 0.000 1.571 1270 M HN -0.088 nan 8.290 nan 0.000 0.464 1271 E N 3.051 123.244 120.200 -0.012 0.000 2.458 1271 E HA -0.038 4.312 4.350 0.000 0.000 0.264 1271 E C -1.474 175.196 176.600 0.116 0.000 1.097 1271 E CA -0.964 55.468 56.400 0.053 0.000 0.973 1271 E CB -0.144 29.595 29.700 0.064 0.000 0.963 1271 E HN 0.401 nan 8.360 nan 0.000 0.451 1272 P HA -0.232 nan 4.420 nan 0.000 0.218 1272 P C 1.306 178.700 177.300 0.156 0.000 1.165 1272 P CA 2.183 65.350 63.100 0.112 0.000 0.922 1272 P CB -0.073 31.671 31.700 0.074 0.000 0.794 1273 G N -1.407 107.484 108.800 0.151 0.000 2.545 1273 G HA2 -0.347 3.613 3.960 0.000 0.000 0.222 1273 G HA3 -0.347 3.613 3.960 0.000 0.000 0.222 1273 G C 1.381 176.406 174.900 0.208 0.000 1.126 1273 G CA 0.781 45.967 45.100 0.144 0.000 0.754 1273 G HN 0.136 nan 8.290 nan 0.000 0.583 1274 F N 1.297 121.333 119.950 0.143 0.000 2.063 1274 F HA -0.271 4.256 4.527 0.000 0.000 0.296 1274 F C 2.774 178.747 175.800 0.289 0.000 1.093 1274 F CA 2.351 60.486 58.000 0.225 0.000 1.229 1274 F CB -0.410 38.730 39.000 0.233 0.000 0.971 1274 F HN 0.102 nan 8.300 nan 0.000 0.491 1275 R N -0.042 120.673 120.500 0.358 0.000 2.103 1275 R HA -0.245 4.095 4.340 0.000 0.000 0.242 1275 R C 2.422 178.754 176.300 0.053 0.000 1.142 1275 R CA 1.989 58.203 56.100 0.190 0.000 0.960 1275 R CB -0.520 29.703 30.300 -0.127 0.000 0.858 1275 R HN 0.522 nan 8.270 nan 0.000 0.439 1276 E N -0.060 120.142 120.200 0.003 0.000 2.072 1276 E HA -0.136 4.214 4.350 0.000 0.000 0.191 1276 E C 1.622 178.161 176.600 -0.101 0.000 0.985 1276 E CA 1.730 58.099 56.400 -0.052 0.000 0.801 1276 E CB 0.236 29.899 29.700 -0.061 0.000 0.750 1276 E HN 0.340 nan 8.360 nan 0.000 0.452 1277 V N -0.601 119.216 119.914 -0.162 0.000 3.644 1277 V HA 0.154 4.274 4.120 0.000 0.000 0.267 1277 V C 1.089 177.025 176.094 -0.263 0.000 1.277 1277 V CA 0.226 62.332 62.300 -0.323 0.000 1.096 1277 V CB -0.000 31.404 31.823 -0.698 0.000 0.828 1277 V HN 0.196 nan 8.190 nan 0.000 0.446 1278 S N -0.031 115.516 115.700 -0.255 0.000 2.614 1278 S HA 0.362 4.832 4.470 0.000 0.000 0.265 1278 S C 0.618 175.190 174.600 -0.047 0.000 1.303 1278 S CA 0.112 58.163 58.200 -0.249 0.000 1.000 1278 S CB 0.925 63.546 63.200 -0.966 0.000 0.935 1278 S HN 0.447 nan 8.310 nan 0.000 0.551 1279 F N 1.393 121.318 119.950 -0.040 0.000 2.293 1279 F HA 0.036 4.563 4.527 0.000 0.000 0.297 1279 F C 1.862 177.688 175.800 0.043 0.000 1.089 1279 F CA 0.805 58.816 58.000 0.019 0.000 1.377 1279 F CB -0.583 38.480 39.000 0.105 0.000 1.051 1279 F HN 0.815 nan 8.300 nan 0.000 0.511 1280 Y N 0.141 120.304 120.300 -0.229 0.000 2.128 1280 Y HA -0.270 4.280 4.550 0.000 0.000 0.284 1280 Y C 0.992 176.657 175.900 -0.392 0.000 1.154 1280 Y CA 2.008 59.889 58.100 -0.365 0.000 1.149 1280 Y CB -0.722 37.574 38.460 -0.273 0.000 0.976 1280 Y HN 0.125 nan 8.280 nan 0.000 0.505 1281 Y N 0.999 121.205 120.300 -0.157 0.000 2.881 1281 Y HA 0.187 4.737 4.550 0.000 0.000 0.369 1281 Y C 0.462 176.242 175.900 -0.201 0.000 1.066 1281 Y CA -0.579 57.415 58.100 -0.177 0.000 1.616 1281 Y CB -0.203 38.230 38.460 -0.045 0.000 1.436 1281 Y HN 0.007 nan 8.280 nan 0.000 0.505 1282 S N -2.071 113.528 115.700 -0.167 0.000 2.648 1282 S HA 0.292 4.762 4.470 0.000 0.000 0.305 1282 S C 0.798 175.313 174.600 -0.141 0.000 1.094 1282 S CA -0.910 57.214 58.200 -0.127 0.000 0.983 1282 S CB 1.834 64.976 63.200 -0.097 0.000 1.101 1282 S HN 0.186 nan 8.310 nan 0.000 0.514 1283 E N 1.455 121.616 120.200 -0.064 0.000 2.072 1283 E HA -0.136 4.214 4.350 0.000 0.000 0.191 1283 E C 1.640 178.218 176.600 -0.036 0.000 0.985 1283 E CA 1.327 57.700 56.400 -0.046 0.000 0.801 1283 E CB -0.561 29.131 29.700 -0.014 0.000 0.750 1283 E HN 0.840 nan 8.360 nan 0.000 0.452 1284 E N 0.874 121.084 120.200 0.017 0.000 2.253 1284 E HA -0.195 4.155 4.350 0.000 0.000 0.202 1284 E C 0.661 177.276 176.600 0.025 0.000 1.014 1284 E CA 0.739 57.203 56.400 0.106 0.000 0.823 1284 E CB -0.186 29.703 29.700 0.316 0.000 0.736 1284 E HN -0.002 nan 8.360 nan 0.000 0.478 1285 N N 0.998 119.561 118.700 -0.228 0.000 2.485 1285 N HA 0.139 4.879 4.740 0.000 0.000 0.243 1285 N C -1.198 174.179 175.510 -0.223 0.000 0.987 1285 N CA 0.084 52.906 53.050 -0.379 0.000 0.940 1285 N CB 0.400 38.309 38.487 -0.963 0.000 1.122 1285 N HN -0.066 nan 8.380 nan 0.000 0.509 1286 K N 0.000 120.340 120.400 -0.101 0.000 2.780 1286 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1286 K CA 0.000 56.246 56.287 -0.068 0.000 0.838 1286 K CB 0.000 32.470 32.500 -0.050 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543