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_L DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX XXXXXXXPSL SKMIQMAGEI ADGMAYLNAN DATA SEQUENCE KFVHRDLAAR NCMVAEDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM DATA SEQUENCE SPESLKDGVF TTYSDVWSFG VVLWEIATLA EQPYQGLSNE QVLRFVMEGG DATA SEQUENCE LLDKPDNCPD MLFELMRMCW QYNPKMRPSF LEIISSIKEE MEPGFREVSF DATA SEQUENCE YYSEEN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 980 S HA 0.000 nan 4.470 nan 0.000 0.327 980 S C 0.000 174.668 174.600 0.113 0.000 1.055 980 S CA 0.000 58.253 58.200 0.088 0.000 1.107 980 S CB 0.000 63.245 63.200 0.075 0.000 0.593 981 F N 2.882 122.841 119.950 0.016 0.000 2.443 981 F HA 0.648 5.175 4.527 0.000 0.000 0.353 981 F C 0.675 176.492 175.800 0.028 0.000 1.101 981 F CA 1.311 59.324 58.000 0.022 0.000 1.226 981 F CB 1.118 40.130 39.000 0.020 0.000 1.140 981 F HN 1.045 nan 8.300 nan 0.000 0.557 982 S N 3.671 119.131 115.700 -0.400 0.000 2.671 982 S HA 0.681 5.151 4.470 0.000 0.000 0.277 982 S C 0.416 174.853 174.600 -0.272 0.000 1.165 982 S CA -0.392 57.693 58.200 -0.191 0.000 0.822 982 S CB 0.959 64.098 63.200 -0.102 0.000 1.150 982 S HN 0.932 nan 8.310 nan 0.000 0.479 983 A N 1.026 123.800 122.820 -0.077 0.000 1.948 983 A HA 0.109 4.429 4.320 0.000 0.000 0.220 983 A C 2.332 179.925 177.584 0.014 0.000 1.177 983 A CA 2.431 54.480 52.037 0.020 0.000 0.636 983 A CB -1.755 17.171 19.000 -0.124 0.000 0.815 983 A HN 1.673 nan 8.150 nan 0.000 0.449 984 A N -0.408 122.360 122.820 -0.087 0.000 2.024 984 A HA -0.197 4.123 4.320 0.000 0.000 0.220 984 A C 1.727 179.243 177.584 -0.114 0.000 1.164 984 A CA 1.710 53.700 52.037 -0.080 0.000 0.643 984 A CB -0.488 18.468 19.000 -0.073 0.000 0.806 984 A HN 0.567 nan 8.150 nan 0.000 0.451 985 D N -0.830 119.412 120.400 -0.263 0.000 2.183 985 D HA -0.077 4.563 4.640 0.000 0.000 0.203 985 D C 1.930 178.114 176.300 -0.193 0.000 0.969 985 D CA 1.683 55.480 54.000 -0.339 0.000 0.842 985 D CB 0.189 40.484 40.800 -0.841 0.000 0.957 985 D HN 0.425 nan 8.370 nan 0.000 0.484 986 V N -1.361 118.472 119.914 -0.135 0.000 3.212 986 V HA 0.010 4.130 4.120 0.000 0.000 0.244 986 V C 1.266 177.278 176.094 -0.136 0.000 1.151 986 V CA 0.382 62.632 62.300 -0.083 0.000 1.119 986 V CB -0.329 31.459 31.823 -0.057 0.000 0.838 986 V HN 0.002 nan 8.190 nan 0.000 0.470 987 Y N 1.481 121.729 120.300 -0.087 0.000 2.490 987 Y HA 0.413 4.963 4.550 0.000 0.000 0.281 987 Y C 0.806 176.642 175.900 -0.107 0.000 1.174 987 Y CA 0.586 58.632 58.100 -0.091 0.000 1.295 987 Y CB 0.680 39.072 38.460 -0.113 0.000 1.062 987 Y HN 0.306 nan 8.280 nan 0.000 0.522 988 V N -2.254 117.675 119.914 0.025 0.000 2.656 988 V HA 0.592 4.712 4.120 0.000 0.000 0.307 988 V C -2.930 173.201 176.094 0.062 0.000 1.051 988 V CA -3.250 59.054 62.300 0.006 0.000 0.893 988 V CB 1.585 33.396 31.823 -0.020 0.000 0.999 988 V HN -0.198 nan 8.190 nan 0.000 0.426 989 P HA 0.256 nan 4.420 nan 0.000 0.271 989 P C 0.159 177.548 177.300 0.149 0.000 1.233 989 P CA 0.031 63.230 63.100 0.165 0.000 0.764 989 P CB 0.369 32.239 31.700 0.283 0.000 0.825 990 D N 2.405 122.841 120.400 0.061 0.000 2.429 990 D HA -0.136 4.504 4.640 0.000 0.000 0.230 990 D C 0.911 177.209 176.300 -0.003 0.000 1.005 990 D CA 0.835 54.854 54.000 0.032 0.000 0.963 990 D CB 0.197 41.004 40.800 0.011 0.000 0.872 990 D HN 0.619 nan 8.370 nan 0.000 0.524 991 E N -1.177 118.999 120.200 -0.039 0.000 2.474 991 E HA -0.036 4.314 4.350 0.000 0.000 0.195 991 E C 0.983 177.367 176.600 -0.360 0.000 1.039 991 E CA -0.144 56.137 56.400 -0.198 0.000 0.881 991 E CB -0.219 29.321 29.700 -0.267 0.000 0.970 991 E HN 0.383 nan 8.360 nan 0.000 0.486 992 W N 2.064 123.339 121.300 -0.042 0.000 3.127 992 W HA 0.276 4.936 4.660 0.000 0.000 0.344 992 W C 0.881 177.375 176.519 -0.041 0.000 1.151 992 W CA -0.563 56.754 57.345 -0.047 0.000 1.765 992 W CB 0.769 30.190 29.460 -0.065 0.000 1.085 992 W HN -0.018 nan 8.180 nan 0.000 0.596 993 E N 0.889 121.163 120.200 0.123 0.000 2.369 993 E HA 0.367 4.717 4.350 0.000 0.000 0.255 993 E C -0.607 176.019 176.600 0.044 0.000 1.172 993 E CA -0.204 56.241 56.400 0.074 0.000 0.932 993 E CB 1.522 31.246 29.700 0.040 0.000 1.040 993 E HN -0.187 nan 8.360 nan 0.000 0.454 994 V N 0.345 120.279 119.914 0.033 0.000 3.177 994 V HA 0.631 4.751 4.120 0.000 0.000 0.287 994 V C -1.719 174.384 176.094 0.014 0.000 1.465 994 V CA -0.210 62.102 62.300 0.020 0.000 1.020 994 V CB 1.532 33.371 31.823 0.026 0.000 1.152 994 V HN 0.829 nan 8.190 nan 0.000 0.448 995 A N 4.792 127.616 122.820 0.007 0.000 2.366 995 A HA 0.601 4.921 4.320 0.000 0.000 0.272 995 A C 1.008 178.593 177.584 0.002 0.000 1.135 995 A CA 0.089 52.128 52.037 0.003 0.000 0.804 995 A CB 0.332 19.332 19.000 0.000 0.000 1.064 995 A HN 1.412 nan 8.150 nan 0.000 0.499 996 R N 1.648 122.148 120.500 -0.002 0.000 2.357 996 R HA -0.074 4.266 4.340 0.000 0.000 0.202 996 R C 0.486 176.780 176.300 -0.010 0.000 1.047 996 R CA 1.266 57.362 56.100 -0.007 0.000 1.034 996 R CB 0.010 30.303 30.300 -0.013 0.000 0.875 996 R HN 0.766 nan 8.270 nan 0.000 0.473 997 E N 2.091 122.287 120.200 -0.007 0.000 2.158 997 E HA -0.124 4.226 4.350 0.000 0.000 0.191 997 E C 1.139 177.736 176.600 -0.005 0.000 0.982 997 E CA 0.750 57.146 56.400 -0.007 0.000 0.823 997 E CB -0.177 29.520 29.700 -0.005 0.000 0.766 997 E HN 0.428 nan 8.360 nan 0.000 0.468 998 K N 0.333 120.732 120.400 -0.002 0.000 2.283 998 K HA 0.028 4.348 4.320 0.000 0.000 0.202 998 K C 0.626 177.227 176.600 0.002 0.000 1.048 998 K CA 0.490 56.777 56.287 0.001 0.000 0.948 998 K CB 0.179 32.681 32.500 0.004 0.000 0.742 998 K HN 0.118 nan 8.250 nan 0.000 0.458 999 I N 1.938 122.507 120.570 -0.002 0.000 2.359 999 I HA 0.069 4.239 4.170 0.000 0.000 0.294 999 I C 0.409 176.518 176.117 -0.013 0.000 0.987 999 I CA -0.243 61.055 61.300 -0.003 0.000 1.225 999 I CB 1.216 39.214 38.000 -0.003 0.000 1.366 999 I HN -0.036 nan 8.210 nan 0.000 0.466 1000 T N 5.344 119.892 114.554 -0.009 0.000 2.848 1000 T HA 0.706 5.056 4.350 0.000 0.000 0.285 1000 T C -0.563 174.129 174.700 -0.013 0.000 0.995 1000 T CA -0.843 61.248 62.100 -0.015 0.000 0.970 1000 T CB 1.368 70.233 68.868 -0.005 0.000 0.976 1000 T HN 0.419 nan 8.240 nan 0.000 0.441 1001 M N 3.715 123.291 119.600 -0.039 0.000 2.294 1001 M HA 0.407 4.887 4.480 0.000 0.000 0.335 1001 M C 1.006 177.319 176.300 0.023 0.000 1.079 1001 M CA -0.994 54.290 55.300 -0.027 0.000 0.982 1001 M CB 2.135 34.623 32.600 -0.186 0.000 1.651 1001 M HN 0.942 nan 8.290 nan 0.000 0.437 1002 S N 3.695 119.449 115.700 0.089 0.000 2.661 1002 S HA 0.332 4.802 4.470 0.000 0.000 0.162 1002 S C 0.398 175.093 174.600 0.160 0.000 0.788 1002 S CA -0.191 58.065 58.200 0.093 0.000 1.003 1002 S CB 0.194 63.431 63.200 0.062 0.000 0.713 1002 S HN 0.768 nan 8.310 nan 0.000 0.519 1003 R N 2.240 122.823 120.500 0.139 0.000 2.532 1003 R HA 0.506 4.846 4.340 0.000 0.000 0.295 1003 R C -0.588 175.736 176.300 0.040 0.000 0.968 1003 R CA -0.706 55.458 56.100 0.107 0.000 0.916 1003 R CB 0.272 30.595 30.300 0.038 0.000 1.124 1003 R HN 0.528 nan 8.270 nan 0.000 0.463 1004 E N 3.252 123.355 120.200 -0.161 0.000 2.442 1004 E HA -0.074 4.276 4.350 0.000 0.000 0.262 1004 E C -0.095 176.353 176.600 -0.253 0.000 1.004 1004 E CA 0.063 56.142 56.400 -0.535 0.000 0.928 1004 E CB 0.655 29.988 29.700 -0.612 0.000 0.937 1004 E HN 0.675 nan 8.360 nan 0.000 0.446 1005 L N 0.808 121.888 121.223 -0.239 0.000 2.362 1005 L HA 0.253 4.593 4.340 0.000 0.000 0.204 1005 L C 1.144 177.946 176.870 -0.114 0.000 1.060 1005 L CA 0.954 55.721 54.840 -0.121 0.000 0.827 1005 L CB 0.251 42.268 42.059 -0.070 0.000 1.027 1005 L HN 0.805 nan 8.230 nan 0.000 0.474 1006 G N -1.200 107.515 108.800 -0.143 0.000 2.322 1006 G HA2 0.228 4.188 3.960 0.000 0.000 0.295 1006 G HA3 0.228 4.188 3.960 0.000 0.000 0.295 1006 G C -1.964 172.869 174.900 -0.113 0.000 1.369 1006 G CA -0.630 44.403 45.100 -0.110 0.000 0.821 1006 G HN -0.210 nan 8.290 nan 0.000 0.536 1007 Q N -0.396 119.351 119.800 -0.088 0.000 2.286 1007 Q HA 0.584 4.924 4.340 0.000 0.000 0.257 1007 Q C 0.600 176.556 176.000 -0.074 0.000 0.941 1007 Q CA 0.902 56.656 55.803 -0.082 0.000 0.912 1007 Q CB 1.179 29.873 28.738 -0.072 0.000 1.192 1007 Q HN 0.951 nan 8.270 nan 0.000 0.410 1008 G N 0.471 109.228 108.800 -0.073 0.000 2.667 1008 G HA2 0.356 4.316 3.960 0.000 0.000 0.310 1008 G HA3 0.356 4.316 3.960 0.000 0.000 0.310 1008 G C 0.482 175.313 174.900 -0.114 0.000 1.259 1008 G CA -0.130 44.931 45.100 -0.065 0.000 1.019 1008 G HN 0.731 nan 8.290 nan 0.000 0.496 1009 S N -0.694 114.923 115.700 -0.137 0.000 2.353 1009 S HA -0.109 4.361 4.470 0.000 0.000 0.222 1009 S C 1.579 175.875 174.600 -0.506 0.000 1.035 1009 S CA 1.456 59.449 58.200 -0.344 0.000 1.025 1009 S CB -0.388 62.571 63.200 -0.403 0.000 0.902 1009 S HN 0.363 nan 8.310 nan 0.000 0.440 1010 F N 1.873 121.692 119.950 -0.218 0.000 2.678 1010 F HA 0.562 5.089 4.527 0.000 0.000 0.305 1010 F C 1.395 177.019 175.800 -0.292 0.000 1.090 1010 F CA 0.099 57.913 58.000 -0.310 0.000 1.272 1010 F CB 0.940 39.575 39.000 -0.607 0.000 1.060 1010 F HN 0.566 nan 8.300 nan 0.000 0.576 1011 G N -0.299 108.444 108.800 -0.096 0.000 2.348 1011 G HA2 0.354 4.314 3.960 0.000 0.000 0.296 1011 G HA3 0.354 4.314 3.960 0.000 0.000 0.296 1011 G C -1.770 173.104 174.900 -0.043 0.000 1.258 1011 G CA -0.988 44.069 45.100 -0.071 0.000 0.868 1011 G HN -0.126 nan 8.290 nan 0.000 0.488 1012 M N 0.630 120.234 119.600 0.007 0.000 2.314 1012 M HA 0.685 5.165 4.480 0.000 0.000 0.342 1012 M C -0.525 175.805 176.300 0.049 0.000 1.171 1012 M CA -0.382 54.917 55.300 -0.002 0.000 1.098 1012 M CB 1.685 34.294 32.600 0.014 0.000 1.559 1012 M HN 0.345 nan 8.290 nan 0.000 0.459 1013 V N 5.412 125.290 119.914 -0.059 0.000 2.435 1013 V HA 0.444 4.564 4.120 0.000 0.000 0.290 1013 V C -1.071 174.959 176.094 -0.107 0.000 1.030 1013 V CA -0.516 61.790 62.300 0.011 0.000 0.881 1013 V CB 1.078 32.896 31.823 -0.009 0.000 0.983 1013 V HN 0.787 nan 8.190 nan 0.000 0.445 1014 Y N 1.586 121.889 120.300 0.005 0.000 2.549 1014 Y HA 0.506 5.056 4.550 0.000 0.000 0.339 1014 Y C 0.355 176.259 175.900 0.007 0.000 1.053 1014 Y CA -0.790 57.313 58.100 0.004 0.000 1.105 1014 Y CB 1.783 40.245 38.460 0.004 0.000 1.258 1014 Y HN 0.674 nan 8.280 nan 0.000 0.478 1015 E N 0.774 121.064 120.200 0.149 0.000 2.319 1015 E HA 0.657 5.007 4.350 0.000 0.000 0.268 1015 E C -0.353 176.310 176.600 0.105 0.000 1.050 1015 E CA -0.323 56.133 56.400 0.095 0.000 0.878 1015 E CB 1.122 30.853 29.700 0.052 0.000 1.066 1015 E HN 0.839 nan 8.360 nan 0.000 0.406 1016 G N 0.899 109.740 108.800 0.068 0.000 2.489 1016 G HA2 0.392 4.352 3.960 0.000 0.000 0.305 1016 G HA3 0.392 4.352 3.960 0.000 0.000 0.305 1016 G C -1.697 173.223 174.900 0.034 0.000 1.311 1016 G CA -0.535 44.596 45.100 0.051 0.000 0.813 1016 G HN 0.503 nan 8.290 nan 0.000 0.480 1017 V N 0.092 120.021 119.914 0.025 0.000 2.604 1017 V HA 0.772 4.892 4.120 0.000 0.000 0.305 1017 V C -0.057 176.047 176.094 0.017 0.000 1.043 1017 V CA -0.189 62.122 62.300 0.019 0.000 0.888 1017 V CB 1.609 33.441 31.823 0.015 0.000 0.995 1017 V HN 1.533 nan 8.190 nan 0.000 0.429 1018 A N 4.828 127.659 122.820 0.018 0.000 2.285 1018 A HA 0.598 4.918 4.320 0.000 0.000 0.310 1018 A C -0.257 177.336 177.584 0.014 0.000 1.266 1018 A CA -0.681 51.366 52.037 0.018 0.000 0.832 1018 A CB 0.554 19.569 19.000 0.025 0.000 1.163 1018 A HN 0.850 nan 8.150 nan 0.000 0.499 1019 K N 2.520 122.926 120.400 0.010 0.000 2.383 1019 K HA 0.388 4.708 4.320 0.000 0.000 0.286 1019 K C 0.839 177.442 176.600 0.006 0.000 1.051 1019 K CA 0.797 57.088 56.287 0.007 0.000 0.974 1019 K CB 0.104 32.607 32.500 0.004 0.000 0.968 1019 K HN 1.775 nan 8.250 nan 0.000 0.475 1020 G N 3.062 111.865 108.800 0.005 0.000 2.323 1020 G HA2 -0.254 3.706 3.960 0.000 0.000 0.292 1020 G HA3 -0.254 3.706 3.960 0.000 0.000 0.292 1020 G C 0.342 175.243 174.900 0.002 0.000 1.040 1020 G CA 0.354 45.455 45.100 0.002 0.000 0.942 1020 G HN 0.939 nan 8.290 nan 0.000 0.506 1021 V N -4.186 115.733 119.914 0.008 0.000 3.263 1021 V HA 0.536 4.656 4.120 0.000 0.000 0.248 1021 V C 1.186 177.287 176.094 0.011 0.000 1.145 1021 V CA 0.764 63.071 62.300 0.012 0.000 1.107 1021 V CB 0.554 32.394 31.823 0.027 0.000 0.797 1021 V HN 0.405 nan 8.190 nan 0.000 0.467 1022 V N 2.274 122.195 119.914 0.012 0.000 2.532 1022 V HA 0.466 4.586 4.120 0.000 0.000 0.295 1022 V C -0.191 175.905 176.094 0.004 0.000 1.041 1022 V CA -0.898 61.409 62.300 0.011 0.000 0.926 1022 V CB 1.759 33.592 31.823 0.018 0.000 0.992 1022 V HN 0.532 nan 8.190 nan 0.000 0.457 1023 K N 3.931 124.331 120.400 0.000 0.000 2.436 1023 K HA 0.247 4.567 4.320 0.000 0.000 0.282 1023 K C 0.230 176.830 176.600 0.000 0.000 1.044 1023 K CA 0.218 56.503 56.287 -0.004 0.000 1.028 1023 K CB -0.211 32.285 32.500 -0.007 0.000 0.919 1023 K HN 0.609 nan 8.250 nan 0.000 0.474 1024 D N 1.038 121.437 120.400 -0.001 0.000 3.070 1024 D HA -0.159 4.481 4.640 0.000 0.000 0.210 1024 D C -0.972 175.330 176.300 0.004 0.000 1.103 1024 D CA 1.037 55.038 54.000 0.001 0.000 0.980 1024 D CB -0.769 40.032 40.800 0.002 0.000 1.100 1024 D HN 0.784 nan 8.370 nan 0.000 0.423 1025 E N -0.456 119.746 120.200 0.005 0.000 2.220 1025 E HA 0.255 4.605 4.350 0.000 0.000 0.256 1025 E C -1.911 174.693 176.600 0.006 0.000 0.881 1025 E CA -1.702 54.702 56.400 0.007 0.000 0.766 1025 E CB 1.937 31.644 29.700 0.011 0.000 1.187 1025 E HN -0.111 nan 8.360 nan 0.000 0.419 1026 P HA -0.127 nan 4.420 nan 0.000 0.218 1026 P C -0.408 176.895 177.300 0.006 0.000 1.149 1026 P CA 1.219 64.321 63.100 0.004 0.000 0.817 1026 P CB 0.459 32.161 31.700 0.004 0.000 0.785 1027 E N -2.247 117.957 120.200 0.008 0.000 2.383 1027 E HA 0.503 4.853 4.350 0.000 0.000 0.275 1027 E C -0.991 175.617 176.600 0.012 0.000 0.918 1027 E CA -0.617 55.788 56.400 0.010 0.000 0.764 1027 E CB 2.286 31.991 29.700 0.009 0.000 1.252 1027 E HN -0.288 nan 8.360 nan 0.000 0.449 1028 T N 1.301 115.863 114.554 0.014 0.000 2.952 1028 T HA 0.334 4.684 4.350 0.000 0.000 0.305 1028 T C -0.674 174.037 174.700 0.018 0.000 1.064 1028 T CA -0.836 61.274 62.100 0.016 0.000 1.008 1028 T CB 1.230 70.110 68.868 0.019 0.000 1.078 1028 T HN 0.252 nan 8.240 nan 0.000 0.459 1029 R N 1.712 122.222 120.500 0.016 0.000 2.442 1029 R HA 0.556 4.896 4.340 0.000 0.000 0.291 1029 R C -0.040 176.272 176.300 0.021 0.000 1.069 1029 R CA -0.418 55.692 56.100 0.017 0.000 1.022 1029 R CB 0.426 30.732 30.300 0.010 0.000 0.976 1029 R HN 0.512 nan 8.270 nan 0.000 0.443 1030 V N -1.183 118.748 119.914 0.028 0.000 3.114 1030 V HA 0.814 4.934 4.120 0.000 0.000 0.308 1030 V C -0.615 175.506 176.094 0.045 0.000 1.168 1030 V CA -1.351 60.970 62.300 0.035 0.000 1.015 1030 V CB 1.995 33.842 31.823 0.040 0.000 1.050 1030 V HN 0.799 nan 8.190 nan 0.000 0.433 1031 A N 3.587 126.437 122.820 0.049 0.000 2.309 1031 A HA 0.892 5.212 4.320 0.000 0.000 0.298 1031 A C -0.359 177.275 177.584 0.084 0.000 1.165 1031 A CA -0.647 51.429 52.037 0.064 0.000 0.821 1031 A CB 0.385 19.416 19.000 0.051 0.000 1.102 1031 A HN 0.941 nan 8.150 nan 0.000 0.500 1032 I N 1.519 122.158 120.570 0.116 0.000 2.466 1032 I HA 0.420 4.590 4.170 0.000 0.000 0.289 1032 I C -0.193 176.024 176.117 0.167 0.000 1.026 1032 I CA -0.536 60.837 61.300 0.123 0.000 1.078 1032 I CB 1.689 39.745 38.000 0.094 0.000 1.249 1032 I HN 0.766 nan 8.210 nan 0.000 0.429 1033 K N 4.742 125.230 120.400 0.148 0.000 2.206 1033 K HA 0.523 4.843 4.320 0.000 0.000 0.264 1033 K C -0.376 176.288 176.600 0.105 0.000 0.967 1033 K CA -0.258 56.113 56.287 0.140 0.000 0.844 1033 K CB 1.589 34.167 32.500 0.130 0.000 1.099 1033 K HN 0.800 nan 8.250 nan 0.000 0.441 1034 T N 0.172 114.779 114.554 0.089 0.000 2.767 1034 T HA 0.351 4.701 4.350 0.000 0.000 0.284 1034 T C -0.309 174.370 174.700 -0.035 0.000 0.973 1034 T CA -0.781 61.339 62.100 0.034 0.000 0.996 1034 T CB 1.169 70.056 68.868 0.031 0.000 0.927 1034 T HN 0.190 nan 8.240 nan 0.000 0.456 1035 V N 5.957 125.835 119.914 -0.060 0.000 2.277 1035 V HA 0.281 4.401 4.120 0.000 0.000 0.269 1035 V C 0.933 177.004 176.094 -0.038 0.000 1.036 1035 V CA -1.121 61.115 62.300 -0.107 0.000 0.821 1035 V CB -0.396 31.317 31.823 -0.184 0.000 1.052 1035 V HN 1.075 nan 8.190 nan 0.000 0.462 1036 N N 2.503 121.187 118.700 -0.027 0.000 2.297 1036 N HA 0.025 4.765 4.740 0.000 0.000 0.232 1036 N C 1.149 176.653 175.510 -0.010 0.000 1.311 1036 N CA 0.082 53.125 53.050 -0.012 0.000 0.897 1036 N CB 0.859 39.344 38.487 -0.003 0.000 1.137 1036 N HN 0.694 nan 8.380 nan 0.000 0.449 1037 E N 0.284 120.481 120.200 -0.004 0.000 2.150 1037 E HA -0.136 4.214 4.350 0.000 0.000 0.193 1037 E C 0.792 177.393 176.600 0.001 0.000 0.985 1037 E CA 1.030 57.429 56.400 -0.001 0.000 0.814 1037 E CB -0.247 29.454 29.700 0.003 0.000 0.752 1037 E HN 0.652 nan 8.360 nan 0.000 0.466 1038 A N 0.909 123.729 122.820 0.001 0.000 3.046 1038 A HA 0.531 4.851 4.320 0.000 0.000 0.259 1038 A C 0.055 177.640 177.584 0.001 0.000 1.843 1038 A CA 0.388 52.426 52.037 0.002 0.000 1.451 1038 A CB -1.047 17.954 19.000 0.001 0.000 1.025 1038 A HN 0.426 nan 8.150 nan 0.000 0.625 1039 A N 0.870 123.691 122.820 0.002 0.000 2.427 1039 A HA 0.656 4.976 4.320 0.000 0.000 0.298 1039 A C 0.210 177.798 177.584 0.007 0.000 1.036 1039 A CA -0.049 51.992 52.037 0.006 0.000 0.701 1039 A CB 0.687 19.685 19.000 -0.002 0.000 1.250 1039 A HN 1.284 nan 8.150 nan 0.000 0.412 1040 S N 2.631 118.340 115.700 0.014 0.000 2.562 1040 S HA 0.211 4.681 4.470 0.000 0.000 0.281 1040 S C 1.258 175.857 174.600 -0.001 0.000 1.333 1040 S CA 0.252 58.459 58.200 0.011 0.000 1.052 1040 S CB 0.421 63.631 63.200 0.016 0.000 0.884 1040 S HN 1.013 nan 8.310 nan 0.000 0.506 1041 M N 2.033 121.629 119.600 -0.008 0.000 2.144 1041 M HA -0.189 4.291 4.480 0.000 0.000 0.260 1041 M C 2.416 178.679 176.300 -0.061 0.000 1.067 1041 M CA 1.621 56.901 55.300 -0.033 0.000 1.095 1041 M CB -0.251 32.341 32.600 -0.012 0.000 1.365 1041 M HN 0.893 nan 8.290 nan 0.000 0.406 1042 R N 0.386 120.868 120.500 -0.030 0.000 2.096 1042 R HA -0.196 4.144 4.340 0.000 0.000 0.240 1042 R C 1.857 178.144 176.300 -0.022 0.000 1.139 1042 R CA 2.391 58.474 56.100 -0.029 0.000 0.952 1042 R CB -0.412 29.890 30.300 0.003 0.000 0.854 1042 R HN 0.606 nan 8.270 nan 0.000 0.436 1043 E N -0.376 119.837 120.200 0.021 0.000 2.077 1043 E HA -0.221 4.129 4.350 0.000 0.000 0.193 1043 E C 2.191 178.781 176.600 -0.016 0.000 0.989 1043 E CA 0.834 57.288 56.400 0.090 0.000 0.800 1043 E CB -0.198 29.587 29.700 0.142 0.000 0.746 1043 E HN 0.291 nan 8.360 nan 0.000 0.452 1044 R N 0.924 121.393 120.500 -0.051 0.000 2.083 1044 R HA -0.152 4.188 4.340 0.000 0.000 0.237 1044 R C 2.372 178.551 176.300 -0.202 0.000 1.137 1044 R CA 1.251 57.304 56.100 -0.078 0.000 0.951 1044 R CB -0.188 30.070 30.300 -0.069 0.000 0.851 1044 R HN 0.146 nan 8.270 nan 0.000 0.434 1045 I N 0.425 120.817 120.570 -0.296 0.000 2.179 1045 I HA -0.265 3.905 4.170 0.000 0.000 0.242 1045 I C 2.569 178.471 176.117 -0.357 0.000 1.088 1045 I CA 1.601 62.588 61.300 -0.521 0.000 1.357 1045 I CB -0.498 37.142 38.000 -0.601 0.000 1.051 1045 I HN 0.400 nan 8.210 nan 0.000 0.409 1046 E N 1.149 121.223 120.200 -0.210 0.000 2.118 1046 E HA -0.292 4.058 4.350 0.000 0.000 0.195 1046 E C 2.224 178.676 176.600 -0.247 0.000 0.992 1046 E CA 1.421 57.746 56.400 -0.125 0.000 0.804 1046 E CB -0.194 29.530 29.700 0.039 0.000 0.741 1046 E HN 0.437 nan 8.360 nan 0.000 0.458 1047 F N 0.835 120.360 119.950 -0.708 0.000 2.186 1047 F HA -0.102 4.425 4.527 0.000 0.000 0.299 1047 F C 1.741 177.204 175.800 -0.561 0.000 1.090 1047 F CA 0.788 58.095 58.000 -1.154 0.000 1.307 1047 F CB -0.219 37.834 39.000 -1.578 0.000 1.019 1047 F HN 0.076 nan 8.300 nan 0.000 0.489 1048 L N 0.752 121.573 121.223 -0.671 0.000 2.156 1048 L HA -0.119 4.221 4.340 0.000 0.000 0.208 1048 L C 2.006 178.616 176.870 -0.433 0.000 1.095 1048 L CA 1.498 55.963 54.840 -0.624 0.000 0.770 1048 L CB -1.707 40.119 42.059 -0.388 0.000 0.914 1048 L HN 0.245 nan 8.230 nan 0.000 0.439 1049 N N -0.889 117.624 118.700 -0.312 0.000 2.216 1049 N HA -0.198 4.542 4.740 0.000 0.000 0.183 1049 N C 1.687 177.065 175.510 -0.220 0.000 1.017 1049 N CA 0.799 53.732 53.050 -0.195 0.000 0.861 1049 N CB 0.101 38.524 38.487 -0.106 0.000 0.986 1049 N HN 0.383 nan 8.380 nan 0.000 0.428 1050 E N 0.922 120.985 120.200 -0.228 0.000 2.077 1050 E HA -0.156 4.194 4.350 0.000 0.000 0.193 1050 E C 1.905 178.347 176.600 -0.263 0.000 0.989 1050 E CA 1.029 57.328 56.400 -0.169 0.000 0.800 1050 E CB 0.002 29.677 29.700 -0.042 0.000 0.746 1050 E HN 0.364 nan 8.360 nan 0.000 0.452 1051 A N 0.141 122.718 122.820 -0.405 0.000 1.972 1051 A HA -0.139 4.182 4.320 0.000 0.000 0.219 1051 A C 2.313 179.588 177.584 -0.514 0.000 1.169 1051 A CA 1.609 53.368 52.037 -0.464 0.000 0.635 1051 A CB -0.424 18.210 19.000 -0.611 0.000 0.810 1051 A HN 0.235 nan 8.150 nan 0.000 0.446 1052 S N -0.426 115.000 115.700 -0.456 0.000 2.399 1052 S HA -0.112 4.358 4.470 0.000 0.000 0.231 1052 S C 1.871 176.196 174.600 -0.458 0.000 1.022 1052 S CA 1.352 59.284 58.200 -0.447 0.000 0.983 1052 S CB -0.365 62.666 63.200 -0.281 0.000 0.803 1052 S HN 0.392 nan 8.310 nan 0.000 0.480 1053 V N 2.216 121.863 119.914 -0.444 0.000 2.343 1053 V HA -0.201 3.919 4.120 0.000 0.000 0.247 1053 V C 2.415 177.885 176.094 -1.040 0.000 1.051 1053 V CA 1.360 63.302 62.300 -0.597 0.000 1.036 1053 V CB -0.665 30.860 31.823 -0.498 0.000 0.654 1053 V HN 0.449 nan 8.190 nan 0.000 0.451 1054 M N 0.563 119.658 119.600 -0.841 0.000 2.151 1054 M HA -0.326 4.154 4.480 0.000 0.000 0.256 1054 M C 2.654 178.484 176.300 -0.784 0.000 1.072 1054 M CA 3.071 57.885 55.300 -0.810 0.000 1.090 1054 M CB -1.387 30.948 32.600 -0.442 0.000 1.294 1054 M HN 0.526 nan 8.290 nan 0.000 0.415 1055 K N 0.330 120.287 120.400 -0.739 0.000 2.148 1055 K HA -0.289 4.031 4.320 0.000 0.000 0.213 1055 K C 1.708 178.223 176.600 -0.143 0.000 1.050 1055 K CA 2.522 58.424 56.287 -0.641 0.000 0.932 1055 K CB -1.607 30.381 32.500 -0.853 0.000 0.717 1055 K HN 0.568 nan 8.250 nan 0.000 0.462 1056 E N -0.669 119.324 120.200 -0.345 0.000 2.070 1056 E HA -0.081 4.269 4.350 0.000 0.000 0.197 1056 E C 0.103 176.744 176.600 0.068 0.000 1.004 1056 E CA 0.994 57.298 56.400 -0.160 0.000 0.805 1056 E CB -0.321 29.224 29.700 -0.258 0.000 0.744 1056 E HN 0.587 nan 8.360 nan 0.000 0.451 1057 F N 1.081 121.040 119.950 0.014 0.000 2.472 1057 F HA 0.237 4.764 4.527 0.000 0.000 0.364 1057 F C 0.583 176.456 175.800 0.120 0.000 1.090 1057 F CA -0.449 57.652 58.000 0.168 0.000 1.188 1057 F CB -0.095 38.912 39.000 0.011 0.000 1.105 1057 F HN 0.007 nan 8.300 nan 0.000 0.536 1058 N N 3.092 121.971 118.700 0.299 0.000 2.791 1058 N HA 0.275 5.015 4.740 0.000 0.000 0.265 1058 N C -1.449 173.924 175.510 -0.227 0.000 1.580 1058 N CA -0.147 52.943 53.050 0.066 0.000 0.809 1058 N CB 0.468 39.024 38.487 0.115 0.000 1.178 1058 N HN 0.675 nan 8.380 nan 0.000 0.499 1059 C N 0.948 119.992 119.300 -0.426 0.000 2.486 1059 C HA 0.370 4.830 4.460 0.000 0.000 0.348 1059 C C 1.844 176.702 174.990 -0.220 0.000 1.203 1059 C CA -0.287 58.392 59.018 -0.564 0.000 1.911 1059 C CB 1.108 28.285 27.740 -0.939 0.000 2.340 1059 C HN 0.816 nan 8.230 nan 0.000 0.511 1060 H N 0.320 119.209 119.070 -0.302 0.000 2.395 1060 H HA 0.037 4.593 4.556 0.000 0.000 0.299 1060 H C 1.095 176.209 175.328 -0.357 0.000 1.070 1060 H CA 2.154 57.993 56.048 -0.349 0.000 1.356 1060 H CB -0.094 29.376 29.762 -0.486 0.000 1.401 1060 H HN 0.854 nan 8.280 nan 0.000 0.524 1061 H N -1.017 118.053 119.070 -0.000 0.000 2.567 1061 H HA 0.344 4.900 4.556 0.000 0.000 0.294 1061 H C -0.655 174.675 175.328 0.003 0.000 1.050 1061 H CA -0.179 55.867 56.048 -0.003 0.000 1.168 1061 H CB 0.447 30.271 29.762 0.104 0.000 1.422 1061 H HN 0.013 nan 8.280 nan 0.000 0.562 1062 V N 1.498 121.436 119.914 0.040 0.000 2.588 1062 V HA 0.116 4.236 4.120 0.000 0.000 0.304 1062 V C -0.082 176.076 176.094 0.106 0.000 1.042 1062 V CA -1.128 61.253 62.300 0.134 0.000 0.877 1062 V CB 2.360 34.290 31.823 0.178 0.000 0.996 1062 V HN 0.027 nan 8.190 nan 0.000 0.425 1063 V N 6.339 126.339 119.914 0.142 0.000 2.458 1063 V HA 0.149 4.269 4.120 0.000 0.000 0.287 1063 V C 0.769 176.946 176.094 0.138 0.000 1.009 1063 V CA -0.057 62.302 62.300 0.097 0.000 1.091 1063 V CB -0.330 31.543 31.823 0.084 0.000 0.960 1063 V HN 0.966 nan 8.190 nan 0.000 0.476 1064 R N 4.919 125.468 120.500 0.083 0.000 2.486 1064 R HA 0.707 5.047 4.340 0.000 0.000 0.286 1064 R C -0.607 175.737 176.300 0.073 0.000 0.999 1064 R CA -0.939 55.214 56.100 0.088 0.000 0.993 1064 R CB 1.484 31.831 30.300 0.079 0.000 1.084 1064 R HN 0.610 nan 8.270 nan 0.000 0.487 1065 L N 3.732 124.985 121.223 0.049 0.000 2.319 1065 L HA 0.176 4.516 4.340 0.000 0.000 0.280 1065 L C 0.150 177.109 176.870 0.148 0.000 1.099 1065 L CA -0.310 54.543 54.840 0.022 0.000 0.828 1065 L CB 0.664 42.623 42.059 -0.166 0.000 1.150 1065 L HN 0.788 nan 8.230 nan 0.000 0.442 1066 L N 5.392 126.693 121.223 0.131 0.000 2.607 1066 L HA 0.464 4.804 4.340 0.000 0.000 0.228 1066 L C 0.740 177.723 176.870 0.189 0.000 1.123 1066 L CA 0.303 55.236 54.840 0.155 0.000 0.890 1066 L CB -0.345 41.769 42.059 0.091 0.000 1.103 1066 L HN 0.906 nan 8.230 nan 0.000 0.468 1067 G N 0.135 109.065 108.800 0.217 0.000 2.340 1067 G HA2 0.165 4.125 3.960 0.000 0.000 0.527 1067 G HA3 0.165 4.125 3.960 0.000 0.000 0.527 1067 G C -1.656 173.312 174.900 0.114 0.000 1.381 1067 G CA -0.241 45.004 45.100 0.241 0.000 1.001 1067 G HN -0.067 nan 8.290 nan 0.000 0.626 1068 V N -1.259 118.720 119.914 0.107 0.000 2.656 1068 V HA 0.848 4.968 4.120 0.000 0.000 0.307 1068 V C -0.283 175.838 176.094 0.045 0.000 1.051 1068 V CA -0.902 61.422 62.300 0.040 0.000 0.893 1068 V CB 1.833 33.637 31.823 -0.032 0.000 0.999 1068 V HN 1.330 nan 8.190 nan 0.000 0.426 1069 V N 5.925 125.859 119.914 0.032 0.000 2.368 1069 V HA 0.400 4.520 4.120 0.000 0.000 0.266 1069 V C 1.271 177.371 176.094 0.010 0.000 1.045 1069 V CA 0.763 63.076 62.300 0.021 0.000 0.899 1069 V CB 0.531 32.363 31.823 0.015 0.000 1.006 1069 V HN 1.198 nan 8.190 nan 0.000 0.470 1070 S N 3.361 119.061 115.700 0.000 0.000 2.514 1070 S HA 0.120 4.590 4.470 0.000 0.000 0.223 1070 S C 0.693 175.273 174.600 -0.033 0.000 1.046 1070 S CA -0.281 57.907 58.200 -0.020 0.000 0.914 1070 S CB 0.289 63.472 63.200 -0.028 0.000 0.807 1070 S HN 0.632 nan 8.310 nan 0.000 0.497 1071 Q N 2.186 121.974 119.800 -0.020 0.000 2.369 1071 Q HA 0.606 4.946 4.340 0.000 0.000 0.247 1071 Q C 0.250 176.243 176.000 -0.012 0.000 1.083 1071 Q CA 0.425 56.217 55.803 -0.018 0.000 0.905 1071 Q CB 0.391 29.126 28.738 -0.006 0.000 1.305 1071 Q HN 0.674 nan 8.270 nan 0.000 0.465 1072 G N 1.435 110.226 108.800 -0.015 0.000 2.353 1072 G HA2 -0.074 3.886 3.960 0.000 0.000 0.308 1072 G HA3 -0.074 3.886 3.960 0.000 0.000 0.308 1072 G C -0.105 174.789 174.900 -0.010 0.000 1.418 1072 G CA -0.606 44.488 45.100 -0.010 0.000 0.966 1072 G HN 0.365 nan 8.290 nan 0.000 0.638 1073 Q N 0.029 119.823 119.800 -0.009 0.000 1.942 1073 Q HA 0.116 4.456 4.340 0.000 0.000 0.203 1073 Q C -1.096 174.898 176.000 -0.009 0.000 0.987 1073 Q CA 2.369 58.167 55.803 -0.007 0.000 0.844 1073 Q CB -0.612 28.122 28.738 -0.007 0.000 0.911 1073 Q HN 0.547 nan 8.270 nan 0.000 0.423 1074 P HA 0.139 nan 4.420 nan 0.000 0.292 1074 P C -1.212 176.088 177.300 0.000 0.000 1.326 1074 P CA 0.006 63.099 63.100 -0.011 0.000 0.787 1074 P CB 1.266 32.951 31.700 -0.026 0.000 0.903 1075 T N 4.838 119.402 114.554 0.017 0.000 2.867 1075 T HA 0.184 4.534 4.350 0.000 0.000 0.297 1075 T C 0.532 175.277 174.700 0.076 0.000 0.989 1075 T CA 0.287 62.414 62.100 0.046 0.000 1.159 1075 T CB -0.110 68.805 68.868 0.077 0.000 0.928 1075 T HN 0.228 nan 8.240 nan 0.000 0.538 1076 L N 3.455 124.717 121.223 0.064 0.000 2.325 1076 L HA 0.677 5.017 4.340 0.000 0.000 0.278 1076 L C -0.362 176.568 176.870 0.100 0.000 1.023 1076 L CA -1.125 53.761 54.840 0.077 0.000 0.811 1076 L CB 1.641 43.721 42.059 0.035 0.000 1.249 1076 L HN 0.297 nan 8.230 nan 0.000 0.431 1077 V N 3.851 123.852 119.914 0.144 0.000 2.444 1077 V HA 0.403 4.523 4.120 0.000 0.000 0.294 1077 V C -0.243 175.906 176.094 0.091 0.000 1.022 1077 V CA -0.377 61.984 62.300 0.102 0.000 0.850 1077 V CB 1.988 33.896 31.823 0.141 0.000 0.992 1077 V HN 0.456 nan 8.190 nan 0.000 0.426 1078 I N 6.267 126.875 120.570 0.063 0.000 2.307 1078 I HA 0.415 4.585 4.170 0.000 0.000 0.289 1078 I C 0.156 176.309 176.117 0.061 0.000 1.021 1078 I CA 0.257 61.596 61.300 0.065 0.000 1.224 1078 I CB 1.006 39.043 38.000 0.061 0.000 1.376 1078 I HN 0.386 nan 8.210 nan 0.000 0.470 1079 M N 4.651 124.289 119.600 0.062 0.000 2.598 1079 M HA 0.336 4.816 4.480 0.000 0.000 0.317 1079 M C 0.181 176.511 176.300 0.050 0.000 1.201 1079 M CA -0.695 54.639 55.300 0.057 0.000 0.971 1079 M CB 1.651 34.289 32.600 0.062 0.000 1.657 1079 M HN 0.577 nan 8.290 nan 0.000 0.470 1080 E N 2.064 122.291 120.200 0.044 0.000 2.413 1080 E HA 0.130 4.480 4.350 0.000 0.000 0.263 1080 E C -1.238 175.373 176.600 0.019 0.000 1.015 1080 E CA -0.227 56.191 56.400 0.030 0.000 0.916 1080 E CB 0.807 30.520 29.700 0.021 0.000 0.947 1080 E HN 0.587 nan 8.360 nan 0.000 0.440 1081 L N 5.062 126.291 121.223 0.011 0.000 2.319 1081 L HA 0.159 4.499 4.340 0.000 0.000 0.280 1081 L C -0.367 176.492 176.870 -0.019 0.000 1.099 1081 L CA -0.281 54.560 54.840 0.002 0.000 0.828 1081 L CB 0.806 42.867 42.059 0.004 0.000 1.150 1081 L HN 0.760 nan 8.230 nan 0.000 0.442 1082 M N 4.640 124.225 119.600 -0.025 0.000 2.158 1082 M HA 0.138 4.618 4.480 0.000 0.000 0.326 1082 M C 1.188 177.452 176.300 -0.061 0.000 1.014 1082 M CA -0.377 54.893 55.300 -0.050 0.000 0.961 1082 M CB 0.629 33.203 32.600 -0.044 0.000 1.327 1082 M HN 0.592 nan 8.290 nan 0.000 0.393 1083 T N -0.812 113.696 114.554 -0.077 0.000 2.849 1083 T HA -0.095 4.255 4.350 0.000 0.000 0.270 1083 T C 1.350 176.004 174.700 -0.077 0.000 1.066 1083 T CA 1.092 63.149 62.100 -0.071 0.000 1.130 1083 T CB -0.062 68.757 68.868 -0.081 0.000 0.864 1083 T HN 0.602 nan 8.240 nan 0.000 0.481 1084 R N 1.324 121.754 120.500 -0.115 0.000 2.359 1084 R HA 0.442 4.782 4.340 0.000 0.000 0.231 1084 R C 1.575 177.857 176.300 -0.030 0.000 0.913 1084 R CA 0.173 56.218 56.100 -0.092 0.000 1.075 1084 R CB -0.111 30.058 30.300 -0.218 0.000 1.087 1084 R HN 0.560 nan 8.270 nan 0.000 0.515 1085 G N 2.518 111.297 108.800 -0.034 0.000 2.645 1085 G HA2 -0.291 3.669 3.960 0.000 0.000 0.239 1085 G HA3 -0.291 3.669 3.960 0.000 0.000 0.239 1085 G C -0.726 174.174 174.900 0.000 0.000 1.331 1085 G CA -0.119 44.976 45.100 -0.007 0.000 0.890 1085 G HN 0.468 nan 8.290 nan 0.000 0.572 1086 D N 0.147 120.559 120.400 0.020 0.000 2.341 1086 D HA 0.315 4.955 4.640 0.000 0.000 0.245 1086 D C 1.671 178.016 176.300 0.075 0.000 1.106 1086 D CA -0.308 53.706 54.000 0.023 0.000 0.905 1086 D CB 1.594 42.399 40.800 0.008 0.000 1.202 1086 D HN 0.578 nan 8.370 nan 0.000 0.426 1087 L N 1.781 123.044 121.223 0.066 0.000 2.042 1087 L HA -0.213 4.127 4.340 0.000 0.000 0.210 1087 L C 2.331 179.301 176.870 0.168 0.000 1.076 1087 L CA 1.881 56.799 54.840 0.129 0.000 0.749 1087 L CB -0.718 41.392 42.059 0.086 0.000 0.893 1087 L HN 0.552 nan 8.230 nan 0.000 0.432 1088 K N -0.909 119.555 120.400 0.106 0.000 2.001 1088 K HA -0.186 4.134 4.320 0.000 0.000 0.214 1088 K C 2.092 178.747 176.600 0.092 0.000 1.050 1088 K CA 2.026 58.373 56.287 0.100 0.000 0.934 1088 K CB -0.289 32.256 32.500 0.075 0.000 0.718 1088 K HN 0.411 nan 8.250 nan 0.000 0.443 1089 S N 0.274 116.024 115.700 0.083 0.000 2.351 1089 S HA -0.211 4.259 4.470 0.000 0.000 0.220 1089 S C 1.708 176.357 174.600 0.083 0.000 1.035 1089 S CA 1.676 59.917 58.200 0.068 0.000 1.031 1089 S CB -0.699 62.536 63.200 0.059 0.000 0.928 1089 S HN 0.454 nan 8.310 nan 0.000 0.433 1090 Y N 2.362 122.674 120.300 0.020 0.000 2.102 1090 Y HA -0.248 4.302 4.550 0.000 0.000 0.280 1090 Y C 1.949 177.869 175.900 0.034 0.000 1.178 1090 Y CA 1.577 59.696 58.100 0.032 0.000 1.146 1090 Y CB -0.629 37.857 38.460 0.043 0.000 0.968 1090 Y HN 0.157 nan 8.280 nan 0.000 0.504 1091 L N -0.176 121.053 121.223 0.011 0.000 2.042 1091 L HA -0.280 4.060 4.340 0.000 0.000 0.210 1091 L C 2.700 179.480 176.870 -0.150 0.000 1.076 1091 L CA 1.831 56.616 54.840 -0.091 0.000 0.749 1091 L CB -0.525 41.554 42.059 0.035 0.000 0.893 1091 L HN 0.194 nan 8.230 nan 0.000 0.432 1092 R N -0.426 120.025 120.500 -0.083 0.000 2.115 1092 R HA -0.111 4.229 4.340 0.000 0.000 0.226 1092 R C 2.544 178.782 176.300 -0.105 0.000 1.100 1092 R CA 1.341 57.397 56.100 -0.073 0.000 0.980 1092 R CB -0.270 30.015 30.300 -0.027 0.000 0.875 1092 R HN 0.444 nan 8.270 nan 0.000 0.445 1093 S N 0.686 116.302 115.700 -0.141 0.000 2.469 1093 S HA -0.064 4.406 4.470 0.000 0.000 0.238 1093 S C 1.761 176.259 174.600 -0.170 0.000 0.998 1093 S CA 0.820 58.939 58.200 -0.136 0.000 0.957 1093 S CB -0.204 62.920 63.200 -0.126 0.000 0.764 1093 S HN 0.280 nan 8.310 nan 0.000 0.514 1094 L N 0.451 121.534 121.223 -0.235 0.000 2.554 1094 L HA 0.197 4.537 4.340 0.000 0.000 0.226 1094 L C 1.022 177.817 176.870 -0.125 0.000 1.137 1094 L CA -0.001 54.719 54.840 -0.199 0.000 0.863 1094 L CB -0.258 41.653 42.059 -0.247 0.000 0.985 1094 L HN 0.202 nan 8.230 nan 0.000 0.451 1095 R N 1.240 121.677 120.500 -0.106 0.000 2.539 1095 R HA 0.254 4.594 4.340 0.000 0.000 0.275 1095 R C -1.696 174.567 176.300 -0.062 0.000 1.077 1095 R CA -1.556 54.497 56.100 -0.079 0.000 1.097 1095 R CB -0.372 29.887 30.300 -0.067 0.000 1.018 1095 R HN -0.043 nan 8.270 nan 0.000 0.483 1108 S N -0.623 115.051 115.700 -0.043 0.000 2.655 1108 S HA 0.303 4.773 4.470 0.000 0.000 0.265 1108 S C 1.127 175.704 174.600 -0.037 0.000 1.240 1108 S CA -0.843 57.333 58.200 -0.041 0.000 0.986 1108 S CB 0.466 63.642 63.200 -0.040 0.000 0.985 1108 S HN 0.597 nan 8.310 nan 0.000 0.562 1109 L N 0.629 121.831 121.223 -0.035 0.000 2.083 1109 L HA -0.099 4.241 4.340 0.000 0.000 0.209 1109 L C 2.728 179.578 176.870 -0.034 0.000 1.083 1109 L CA 1.823 56.643 54.840 -0.033 0.000 0.752 1109 L CB -0.762 41.281 42.059 -0.028 0.000 0.899 1109 L HN 0.961 nan 8.230 nan 0.000 0.433 1110 S N -0.517 115.163 115.700 -0.034 0.000 2.355 1110 S HA -0.169 4.301 4.470 0.000 0.000 0.222 1110 S C 1.966 176.543 174.600 -0.038 0.000 1.031 1110 S CA 1.054 59.232 58.200 -0.036 0.000 0.993 1110 S CB 0.021 63.201 63.200 -0.033 0.000 0.859 1110 S HN 0.326 nan 8.310 nan 0.000 0.453 1111 K N 0.848 121.226 120.400 -0.036 0.000 2.044 1111 K HA -0.089 4.231 4.320 0.000 0.000 0.210 1111 K C 2.180 178.770 176.600 -0.017 0.000 1.049 1111 K CA 1.516 57.785 56.287 -0.030 0.000 0.927 1111 K CB -0.651 31.829 32.500 -0.033 0.000 0.713 1111 K HN 0.478 nan 8.250 nan 0.000 0.443 1112 M N 0.350 119.937 119.600 -0.020 0.000 2.086 1112 M HA -0.150 4.330 4.480 0.000 0.000 0.261 1112 M C 2.156 178.440 176.300 -0.026 0.000 1.067 1112 M CA 1.223 56.512 55.300 -0.018 0.000 1.116 1112 M CB -0.300 32.281 32.600 -0.031 0.000 1.348 1112 M HN 0.007 nan 8.290 nan 0.000 0.407 1113 I N 0.341 120.889 120.570 -0.037 0.000 2.264 1113 I HA -0.288 3.882 4.170 0.000 0.000 0.248 1113 I C 2.446 178.518 176.117 -0.075 0.000 1.111 1113 I CA 1.648 62.917 61.300 -0.051 0.000 1.382 1113 I CB -1.208 36.755 38.000 -0.061 0.000 1.060 1113 I HN 0.385 nan 8.210 nan 0.000 0.418 1114 Q N 0.735 120.494 119.800 -0.068 0.000 2.084 1114 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 1114 Q C 2.264 178.229 176.000 -0.059 0.000 0.978 1114 Q CA 1.837 57.591 55.803 -0.082 0.000 0.844 1114 Q CB -0.201 28.516 28.738 -0.036 0.000 0.898 1114 Q HN 0.459 nan 8.270 nan 0.000 0.426 1115 M N -1.023 118.568 119.600 -0.015 0.000 2.175 1115 M HA -0.068 4.412 4.480 0.000 0.000 0.264 1115 M C 2.144 178.462 176.300 0.030 0.000 1.063 1115 M CA 1.339 56.647 55.300 0.013 0.000 1.119 1115 M CB -0.317 32.302 32.600 0.032 0.000 1.377 1115 M HN 0.294 nan 8.290 nan 0.000 0.415 1116 A N 0.635 123.473 122.820 0.031 0.000 1.902 1116 A HA -0.064 4.256 4.320 0.000 0.000 0.217 1116 A C 2.357 180.045 177.584 0.173 0.000 1.181 1116 A CA 1.997 54.114 52.037 0.134 0.000 0.623 1116 A CB -1.511 17.543 19.000 0.090 0.000 0.818 1116 A HN 0.541 nan 8.150 nan 0.000 0.443 1117 G N -0.778 108.008 108.800 -0.024 0.000 2.403 1117 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 1117 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 1117 G C 1.432 176.248 174.900 -0.139 0.000 1.154 1117 G CA 0.879 45.888 45.100 -0.151 0.000 0.784 1117 G HN 0.636 nan 8.290 nan 0.000 0.538 1118 E N -0.024 120.072 120.200 -0.174 0.000 2.072 1118 E HA -0.035 4.316 4.350 0.000 0.000 0.191 1118 E C 2.458 178.966 176.600 -0.154 0.000 0.985 1118 E CA 0.545 56.750 56.400 -0.325 0.000 0.801 1118 E CB -0.107 29.487 29.700 -0.177 0.000 0.750 1118 E HN 0.457 nan 8.360 nan 0.000 0.452 1119 I N 0.864 121.453 120.570 0.031 0.000 2.353 1119 I HA -0.207 3.963 4.170 0.000 0.000 0.248 1119 I C 2.479 178.630 176.117 0.057 0.000 1.119 1119 I CA 0.743 62.116 61.300 0.122 0.000 1.417 1119 I CB -0.225 37.941 38.000 0.276 0.000 1.078 1119 I HN 0.075 nan 8.210 nan 0.000 0.421 1120 A N 0.234 123.087 122.820 0.055 0.000 1.969 1120 A HA -0.264 4.056 4.320 0.000 0.000 0.218 1120 A C 1.938 179.447 177.584 -0.124 0.000 1.169 1120 A CA 2.108 54.034 52.037 -0.185 0.000 0.635 1120 A CB -0.579 18.337 19.000 -0.139 0.000 0.810 1120 A HN 0.416 nan 8.150 nan 0.000 0.445 1121 D N -0.581 119.836 120.400 0.029 0.000 2.097 1121 D HA -0.031 4.609 4.640 0.000 0.000 0.197 1121 D C 2.027 178.421 176.300 0.157 0.000 0.984 1121 D CA 1.623 55.737 54.000 0.190 0.000 0.826 1121 D CB -0.415 40.573 40.800 0.314 0.000 0.973 1121 D HN 0.282 nan 8.370 nan 0.000 0.460 1122 G N -0.100 108.763 108.800 0.106 0.000 2.432 1122 G HA2 -0.214 3.746 3.960 0.000 0.000 0.219 1122 G HA3 -0.214 3.746 3.960 0.000 0.000 0.219 1122 G C 1.504 176.360 174.900 -0.073 0.000 1.135 1122 G CA 0.613 45.762 45.100 0.081 0.000 0.767 1122 G HN 0.189 nan 8.290 nan 0.000 0.550 1123 M N 0.895 120.312 119.600 -0.306 0.000 2.236 1123 M HA 0.173 4.653 4.480 0.000 0.000 0.266 1123 M C 3.002 178.979 176.300 -0.538 0.000 1.070 1123 M CA 1.016 55.934 55.300 -0.636 0.000 1.137 1123 M CB -1.051 30.610 32.600 -1.565 0.000 1.378 1123 M HN 0.305 nan 8.290 nan 0.000 0.426 1124 A N -0.456 122.163 122.820 -0.335 0.000 1.883 1124 A HA -0.239 4.081 4.320 0.000 0.000 0.217 1124 A C 2.143 179.629 177.584 -0.163 0.000 1.186 1124 A CA 1.598 53.652 52.037 0.029 0.000 0.624 1124 A CB -1.232 17.965 19.000 0.328 0.000 0.822 1124 A HN 0.482 nan 8.150 nan 0.000 0.444 1125 Y N 0.330 120.290 120.300 -0.566 0.000 2.097 1125 Y HA -0.224 4.326 4.550 0.000 0.000 0.282 1125 Y C 2.125 177.690 175.900 -0.559 0.000 1.152 1125 Y CA 1.786 59.278 58.100 -1.013 0.000 1.136 1125 Y CB -0.362 37.666 38.460 -0.721 0.000 0.975 1125 Y HN 0.219 nan 8.280 nan 0.000 0.498 1126 L N 0.281 121.271 121.223 -0.389 0.000 1.971 1126 L HA -0.353 3.987 4.340 0.000 0.000 0.215 1126 L C 1.941 178.672 176.870 -0.233 0.000 1.072 1126 L CA 2.540 57.138 54.840 -0.403 0.000 0.758 1126 L CB -0.855 41.068 42.059 -0.228 0.000 0.889 1126 L HN 0.440 nan 8.230 nan 0.000 0.433 1127 N N -0.769 117.859 118.700 -0.121 0.000 2.309 1127 N HA -0.113 4.627 4.740 0.000 0.000 0.182 1127 N C 1.785 177.258 175.510 -0.062 0.000 1.018 1127 N CA 0.813 53.857 53.050 -0.010 0.000 0.876 1127 N CB -0.033 38.532 38.487 0.130 0.000 0.972 1127 N HN 0.347 nan 8.380 nan 0.000 0.434 1128 A N 1.408 124.145 122.820 -0.139 0.000 1.972 1128 A HA -0.072 4.248 4.320 0.000 0.000 0.219 1128 A C 1.567 179.054 177.584 -0.162 0.000 1.169 1128 A CA 1.062 53.032 52.037 -0.110 0.000 0.635 1128 A CB -0.138 18.795 19.000 -0.111 0.000 0.810 1128 A HN 0.286 nan 8.150 nan 0.000 0.446 1129 N N 0.184 118.726 118.700 -0.264 0.000 2.313 1129 N HA 0.019 4.759 4.740 0.000 0.000 0.207 1129 N C -0.636 174.764 175.510 -0.183 0.000 1.141 1129 N CA 0.088 53.032 53.050 -0.176 0.000 0.830 1129 N CB 0.270 38.669 38.487 -0.146 0.000 1.008 1129 N HN 0.141 nan 8.380 nan 0.000 0.481 1130 K N 0.436 120.731 120.400 -0.175 0.000 3.393 1130 K HA -0.167 4.153 4.320 0.000 0.000 0.272 1130 K C -1.181 175.183 176.600 -0.394 0.000 1.004 1130 K CA 0.749 56.897 56.287 -0.233 0.000 0.764 1130 K CB -1.944 30.405 32.500 -0.250 0.000 1.373 1130 K HN 0.166 nan 8.250 nan 0.000 0.458 1131 F N -0.756 119.153 119.950 -0.069 0.000 2.547 1131 F HA 0.363 4.890 4.527 0.000 0.000 0.316 1131 F C 0.448 176.247 175.800 -0.001 0.000 1.121 1131 F CA -0.988 56.990 58.000 -0.037 0.000 0.911 1131 F CB 1.779 40.736 39.000 -0.072 0.000 1.179 1131 F HN -0.195 nan 8.300 nan 0.000 0.443 1132 V N 4.423 124.497 119.914 0.267 0.000 2.383 1132 V HA 0.120 4.240 4.120 0.000 0.000 0.275 1132 V C 1.057 177.302 176.094 0.252 0.000 1.036 1132 V CA -0.364 62.077 62.300 0.236 0.000 0.889 1132 V CB 1.091 33.035 31.823 0.202 0.000 0.985 1132 V HN 0.823 nan 8.190 nan 0.000 0.459 1133 H N 5.125 124.311 119.070 0.194 0.000 2.299 1133 H HA -0.048 4.508 4.556 0.000 0.000 0.302 1133 H C 1.778 177.183 175.328 0.127 0.000 1.078 1133 H CA 2.264 58.419 56.048 0.177 0.000 1.323 1133 H CB 0.365 30.227 29.762 0.166 0.000 1.381 1133 H HN 0.752 nan 8.280 nan 0.000 0.498 1134 R N -1.351 119.378 120.500 0.382 0.000 3.789 1134 R HA -0.183 4.157 4.340 0.000 0.000 0.414 1134 R C 0.051 176.528 176.300 0.295 0.000 0.593 1134 R CA 1.594 57.850 56.100 0.260 0.000 1.562 1134 R CB -1.413 28.814 30.300 -0.121 0.000 2.091 1134 R HN 0.317 nan 8.270 nan 0.000 0.382 1135 D N 0.573 121.207 120.400 0.390 0.000 2.891 1135 D HA 0.160 4.800 4.640 0.000 0.000 0.332 1135 D C -1.007 175.293 176.300 0.000 0.000 1.369 1135 D CA -0.383 53.748 54.000 0.219 0.000 0.827 1135 D CB 0.280 41.193 40.800 0.188 0.000 1.141 1135 D HN 0.023 nan 8.370 nan 0.000 0.464 1136 L N 1.533 122.689 121.223 -0.112 0.000 2.361 1136 L HA 0.613 4.953 4.340 0.000 0.000 0.278 1136 L C -0.533 176.272 176.870 -0.108 0.000 1.113 1136 L CA 0.148 54.786 54.840 -0.336 0.000 0.849 1136 L CB 0.518 42.506 42.059 -0.118 0.000 1.155 1136 L HN 0.153 nan 8.230 nan 0.000 0.452 1137 A N 3.905 126.607 122.820 -0.196 0.000 2.610 1137 A HA 0.717 5.037 4.320 0.000 0.000 0.291 1137 A C 0.494 178.027 177.584 -0.085 0.000 1.086 1137 A CA -0.142 51.765 52.037 -0.216 0.000 0.677 1137 A CB 0.506 19.028 19.000 -0.796 0.000 1.278 1137 A HN 0.999 nan 8.150 nan 0.000 0.414 1138 A N 0.523 123.370 122.820 0.045 0.000 1.972 1138 A HA -0.137 4.183 4.320 0.000 0.000 0.219 1138 A C 1.934 179.521 177.584 0.005 0.000 1.169 1138 A CA 1.999 54.077 52.037 0.068 0.000 0.635 1138 A CB -0.571 18.520 19.000 0.151 0.000 0.810 1138 A HN 1.096 nan 8.150 nan 0.000 0.446 1139 R N -0.823 119.643 120.500 -0.058 0.000 2.285 1139 R HA -0.047 4.293 4.340 0.000 0.000 0.213 1139 R C 0.582 176.833 176.300 -0.082 0.000 1.068 1139 R CA 1.588 57.645 56.100 -0.071 0.000 1.004 1139 R CB -0.349 29.875 30.300 -0.126 0.000 0.873 1139 R HN 0.376 nan 8.270 nan 0.000 0.467 1140 N N -0.104 118.535 118.700 -0.101 0.000 2.282 1140 N HA 0.082 4.822 4.740 0.000 0.000 0.185 1140 N C -0.205 175.255 175.510 -0.083 0.000 1.099 1140 N CA 0.107 53.096 53.050 -0.101 0.000 0.878 1140 N CB 0.410 38.826 38.487 -0.118 0.000 0.993 1140 N HN 0.152 nan 8.380 nan 0.000 0.481 1141 C N 1.188 120.456 119.300 -0.052 0.000 2.362 1141 C HA 0.572 5.032 4.460 0.000 0.000 0.363 1141 C C 0.454 175.431 174.990 -0.021 0.000 1.220 1141 C CA -0.716 58.285 59.018 -0.028 0.000 2.379 1141 C CB 0.774 28.515 27.740 0.001 0.000 2.351 1141 C HN 0.186 nan 8.230 nan 0.000 0.582 1142 M N 1.038 120.625 119.600 -0.021 0.000 2.619 1142 M HA 0.543 5.023 4.480 0.000 0.000 0.297 1142 M C -1.181 175.083 176.300 -0.060 0.000 1.229 1142 M CA -0.509 54.770 55.300 -0.034 0.000 0.860 1142 M CB 1.627 34.208 32.600 -0.031 0.000 1.741 1142 M HN 0.349 nan 8.290 nan 0.000 0.462 1143 V N 1.213 121.062 119.914 -0.108 0.000 2.407 1143 V HA 0.671 4.791 4.120 0.000 0.000 0.291 1143 V C 0.322 176.299 176.094 -0.196 0.000 1.018 1143 V CA -0.986 61.197 62.300 -0.195 0.000 0.842 1143 V CB 1.086 32.669 31.823 -0.399 0.000 0.996 1143 V HN 1.014 nan 8.190 nan 0.000 0.426 1144 A N 2.836 125.559 122.820 -0.161 0.000 2.327 1144 A HA 0.453 4.773 4.320 0.000 0.000 0.255 1144 A C 1.354 178.785 177.584 -0.255 0.000 1.099 1144 A CA 0.142 52.088 52.037 -0.151 0.000 0.801 1144 A CB 0.216 19.163 19.000 -0.089 0.000 1.062 1144 A HN 0.940 nan 8.150 nan 0.000 0.496 1145 E N 0.133 120.209 120.200 -0.206 0.000 2.147 1145 E HA -0.236 4.114 4.350 0.000 0.000 0.199 1145 E C 0.897 177.290 176.600 -0.345 0.000 1.005 1145 E CA 2.197 58.441 56.400 -0.259 0.000 0.810 1145 E CB -0.112 29.511 29.700 -0.127 0.000 0.736 1145 E HN 0.734 nan 8.360 nan 0.000 0.460 1146 D N -1.676 118.629 120.400 -0.159 0.000 2.325 1146 D HA -0.048 4.592 4.640 0.000 0.000 0.225 1146 D C -0.062 176.371 176.300 0.222 0.000 1.096 1146 D CA -0.201 53.824 54.000 0.040 0.000 0.844 1146 D CB -0.546 40.323 40.800 0.116 0.000 0.925 1146 D HN 0.305 nan 8.370 nan 0.000 0.513 1147 F N -1.344 118.580 119.950 -0.044 0.000 2.699 1147 F HA -0.229 4.298 4.527 0.000 0.000 0.343 1147 F C 0.296 176.057 175.800 -0.066 0.000 0.633 1147 F CA 0.644 58.583 58.000 -0.101 0.000 1.365 1147 F CB -2.574 36.389 39.000 -0.060 0.000 1.795 1147 F HN -0.119 nan 8.300 nan 0.000 0.304 1148 T N 2.232 116.851 114.554 0.109 0.000 2.853 1148 T HA 0.461 4.811 4.350 0.000 0.000 0.298 1148 T C 0.581 175.316 174.700 0.057 0.000 0.978 1148 T CA -0.220 61.954 62.100 0.123 0.000 1.152 1148 T CB 1.122 70.079 68.868 0.148 0.000 0.914 1148 T HN 0.072 nan 8.240 nan 0.000 0.539 1149 V N 4.667 124.625 119.914 0.073 0.000 2.743 1149 V HA 0.506 4.626 4.120 0.000 0.000 0.301 1149 V C 0.277 176.422 176.094 0.086 0.000 1.057 1149 V CA -0.578 61.746 62.300 0.040 0.000 1.006 1149 V CB 1.269 33.110 31.823 0.029 0.000 1.024 1149 V HN 0.769 nan 8.190 nan 0.000 0.473 1150 K N 2.456 122.889 120.400 0.054 0.000 2.508 1150 K HA 0.571 4.891 4.320 0.000 0.000 0.260 1150 K C -1.624 175.009 176.600 0.054 0.000 0.949 1150 K CA -0.976 55.358 56.287 0.078 0.000 0.834 1150 K CB 2.299 34.824 32.500 0.042 0.000 1.365 1150 K HN 0.304 nan 8.250 nan 0.000 0.437 1151 I N 1.387 122.008 120.570 0.085 0.000 2.529 1151 I HA 0.168 4.338 4.170 0.000 0.000 0.284 1151 I C 1.218 177.325 176.117 -0.018 0.000 1.082 1151 I CA 0.346 61.673 61.300 0.046 0.000 1.406 1151 I CB 1.031 39.111 38.000 0.133 0.000 1.405 1151 I HN 0.975 nan 8.210 nan 0.000 0.548 1152 G N 3.477 112.149 108.800 -0.213 0.000 2.597 1152 G HA2 0.048 4.008 3.960 0.000 0.000 0.196 1152 G HA3 0.048 4.008 3.960 0.000 0.000 0.196 1152 G C -0.285 174.370 174.900 -0.409 0.000 1.176 1152 G CA 0.114 45.084 45.100 -0.216 0.000 0.747 1152 G HN 0.514 nan 8.290 nan 0.000 0.821 1153 D N -0.327 119.716 120.400 -0.595 0.000 2.620 1153 D HA 0.435 5.075 4.640 0.000 0.000 0.252 1153 D C -0.858 175.078 176.300 -0.605 0.000 1.207 1153 D CA -0.988 52.752 54.000 -0.434 0.000 0.884 1153 D CB 1.028 41.730 40.800 -0.164 0.000 1.262 1153 D HN 0.033 nan 8.370 nan 0.000 0.552 1154 F N 1.666 121.567 119.950 -0.082 0.000 2.708 1154 F HA 0.338 4.865 4.527 0.000 0.000 0.300 1154 F C 2.082 177.800 175.800 -0.136 0.000 1.118 1154 F CA -0.699 57.175 58.000 -0.210 0.000 1.307 1154 F CB 1.136 40.045 39.000 -0.153 0.000 0.986 1154 F HN 0.517 nan 8.300 nan 0.000 0.522 1155 G N 0.119 108.945 108.800 0.044 0.000 2.498 1155 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 1155 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 1155 G C 1.419 176.333 174.900 0.023 0.000 1.119 1155 G CA 0.727 45.862 45.100 0.059 0.000 0.766 1155 G HN 0.282 nan 8.290 nan 0.000 0.552 1156 M N 0.946 120.537 119.600 -0.015 0.000 2.337 1156 M HA 0.227 4.707 4.480 0.000 0.000 0.256 1156 M C 1.349 177.626 176.300 -0.039 0.000 1.075 1156 M CA 0.057 55.338 55.300 -0.032 0.000 1.024 1156 M CB 0.560 33.143 32.600 -0.028 0.000 1.429 1156 M HN 0.111 nan 8.290 nan 0.000 0.497 1157 T N 0.226 114.762 114.554 -0.029 0.000 2.899 1157 T HA 0.542 4.892 4.350 0.000 0.000 0.295 1157 T C 0.101 174.858 174.700 0.096 0.000 1.033 1157 T CA -0.599 61.510 62.100 0.015 0.000 1.084 1157 T CB 1.027 69.889 68.868 -0.009 0.000 0.979 1157 T HN 0.132 nan 8.240 nan 0.000 0.532 1158 R N 1.506 122.123 120.500 0.196 0.000 2.795 1158 R HA 0.438 4.778 4.340 0.000 0.000 0.275 1158 R C -1.092 175.409 176.300 0.336 0.000 0.981 1158 R CA -0.857 55.377 56.100 0.223 0.000 0.917 1158 R CB 1.612 31.967 30.300 0.093 0.000 1.202 1158 R HN 0.848 nan 8.270 nan 0.000 0.469 1159 D N 1.951 122.464 120.400 0.189 0.000 2.345 1159 D HA 0.391 5.031 4.640 0.000 0.000 0.247 1159 D C 0.210 176.422 176.300 -0.146 0.000 1.108 1159 D CA -0.168 53.710 54.000 -0.203 0.000 0.894 1159 D CB 0.680 41.351 40.800 -0.215 0.000 1.203 1159 D HN 0.469 nan 8.370 nan 0.000 0.430 1163 T N -0.163 114.380 114.554 -0.018 0.000 12.845 1163 T HA -0.251 4.099 4.350 0.000 0.000 0.408 1163 T C 0.397 175.090 174.700 -0.011 0.000 1.522 1163 T CA 0.678 62.774 62.100 -0.008 0.000 2.486 1163 T CB -1.559 67.307 68.868 -0.003 0.000 2.712 1163 T HN 0.812 nan 8.240 nan 0.000 0.626 1168 K N 2.017 122.538 120.400 0.201 0.000 2.322 1168 K HA 0.327 4.647 4.320 0.000 0.000 0.283 1168 K C 0.756 177.413 176.600 0.095 0.000 1.042 1168 K CA 0.718 57.089 56.287 0.139 0.000 0.958 1168 K CB 1.265 33.877 32.500 0.187 0.000 0.984 1168 K HN 0.655 nan 8.250 nan 0.000 0.473 1169 G N 2.477 111.316 108.800 0.065 0.000 2.417 1169 G HA2 0.069 4.029 3.960 0.000 0.000 0.212 1169 G HA3 0.069 4.029 3.960 0.000 0.000 0.212 1169 G C 0.628 175.554 174.900 0.043 0.000 1.187 1169 G CA 0.530 45.660 45.100 0.049 0.000 0.804 1169 G HN 0.718 nan 8.290 nan 0.000 0.534 1170 G N -0.500 108.325 108.800 0.041 0.000 3.019 1170 G HA2 0.441 4.401 3.960 0.000 0.000 0.152 1170 G HA3 0.441 4.401 3.960 0.000 0.000 0.152 1170 G C -0.477 174.447 174.900 0.041 0.000 1.320 1170 G CA -0.502 44.620 45.100 0.035 0.000 1.013 1170 G HN 0.074 nan 8.290 nan 0.000 0.593 1171 K N 0.671 121.092 120.400 0.034 0.000 2.368 1171 K HA 0.404 4.724 4.320 0.000 0.000 0.282 1171 K C 0.070 176.694 176.600 0.041 0.000 1.035 1171 K CA 0.032 56.341 56.287 0.037 0.000 0.973 1171 K CB 0.813 33.330 32.500 0.029 0.000 0.957 1171 K HN 0.484 nan 8.250 nan 0.000 0.474 1172 G N 2.437 111.270 108.800 0.055 0.000 2.448 1172 G HA2 0.510 4.470 3.960 0.000 0.000 0.324 1172 G HA3 0.510 4.470 3.960 0.000 0.000 0.324 1172 G C 0.088 175.023 174.900 0.059 0.000 1.203 1172 G CA -0.615 44.520 45.100 0.058 0.000 0.954 1172 G HN 0.536 nan 8.290 nan 0.000 0.480 1173 L N 1.587 122.837 121.223 0.046 0.000 2.910 1173 L HA 0.325 4.665 4.340 0.000 0.000 0.252 1173 L C 0.444 177.349 176.870 0.058 0.000 1.195 1173 L CA -0.174 54.693 54.840 0.045 0.000 1.003 1173 L CB 0.019 42.092 42.059 0.023 0.000 1.328 1173 L HN 0.221 nan 8.230 nan 0.000 0.540 1174 L N 3.393 124.666 121.223 0.082 0.000 2.462 1174 L HA 0.153 4.493 4.340 0.000 0.000 0.272 1174 L C -1.496 175.465 176.870 0.152 0.000 1.166 1174 L CA -1.608 53.299 54.840 0.111 0.000 0.880 1174 L CB 0.269 42.424 42.059 0.159 0.000 1.142 1174 L HN -0.050 nan 8.230 nan 0.000 0.473 1175 P HA -0.088 nan 4.420 nan 0.000 0.260 1175 P C 0.866 178.369 177.300 0.339 0.000 1.172 1175 P CA 0.025 63.270 63.100 0.243 0.000 0.760 1175 P CB 0.662 32.509 31.700 0.245 0.000 0.773 1176 V N 2.546 122.615 119.914 0.259 0.000 2.809 1176 V HA -0.186 3.934 4.120 0.000 0.000 0.256 1176 V C 2.025 178.251 176.094 0.221 0.000 1.080 1176 V CA 0.973 63.389 62.300 0.195 0.000 1.102 1176 V CB -1.130 30.748 31.823 0.092 0.000 0.705 1176 V HN 0.380 nan 8.190 nan 0.000 0.475 1177 R N -0.719 119.967 120.500 0.310 0.000 2.189 1177 R HA -0.025 4.315 4.340 0.000 0.000 0.223 1177 R C 1.846 178.219 176.300 0.122 0.000 1.092 1177 R CA 1.534 57.730 56.100 0.161 0.000 0.989 1177 R CB -0.319 29.957 30.300 -0.040 0.000 0.876 1177 R HN 0.624 nan 8.270 nan 0.000 0.457 1178 W N 0.439 121.904 121.300 0.276 0.000 3.220 1178 W HA 0.290 4.950 4.660 -0.000 0.000 0.328 1178 W C 0.336 177.096 176.519 0.403 0.000 1.205 1178 W CA -0.560 56.990 57.345 0.342 0.000 1.773 1178 W CB 0.230 29.848 29.460 0.264 0.000 1.086 1178 W HN -0.017 nan 8.180 nan 0.000 0.622 1179 M N 1.134 120.989 119.600 0.425 0.000 2.235 1179 M HA 0.061 4.541 4.480 0.000 0.000 0.351 1179 M C 1.112 177.266 176.300 -0.244 0.000 1.178 1179 M CA 0.242 55.643 55.300 0.169 0.000 1.143 1179 M CB 1.255 33.915 32.600 0.099 0.000 1.530 1179 M HN -0.257 nan 8.290 nan 0.000 0.461 1180 S N 2.701 118.042 115.700 -0.599 0.000 2.600 1180 S HA 0.281 4.751 4.470 0.000 0.000 0.265 1180 S C -2.149 171.858 174.600 -0.988 0.000 1.325 1180 S CA -1.170 56.182 58.200 -1.414 0.000 1.002 1180 S CB 0.389 63.071 63.200 -0.864 0.000 0.921 1180 S HN 0.446 nan 8.310 nan 0.000 0.554 1181 P HA -0.175 nan 4.420 nan 0.000 0.215 1181 P C 1.625 178.613 177.300 -0.519 0.000 1.157 1181 P CA 1.495 64.168 63.100 -0.712 0.000 0.868 1181 P CB -0.109 31.067 31.700 -0.873 0.000 0.788 1182 E N -0.537 119.335 120.200 -0.547 0.000 2.274 1182 E HA -0.065 4.285 4.350 0.000 0.000 0.194 1182 E C 1.535 177.919 176.600 -0.361 0.000 0.996 1182 E CA 1.130 57.308 56.400 -0.370 0.000 0.840 1182 E CB -0.883 28.633 29.700 -0.307 0.000 0.772 1182 E HN 0.136 nan 8.360 nan 0.000 0.491 1183 S N 1.009 116.426 115.700 -0.471 0.000 2.395 1183 S HA 0.074 4.544 4.470 0.000 0.000 0.225 1183 S C 2.047 176.428 174.600 -0.365 0.000 1.027 1183 S CA 0.551 58.393 58.200 -0.596 0.000 0.965 1183 S CB -0.141 62.590 63.200 -0.781 0.000 0.812 1183 S HN 0.220 nan 8.310 nan 0.000 0.482 1184 L N 1.074 122.124 121.223 -0.288 0.000 2.217 1184 L HA -0.003 4.337 4.340 0.000 0.000 0.211 1184 L C 2.429 179.220 176.870 -0.132 0.000 1.107 1184 L CA 1.052 55.789 54.840 -0.172 0.000 0.783 1184 L CB -0.246 41.709 42.059 -0.173 0.000 0.919 1184 L HN 0.236 nan 8.230 nan 0.000 0.442 1185 K N -0.169 120.136 120.400 -0.157 0.000 2.186 1185 K HA -0.077 4.243 4.320 0.000 0.000 0.202 1185 K C 0.504 177.056 176.600 -0.079 0.000 1.052 1185 K CA 1.445 57.669 56.287 -0.104 0.000 0.965 1185 K CB 0.351 32.790 32.500 -0.100 0.000 0.746 1185 K HN 0.244 nan 8.250 nan 0.000 0.457 1186 D N -2.450 117.889 120.400 -0.101 0.000 2.453 1186 D HA 0.164 4.804 4.640 0.000 0.000 0.256 1186 D C 0.025 176.297 176.300 -0.048 0.000 1.152 1186 D CA 0.515 54.477 54.000 -0.063 0.000 0.818 1186 D CB 1.600 42.364 40.800 -0.060 0.000 1.259 1186 D HN 0.261 nan 8.370 nan 0.000 0.531 1187 G N 1.118 109.860 108.800 -0.097 0.000 2.149 1187 G HA2 -0.236 3.724 3.960 0.000 0.000 0.235 1187 G HA3 -0.236 3.724 3.960 0.000 0.000 0.235 1187 G C 0.016 174.910 174.900 -0.010 0.000 1.018 1187 G CA 0.096 45.190 45.100 -0.011 0.000 0.728 1187 G HN 0.268 nan 8.290 nan 0.000 0.508 1188 V N 0.437 120.222 119.914 -0.214 0.000 2.394 1188 V HA 0.733 4.853 4.120 0.000 0.000 0.282 1188 V C -0.044 175.863 176.094 -0.312 0.000 1.031 1188 V CA -0.555 61.682 62.300 -0.106 0.000 0.881 1188 V CB 1.063 32.842 31.823 -0.073 0.000 0.982 1188 V HN 0.226 nan 8.190 nan 0.000 0.451 1189 F N 2.979 122.949 119.950 0.033 0.000 2.467 1189 F HA 0.714 5.241 4.527 -0.000 0.000 0.336 1189 F C 0.573 176.398 175.800 0.042 0.000 1.123 1189 F CA -0.415 57.617 58.000 0.052 0.000 0.964 1189 F CB 2.220 41.266 39.000 0.076 0.000 1.136 1189 F HN 0.606 nan 8.300 nan 0.000 0.447 1190 T N -3.118 111.537 114.554 0.168 0.000 2.831 1190 T HA 0.289 4.639 4.350 0.000 0.000 0.287 1190 T C 0.975 175.691 174.700 0.026 0.000 1.070 1190 T CA 0.003 62.121 62.100 0.030 0.000 1.010 1190 T CB 1.292 70.119 68.868 -0.068 0.000 1.264 1190 T HN 0.587 nan 8.240 nan 0.000 0.532 1191 T N -1.318 113.146 114.554 -0.150 0.000 2.881 1191 T HA -0.125 4.225 4.350 0.000 0.000 0.270 1191 T C 1.402 176.114 174.700 0.020 0.000 1.068 1191 T CA 1.136 63.219 62.100 -0.029 0.000 1.131 1191 T CB -0.929 67.890 68.868 -0.083 0.000 0.871 1191 T HN 0.599 nan 8.240 nan 0.000 0.479 1192 Y N 2.930 123.275 120.300 0.075 0.000 2.145 1192 Y HA -0.052 4.498 4.550 0.000 0.000 0.286 1192 Y C 3.265 179.230 175.900 0.108 0.000 1.145 1192 Y CA 0.642 58.767 58.100 0.042 0.000 1.148 1192 Y CB -1.282 37.190 38.460 0.020 0.000 0.981 1192 Y HN 0.489 nan 8.280 nan 0.000 0.507 1193 S N -0.336 115.522 115.700 0.263 0.000 2.399 1193 S HA -0.183 4.287 4.470 0.000 0.000 0.231 1193 S C 1.627 176.451 174.600 0.373 0.000 1.022 1193 S CA 1.470 59.815 58.200 0.242 0.000 0.983 1193 S CB -0.505 62.764 63.200 0.115 0.000 0.803 1193 S HN 0.334 nan 8.310 nan 0.000 0.480 1194 D N 1.364 121.983 120.400 0.364 0.000 2.182 1194 D HA -0.035 4.606 4.640 0.000 0.000 0.201 1194 D C 1.982 178.577 176.300 0.491 0.000 0.986 1194 D CA 0.959 55.235 54.000 0.460 0.000 0.847 1194 D CB -0.400 40.711 40.800 0.518 0.000 0.942 1194 D HN 0.375 nan 8.370 nan 0.000 0.467 1195 V N 0.492 120.560 119.914 0.257 0.000 2.379 1195 V HA -0.168 3.952 4.120 0.000 0.000 0.245 1195 V C 2.149 178.447 176.094 0.341 0.000 1.044 1195 V CA 1.113 63.451 62.300 0.064 0.000 1.036 1195 V CB -0.519 31.190 31.823 -0.190 0.000 0.664 1195 V HN 0.398 nan 8.190 nan 0.000 0.453 1196 W N 1.442 122.879 121.300 0.229 0.000 2.315 1196 W HA -0.271 4.389 4.660 -0.000 0.000 0.323 1196 W C 2.564 179.337 176.519 0.424 0.000 1.233 1196 W CA 2.478 60.025 57.345 0.337 0.000 1.267 1196 W CB -0.719 28.902 29.460 0.269 0.000 1.160 1196 W HN 0.320 nan 8.180 nan 0.000 0.474 1197 S N 0.835 116.968 115.700 0.722 0.000 2.380 1197 S HA -0.287 4.183 4.470 0.000 0.000 0.229 1197 S C 1.548 176.448 174.600 0.500 0.000 1.043 1197 S CA 1.922 60.504 58.200 0.637 0.000 1.038 1197 S CB -1.172 62.374 63.200 0.577 0.000 0.872 1197 S HN 0.388 nan 8.310 nan 0.000 0.456 1198 F N 2.466 122.616 119.950 0.333 0.000 2.161 1198 F HA -0.059 4.468 4.527 0.000 0.000 0.300 1198 F C 2.239 178.123 175.800 0.140 0.000 1.089 1198 F CA 1.316 59.475 58.000 0.265 0.000 1.282 1198 F CB -0.948 38.269 39.000 0.362 0.000 1.010 1198 F HN 0.210 nan 8.300 nan 0.000 0.485 1199 G N -0.176 108.646 108.800 0.036 0.000 2.422 1199 G HA2 -0.205 3.755 3.960 0.000 0.000 0.218 1199 G HA3 -0.205 3.755 3.960 0.000 0.000 0.218 1199 G C 1.667 176.533 174.900 -0.057 0.000 1.146 1199 G CA 1.150 46.038 45.100 -0.353 0.000 0.769 1199 G HN 0.358 nan 8.290 nan 0.000 0.547 1200 V N 0.562 120.611 119.914 0.225 0.000 2.667 1200 V HA -0.104 4.016 4.120 0.000 0.000 0.252 1200 V C 2.877 179.139 176.094 0.281 0.000 1.065 1200 V CA 1.429 63.879 62.300 0.251 0.000 1.083 1200 V CB 0.279 32.110 31.823 0.014 0.000 0.692 1200 V HN 0.340 nan 8.190 nan 0.000 0.468 1201 V N -0.837 119.203 119.914 0.211 0.000 2.719 1201 V HA -0.081 4.039 4.120 0.000 0.000 0.252 1201 V C 2.032 178.123 176.094 -0.004 0.000 1.065 1201 V CA 1.492 63.891 62.300 0.165 0.000 1.086 1201 V CB -0.151 31.752 31.823 0.133 0.000 0.700 1201 V HN 0.461 nan 8.190 nan 0.000 0.467 1202 L N -1.293 119.822 121.223 -0.180 0.000 2.046 1202 L HA -0.124 4.216 4.340 0.000 0.000 0.208 1202 L C 2.366 179.240 176.870 0.006 0.000 1.077 1202 L CA 2.461 57.182 54.840 -0.198 0.000 0.747 1202 L CB -0.615 41.239 42.059 -0.342 0.000 0.896 1202 L HN 0.595 nan 8.230 nan 0.000 0.432 1203 W N 1.401 122.669 121.300 -0.053 0.000 2.338 1203 W HA -0.212 4.448 4.660 -0.000 0.000 0.304 1203 W C 2.438 178.961 176.519 0.006 0.000 1.212 1203 W CA 1.765 59.131 57.345 0.035 0.000 1.264 1203 W CB 0.003 29.548 29.460 0.142 0.000 1.142 1203 W HN 0.107 nan 8.180 nan 0.000 0.512 1204 E N 0.039 120.395 120.200 0.260 0.000 2.038 1204 E HA -0.276 4.074 4.350 0.000 0.000 0.195 1204 E C 2.137 178.714 176.600 -0.038 0.000 1.000 1204 E CA 2.019 58.500 56.400 0.135 0.000 0.803 1204 E CB -0.621 29.251 29.700 0.287 0.000 0.750 1204 E HN 0.338 nan 8.360 nan 0.000 0.448 1205 I N 1.251 121.814 120.570 -0.012 0.000 2.151 1205 I HA -0.315 3.855 4.170 0.000 0.000 0.243 1205 I C 2.612 178.661 176.117 -0.113 0.000 1.080 1205 I CA 1.201 62.479 61.300 -0.037 0.000 1.339 1205 I CB -0.528 37.456 38.000 -0.026 0.000 1.039 1205 I HN 0.095 nan 8.210 nan 0.000 0.409 1206 A N 0.468 123.185 122.820 -0.170 0.000 2.019 1206 A HA -0.193 4.127 4.320 0.000 0.000 0.219 1206 A C 2.179 179.573 177.584 -0.317 0.000 1.164 1206 A CA 2.245 54.149 52.037 -0.223 0.000 0.644 1206 A CB -0.881 17.984 19.000 -0.226 0.000 0.805 1206 A HN 0.578 nan 8.150 nan 0.000 0.449 1207 T N -3.693 110.595 114.554 -0.444 0.000 3.092 1207 T HA 0.452 4.802 4.350 0.000 0.000 0.258 1207 T C 0.416 174.947 174.700 -0.281 0.000 1.031 1207 T CA 0.094 61.908 62.100 -0.476 0.000 0.925 1207 T CB -0.493 67.846 68.868 -0.880 0.000 1.036 1207 T HN 0.577 nan 8.240 nan 0.000 0.544 1208 L N 0.616 121.724 121.223 -0.192 0.000 3.677 1208 L HA -0.250 4.090 4.340 0.000 0.000 0.464 1208 L C 0.857 177.679 176.870 -0.080 0.000 1.278 1208 L CA 0.215 54.985 54.840 -0.117 0.000 0.806 1208 L CB -2.503 39.486 42.059 -0.116 0.000 1.610 1208 L HN 0.841 nan 8.230 nan 0.000 0.867 1209 A N -0.663 122.128 122.820 -0.049 0.000 2.876 1209 A HA -0.182 4.138 4.320 0.000 0.000 0.287 1209 A C 0.722 178.339 177.584 0.055 0.000 1.455 1209 A CA 1.588 53.652 52.037 0.045 0.000 0.744 1209 A CB -1.197 17.840 19.000 0.062 0.000 1.041 1209 A HN 0.679 nan 8.150 nan 0.000 0.500 1210 E N -0.205 119.994 120.200 -0.001 0.000 2.349 1210 E HA 0.310 4.660 4.350 0.000 0.000 0.262 1210 E C 0.531 177.296 176.600 0.273 0.000 1.088 1210 E CA -0.372 56.075 56.400 0.078 0.000 0.899 1210 E CB 0.553 30.242 29.700 -0.018 0.000 1.044 1210 E HN 0.706 nan 8.360 nan 0.000 0.420 1211 Q N 2.420 122.359 119.800 0.231 0.000 2.297 1211 Q HA 0.131 4.471 4.340 0.000 0.000 0.267 1211 Q C -2.340 173.741 176.000 0.135 0.000 1.006 1211 Q CA -1.583 54.346 55.803 0.209 0.000 0.896 1211 Q CB 0.503 29.332 28.738 0.152 0.000 1.186 1211 Q HN 0.030 nan 8.270 nan 0.000 0.392 1212 P HA -0.039 nan 4.420 nan 0.000 0.268 1212 P C -1.347 175.673 177.300 -0.467 0.000 1.204 1212 P CA 0.283 62.921 63.100 -0.770 0.000 0.768 1212 P CB 0.132 31.196 31.700 -1.061 0.000 0.842 1213 Y N -0.425 119.640 120.300 -0.392 0.000 3.929 1213 Y HA -0.273 4.277 4.550 0.000 0.000 0.225 1213 Y C 0.700 176.510 175.900 -0.150 0.000 1.200 1213 Y CA 0.316 58.260 58.100 -0.261 0.000 1.791 1213 Y CB -3.012 35.310 38.460 -0.231 0.000 1.561 1213 Y HN 0.450 nan 8.280 nan 0.000 0.657 1214 Q N 0.389 120.190 119.800 0.001 0.000 2.304 1214 Q HA 0.333 4.673 4.340 0.000 0.000 0.301 1214 Q C 1.448 177.447 176.000 -0.001 0.000 1.063 1214 Q CA 0.731 56.550 55.803 0.026 0.000 0.947 1214 Q CB 0.871 29.640 28.738 0.051 0.000 1.201 1214 Q HN 0.783 nan 8.270 nan 0.000 0.389 1215 G N 1.659 110.457 108.800 -0.004 0.000 2.234 1215 G HA2 -0.231 3.729 3.960 0.000 0.000 0.235 1215 G HA3 -0.231 3.729 3.960 0.000 0.000 0.235 1215 G C -0.065 174.809 174.900 -0.044 0.000 0.997 1215 G CA -0.058 45.027 45.100 -0.026 0.000 0.623 1215 G HN 0.491 nan 8.290 nan 0.000 0.514 1216 L N 1.542 122.741 121.223 -0.040 0.000 2.334 1216 L HA 0.713 5.053 4.340 0.000 0.000 0.272 1216 L C 0.966 177.823 176.870 -0.020 0.000 1.020 1216 L CA -0.395 54.412 54.840 -0.056 0.000 0.812 1216 L CB 1.935 43.933 42.059 -0.102 0.000 1.264 1216 L HN 0.385 nan 8.230 nan 0.000 0.439 1217 S N -0.329 115.357 115.700 -0.024 0.000 2.654 1217 S HA 0.277 4.747 4.470 0.000 0.000 0.283 1217 S C 0.648 175.244 174.600 -0.007 0.000 1.180 1217 S CA -0.815 57.383 58.200 -0.004 0.000 1.021 1217 S CB 1.366 64.564 63.200 -0.004 0.000 1.018 1217 S HN 0.591 nan 8.310 nan 0.000 0.532 1218 N N 1.664 120.371 118.700 0.012 0.000 2.060 1218 N HA -0.207 4.534 4.740 0.000 0.000 0.195 1218 N C 1.477 176.983 175.510 -0.008 0.000 1.028 1218 N CA 1.957 55.015 53.050 0.013 0.000 0.861 1218 N CB -0.689 37.818 38.487 0.034 0.000 1.029 1218 N HN 0.886 nan 8.380 nan 0.000 0.428 1219 E N 0.583 120.781 120.200 -0.004 0.000 2.118 1219 E HA -0.195 4.155 4.350 0.000 0.000 0.195 1219 E C 1.678 178.269 176.600 -0.015 0.000 0.992 1219 E CA 1.056 57.451 56.400 -0.007 0.000 0.804 1219 E CB 0.069 29.767 29.700 -0.003 0.000 0.741 1219 E HN 0.497 nan 8.360 nan 0.000 0.458 1220 Q N -0.468 119.319 119.800 -0.022 0.000 2.137 1220 Q HA -0.068 4.272 4.340 0.000 0.000 0.198 1220 Q C 2.277 178.260 176.000 -0.028 0.000 0.960 1220 Q CA 0.945 56.733 55.803 -0.025 0.000 0.847 1220 Q CB 0.303 29.013 28.738 -0.046 0.000 0.915 1220 Q HN 0.163 nan 8.270 nan 0.000 0.448 1221 V N 1.413 121.281 119.914 -0.077 0.000 2.407 1221 V HA -0.265 3.855 4.120 0.000 0.000 0.248 1221 V C 2.182 178.193 176.094 -0.138 0.000 1.055 1221 V CA 1.367 63.563 62.300 -0.173 0.000 1.049 1221 V CB -0.511 31.166 31.823 -0.243 0.000 0.662 1221 V HN 0.416 nan 8.190 nan 0.000 0.455 1222 L N -0.124 121.049 121.223 -0.084 0.000 1.971 1222 L HA -0.273 4.067 4.340 0.000 0.000 0.215 1222 L C 2.789 179.619 176.870 -0.066 0.000 1.072 1222 L CA 2.443 57.239 54.840 -0.074 0.000 0.758 1222 L CB -0.413 41.622 42.059 -0.041 0.000 0.889 1222 L HN 0.279 nan 8.230 nan 0.000 0.433 1223 R N -1.030 119.454 120.500 -0.026 0.000 2.081 1223 R HA -0.251 4.089 4.340 0.000 0.000 0.235 1223 R C 2.361 178.661 176.300 0.001 0.000 1.131 1223 R CA 1.918 58.012 56.100 -0.011 0.000 0.960 1223 R CB -0.495 29.811 30.300 0.011 0.000 0.856 1223 R HN 0.321 nan 8.270 nan 0.000 0.436 1224 F N 0.585 120.460 119.950 -0.125 0.000 2.095 1224 F HA -0.206 4.321 4.527 0.000 0.000 0.298 1224 F C 1.890 177.620 175.800 -0.117 0.000 1.104 1224 F CA 1.538 59.464 58.000 -0.124 0.000 1.232 1224 F CB -0.469 38.433 39.000 -0.163 0.000 0.987 1224 F HN -0.178 nan 8.300 nan 0.000 0.475 1225 V N 0.358 120.087 119.914 -0.308 0.000 2.379 1225 V HA -0.307 3.813 4.120 0.000 0.000 0.245 1225 V C 2.481 178.453 176.094 -0.204 0.000 1.044 1225 V CA 2.080 64.184 62.300 -0.328 0.000 1.036 1225 V CB -0.487 31.190 31.823 -0.243 0.000 0.664 1225 V HN 0.385 nan 8.190 nan 0.000 0.453 1226 M N -0.674 118.835 119.600 -0.152 0.000 2.267 1226 M HA -0.156 4.324 4.480 0.000 0.000 0.263 1226 M C 1.917 178.228 176.300 0.020 0.000 1.063 1226 M CA 1.518 56.783 55.300 -0.058 0.000 1.090 1226 M CB -0.199 32.360 32.600 -0.068 0.000 1.392 1226 M HN 0.357 nan 8.290 nan 0.000 0.422 1227 E N -1.150 118.999 120.200 -0.086 0.000 2.442 1227 E HA 0.098 4.448 4.350 0.000 0.000 0.195 1227 E C 1.333 177.828 176.600 -0.175 0.000 1.030 1227 E CA 0.871 57.199 56.400 -0.120 0.000 0.869 1227 E CB 0.562 30.197 29.700 -0.108 0.000 0.857 1227 E HN 0.634 nan 8.360 nan 0.000 0.505 1228 G N 1.181 109.891 108.800 -0.149 0.000 2.205 1228 G HA2 -0.177 3.783 3.960 0.000 0.000 0.180 1228 G HA3 -0.177 3.783 3.960 0.000 0.000 0.180 1228 G C 0.625 175.393 174.900 -0.220 0.000 1.004 1228 G CA -0.329 44.711 45.100 -0.101 0.000 0.670 1228 G HN 0.440 nan 8.290 nan 0.000 0.496 1229 G N -0.104 108.322 108.800 -0.623 0.000 2.559 1229 G HA2 0.509 4.469 3.960 0.000 0.000 0.235 1229 G HA3 0.509 4.469 3.960 0.000 0.000 0.235 1229 G C 0.205 174.806 174.900 -0.499 0.000 1.266 1229 G CA 0.232 44.674 45.100 -1.096 0.000 0.847 1229 G HN 0.690 nan 8.290 nan 0.000 0.583 1230 L N 0.026 121.181 121.223 -0.114 0.000 2.257 1230 L HA 0.476 4.816 4.340 0.000 0.000 0.257 1230 L C 0.042 176.941 176.870 0.049 0.000 1.033 1230 L CA -1.086 53.705 54.840 -0.082 0.000 0.835 1230 L CB 1.793 43.838 42.059 -0.024 0.000 1.398 1230 L HN 0.296 nan 8.230 nan 0.000 0.429 1231 L N 0.869 121.853 121.223 -0.399 0.000 2.397 1231 L HA 0.180 4.520 4.340 0.000 0.000 0.271 1231 L C -0.293 176.583 176.870 0.010 0.000 1.148 1231 L CA -0.424 54.146 54.840 -0.450 0.000 0.825 1231 L CB 0.372 41.710 42.059 -1.202 0.000 1.117 1231 L HN 0.442 nan 8.230 nan 0.000 0.456 1232 D N 2.308 122.749 120.400 0.069 0.000 2.341 1232 D HA 0.045 4.685 4.640 0.000 0.000 0.245 1232 D C 0.079 176.433 176.300 0.090 0.000 1.106 1232 D CA -0.310 53.761 54.000 0.118 0.000 0.905 1232 D CB 0.966 41.803 40.800 0.061 0.000 1.202 1232 D HN 0.324 nan 8.370 nan 0.000 0.426 1233 K N 2.058 122.258 120.400 -0.333 0.000 2.491 1233 K HA 0.049 4.369 4.320 0.000 0.000 0.279 1233 K C -2.308 174.121 176.600 -0.285 0.000 1.026 1233 K CA -0.898 54.894 56.287 -0.825 0.000 1.070 1233 K CB 0.164 31.910 32.500 -1.257 0.000 0.887 1233 K HN 0.045 nan 8.250 nan 0.000 0.481 1234 P HA -0.047 nan 4.420 nan 0.000 0.265 1234 P C -1.011 176.169 177.300 -0.200 0.000 1.193 1234 P CA -0.092 62.869 63.100 -0.231 0.000 0.765 1234 P CB 0.495 31.978 31.700 -0.363 0.000 0.823 1235 D N 2.685 122.992 120.400 -0.156 0.000 2.458 1235 D HA -0.012 4.628 4.640 0.000 0.000 0.243 1235 D C 0.570 176.796 176.300 -0.124 0.000 1.146 1235 D CA 0.800 54.725 54.000 -0.124 0.000 0.877 1235 D CB -0.400 40.343 40.800 -0.095 0.000 1.176 1235 D HN 0.420 nan 8.370 nan 0.000 0.461 1236 N N 0.634 119.272 118.700 -0.103 0.000 2.984 1236 N HA -0.228 4.512 4.740 0.000 0.000 0.227 1236 N C -0.403 175.052 175.510 -0.092 0.000 0.903 1236 N CA 0.469 53.466 53.050 -0.088 0.000 0.995 1236 N CB -1.303 37.133 38.487 -0.085 0.000 1.065 1236 N HN 0.447 nan 8.380 nan 0.000 0.585 1237 C N 2.170 121.402 119.300 -0.113 0.000 2.648 1237 C HA 0.276 4.736 4.460 0.000 0.000 0.419 1237 C C -1.842 173.118 174.990 -0.048 0.000 1.352 1237 C CA -1.223 57.738 59.018 -0.095 0.000 1.816 1237 C CB -0.226 27.440 27.740 -0.122 0.000 2.598 1237 C HN 0.153 nan 8.230 nan 0.000 0.598 1238 P HA 0.159 nan 4.420 nan 0.000 0.271 1238 P C 0.286 177.607 177.300 0.035 0.000 1.220 1238 P CA 0.269 63.367 63.100 -0.004 0.000 0.768 1238 P CB 0.527 32.221 31.700 -0.011 0.000 0.848 1239 D N 2.093 122.518 120.400 0.041 0.000 2.170 1239 D HA -0.232 4.408 4.640 0.000 0.000 0.193 1239 D C 1.670 178.025 176.300 0.091 0.000 1.004 1239 D CA 1.427 55.477 54.000 0.084 0.000 0.860 1239 D CB -0.453 40.382 40.800 0.058 0.000 0.931 1239 D HN 0.404 nan 8.370 nan 0.000 0.448 1240 M N -0.106 119.520 119.600 0.043 0.000 2.065 1240 M HA -0.194 4.286 4.480 0.000 0.000 0.259 1240 M C 2.019 178.326 176.300 0.012 0.000 1.071 1240 M CA 1.343 56.654 55.300 0.018 0.000 1.109 1240 M CB -0.320 32.280 32.600 0.001 0.000 1.313 1240 M HN 0.097 nan 8.290 nan 0.000 0.408 1241 L N 0.562 121.797 121.223 0.020 0.000 2.081 1241 L HA -0.213 4.127 4.340 0.000 0.000 0.212 1241 L C 2.203 179.088 176.870 0.025 0.000 1.080 1241 L CA 1.832 56.674 54.840 0.002 0.000 0.754 1241 L CB -1.201 40.857 42.059 -0.003 0.000 0.893 1241 L HN 0.437 nan 8.230 nan 0.000 0.433 1242 F N 0.022 119.932 119.950 -0.066 0.000 2.206 1242 F HA -0.130 4.397 4.527 0.000 0.000 0.298 1242 F C 2.309 178.057 175.800 -0.086 0.000 1.090 1242 F CA 1.298 59.265 58.000 -0.054 0.000 1.323 1242 F CB -0.159 38.846 39.000 0.010 0.000 1.028 1242 F HN 0.096 nan 8.300 nan 0.000 0.492 1243 E N 0.661 120.763 120.200 -0.165 0.000 2.077 1243 E HA -0.170 4.180 4.350 0.000 0.000 0.193 1243 E C 2.482 178.911 176.600 -0.286 0.000 0.989 1243 E CA 0.992 57.242 56.400 -0.250 0.000 0.800 1243 E CB -0.713 28.931 29.700 -0.095 0.000 0.746 1243 E HN 0.419 nan 8.360 nan 0.000 0.452 1244 L N -0.287 120.807 121.223 -0.215 0.000 2.013 1244 L HA -0.281 4.059 4.340 0.000 0.000 0.212 1244 L C 2.360 178.996 176.870 -0.388 0.000 1.073 1244 L CA 1.534 56.247 54.840 -0.212 0.000 0.753 1244 L CB -0.314 41.673 42.059 -0.120 0.000 0.890 1244 L HN 0.303 nan 8.230 nan 0.000 0.432 1245 M N -1.209 118.043 119.600 -0.581 0.000 2.080 1245 M HA -0.262 4.218 4.480 0.000 0.000 0.260 1245 M C 2.307 177.860 176.300 -1.244 0.000 1.068 1245 M CA 1.791 56.394 55.300 -1.162 0.000 1.109 1245 M CB -0.467 31.357 32.600 -1.292 0.000 1.342 1245 M HN 0.142 nan 8.290 nan 0.000 0.405 1246 R N -0.072 119.958 120.500 -0.784 0.000 2.127 1246 R HA -0.116 4.224 4.340 0.000 0.000 0.238 1246 R C 2.110 178.272 176.300 -0.231 0.000 1.134 1246 R CA 1.467 57.337 56.100 -0.383 0.000 0.975 1246 R CB -0.367 29.697 30.300 -0.393 0.000 0.865 1246 R HN 0.466 nan 8.270 nan 0.000 0.447 1247 M N -0.545 118.888 119.600 -0.278 0.000 2.156 1247 M HA -0.147 4.333 4.480 0.000 0.000 0.264 1247 M C 2.371 178.579 176.300 -0.153 0.000 1.067 1247 M CA 1.229 56.431 55.300 -0.163 0.000 1.131 1247 M CB -0.243 32.270 32.600 -0.143 0.000 1.368 1247 M HN 0.206 nan 8.290 nan 0.000 0.416 1248 C N -0.641 118.478 119.300 -0.302 0.000 2.422 1248 C HA -0.127 4.333 4.460 0.000 0.000 0.286 1248 C C 1.699 176.643 174.990 -0.076 0.000 1.412 1248 C CA 0.243 59.116 59.018 -0.242 0.000 1.786 1248 C CB -1.218 26.308 27.740 -0.357 0.000 1.835 1248 C HN 0.661 nan 8.230 nan 0.000 0.533 1249 W N -0.144 121.068 121.300 -0.146 0.000 3.239 1249 W HA 0.336 4.996 4.660 0.000 0.000 0.368 1249 W C 0.828 177.440 176.519 0.155 0.000 1.154 1249 W CA -0.697 56.534 57.345 -0.190 0.000 1.860 1249 W CB -1.079 28.084 29.460 -0.496 0.000 1.094 1249 W HN 0.242 nan 8.180 nan 0.000 0.643 1250 Q N 0.435 120.401 119.800 0.277 0.000 2.308 1250 Q HA -0.173 4.167 4.340 0.000 0.000 0.313 1250 Q C 1.092 177.259 176.000 0.279 0.000 1.075 1250 Q CA 0.555 56.489 55.803 0.218 0.000 0.995 1250 Q CB 0.136 28.934 28.738 0.100 0.000 1.107 1250 Q HN 0.342 nan 8.270 nan 0.000 0.380 1251 Y N 3.601 123.993 120.300 0.152 0.000 2.128 1251 Y HA -0.225 4.325 4.550 0.000 0.000 0.284 1251 Y C 0.753 176.663 175.900 0.017 0.000 1.154 1251 Y CA 1.791 59.944 58.100 0.089 0.000 1.149 1251 Y CB 0.153 38.630 38.460 0.029 0.000 0.976 1251 Y HN 0.735 nan 8.280 nan 0.000 0.505 1252 N N 1.316 120.119 118.700 0.172 0.000 2.431 1252 N HA 0.044 4.784 4.740 0.000 0.000 0.265 1252 N C -2.172 173.292 175.510 -0.077 0.000 1.184 1252 N CA -1.921 51.150 53.050 0.035 0.000 0.943 1252 N CB 1.130 39.638 38.487 0.036 0.000 1.080 1252 N HN 0.021 nan 8.380 nan 0.000 0.477 1253 P HA -0.163 nan 4.420 nan 0.000 0.217 1253 P C 0.464 177.444 177.300 -0.534 0.000 1.148 1253 P CA 1.557 64.516 63.100 -0.234 0.000 0.828 1253 P CB 0.228 31.829 31.700 -0.165 0.000 0.783 1254 K N -1.361 118.739 120.400 -0.501 0.000 2.366 1254 K HA 0.095 4.415 4.320 0.000 0.000 0.198 1254 K C 1.432 177.862 176.600 -0.282 0.000 1.044 1254 K CA 0.760 56.716 56.287 -0.553 0.000 0.973 1254 K CB -0.215 32.083 32.500 -0.337 0.000 0.767 1254 K HN 0.190 nan 8.250 nan 0.000 0.475 1255 M N 0.995 120.492 119.600 -0.172 0.000 2.563 1255 M HA 0.069 4.549 4.480 0.000 0.000 0.231 1255 M C 0.154 176.415 176.300 -0.065 0.000 1.136 1255 M CA 0.412 55.661 55.300 -0.085 0.000 1.026 1255 M CB -0.292 32.287 32.600 -0.034 0.000 1.597 1255 M HN -0.029 nan 8.290 nan 0.000 0.495 1256 R N 1.447 121.892 120.500 -0.091 0.000 2.457 1256 R HA 0.352 4.692 4.340 0.000 0.000 0.284 1256 R C -2.055 174.215 176.300 -0.050 0.000 1.024 1256 R CA -1.386 54.687 56.100 -0.044 0.000 1.025 1256 R CB 0.324 30.627 30.300 0.006 0.000 1.063 1256 R HN 0.035 nan 8.270 nan 0.000 0.493 1257 P HA 0.014 nan 4.420 nan 0.000 0.274 1257 P C -0.573 176.667 177.300 -0.100 0.000 1.237 1257 P CA -0.380 62.681 63.100 -0.065 0.000 0.793 1257 P CB 1.069 32.724 31.700 -0.077 0.000 0.977 1258 S N 0.303 115.967 115.700 -0.060 0.000 2.645 1258 S HA 0.218 4.688 4.470 0.000 0.000 0.266 1258 S C 1.040 175.554 174.600 -0.144 0.000 1.258 1258 S CA -0.313 57.839 58.200 -0.080 0.000 0.990 1258 S CB -0.067 63.163 63.200 0.050 0.000 0.967 1258 S HN 0.231 nan 8.310 nan 0.000 0.556 1259 F N 0.301 120.241 119.950 -0.017 0.000 2.146 1259 F HA 0.093 4.620 4.527 0.000 0.000 0.298 1259 F C 2.142 177.931 175.800 -0.018 0.000 1.096 1259 F CA 0.877 58.817 58.000 -0.100 0.000 1.275 1259 F CB -0.767 38.177 39.000 -0.094 0.000 1.008 1259 F HN 0.444 nan 8.300 nan 0.000 0.480 1260 L N -0.206 121.175 121.223 0.264 0.000 2.012 1260 L HA -0.255 4.085 4.340 0.000 0.000 0.210 1260 L C 2.379 179.356 176.870 0.179 0.000 1.073 1260 L CA 1.635 56.642 54.840 0.279 0.000 0.748 1260 L CB -0.677 41.548 42.059 0.278 0.000 0.891 1260 L HN 0.185 nan 8.230 nan 0.000 0.431 1261 E N 0.134 120.397 120.200 0.104 0.000 2.058 1261 E HA -0.233 4.117 4.350 0.000 0.000 0.194 1261 E C 2.258 178.858 176.600 0.001 0.000 0.997 1261 E CA 1.345 57.776 56.400 0.052 0.000 0.801 1261 E CB -0.101 29.614 29.700 0.025 0.000 0.746 1261 E HN 0.448 nan 8.360 nan 0.000 0.450 1262 I N 1.105 121.660 120.570 -0.024 0.000 2.091 1262 I HA -0.342 3.828 4.170 0.000 0.000 0.239 1262 I C 2.506 178.579 176.117 -0.072 0.000 1.061 1262 I CA 1.420 62.694 61.300 -0.043 0.000 1.317 1262 I CB -0.589 37.369 38.000 -0.069 0.000 1.031 1262 I HN 0.148 nan 8.210 nan 0.000 0.401 1263 I N 0.327 120.831 120.570 -0.110 0.000 2.194 1263 I HA -0.339 3.831 4.170 0.000 0.000 0.246 1263 I C 2.841 178.733 176.117 -0.374 0.000 1.093 1263 I CA 1.667 62.807 61.300 -0.266 0.000 1.355 1263 I CB -0.477 37.291 38.000 -0.386 0.000 1.046 1263 I HN 0.268 nan 8.210 nan 0.000 0.413 1264 S N 0.619 116.141 115.700 -0.297 0.000 2.382 1264 S HA -0.203 4.267 4.470 0.000 0.000 0.228 1264 S C 2.272 176.833 174.600 -0.066 0.000 1.027 1264 S CA 1.889 60.004 58.200 -0.142 0.000 0.991 1264 S CB -0.384 62.866 63.200 0.083 0.000 0.823 1264 S HN 0.628 nan 8.310 nan 0.000 0.469 1265 S N 1.535 117.201 115.700 -0.056 0.000 2.419 1265 S HA -0.049 4.421 4.470 0.000 0.000 0.233 1265 S C 1.666 176.240 174.600 -0.044 0.000 1.016 1265 S CA 1.105 59.285 58.200 -0.033 0.000 0.974 1265 S CB -0.790 62.393 63.200 -0.028 0.000 0.786 1265 S HN 0.855 nan 8.310 nan 0.000 0.492 1266 I N -1.554 118.968 120.570 -0.080 0.000 4.154 1266 I HA 0.380 4.550 4.170 0.000 0.000 0.334 1266 I C 1.776 177.825 176.117 -0.114 0.000 1.371 1266 I CA -0.331 60.918 61.300 -0.085 0.000 1.110 1266 I CB 0.024 37.970 38.000 -0.090 0.000 1.085 1266 I HN 0.152 nan 8.210 nan 0.000 0.398 1267 K N 1.731 122.056 120.400 -0.125 0.000 2.089 1267 K HA -0.242 4.078 4.320 0.000 0.000 0.210 1267 K C 1.496 178.108 176.600 0.021 0.000 1.048 1267 K CA 2.183 58.419 56.287 -0.085 0.000 0.926 1267 K CB -0.291 32.177 32.500 -0.054 0.000 0.714 1267 K HN 0.205 nan 8.250 nan 0.000 0.448 1268 E N 0.885 121.108 120.200 0.038 0.000 2.209 1268 E HA -0.153 4.197 4.350 0.000 0.000 0.196 1268 E C 1.419 178.031 176.600 0.020 0.000 0.993 1268 E CA 1.320 57.752 56.400 0.054 0.000 0.819 1268 E CB -0.014 29.712 29.700 0.044 0.000 0.745 1268 E HN 0.469 nan 8.360 nan 0.000 0.477 1269 E N -1.076 119.111 120.200 -0.023 0.000 2.447 1269 E HA 0.077 4.427 4.350 0.000 0.000 0.195 1269 E C 0.048 176.609 176.600 -0.066 0.000 1.028 1269 E CA -0.013 56.364 56.400 -0.038 0.000 0.876 1269 E CB 0.192 29.864 29.700 -0.047 0.000 0.885 1269 E HN 0.142 nan 8.360 nan 0.000 0.500 1270 M N 1.433 120.964 119.600 -0.115 0.000 2.245 1270 M HA 0.087 4.567 4.480 0.000 0.000 0.330 1270 M C 0.529 176.808 176.300 -0.035 0.000 1.098 1270 M CA 0.355 55.548 55.300 -0.179 0.000 1.172 1270 M CB 0.155 32.460 32.600 -0.491 0.000 1.467 1270 M HN -0.001 nan 8.290 nan 0.000 0.454 1271 E N 2.184 122.381 120.200 -0.006 0.000 2.425 1271 E HA 0.013 4.363 4.350 0.000 0.000 0.258 1271 E C -1.588 175.082 176.600 0.117 0.000 1.151 1271 E CA -1.373 55.060 56.400 0.054 0.000 0.958 1271 E CB -0.193 29.543 29.700 0.060 0.000 0.968 1271 E HN 0.406 nan 8.360 nan 0.000 0.451 1272 P HA -0.200 nan 4.420 nan 0.000 0.216 1272 P C 1.402 178.783 177.300 0.135 0.000 1.157 1272 P CA 1.688 64.849 63.100 0.101 0.000 0.880 1272 P CB -0.100 31.638 31.700 0.063 0.000 0.791 1273 G N -1.080 107.804 108.800 0.140 0.000 2.503 1273 G HA2 -0.329 3.631 3.960 0.000 0.000 0.221 1273 G HA3 -0.329 3.631 3.960 0.000 0.000 0.221 1273 G C 1.379 176.388 174.900 0.182 0.000 1.131 1273 G CA 0.476 45.653 45.100 0.128 0.000 0.756 1273 G HN 0.142 nan 8.290 nan 0.000 0.572 1274 F N 1.529 121.550 119.950 0.117 0.000 2.085 1274 F HA -0.239 4.288 4.527 0.000 0.000 0.299 1274 F C 2.693 178.646 175.800 0.256 0.000 1.096 1274 F CA 2.179 60.300 58.000 0.200 0.000 1.227 1274 F CB -0.343 38.788 39.000 0.218 0.000 0.983 1274 F HN 0.154 nan 8.300 nan 0.000 0.482 1275 R N 0.423 121.068 120.500 0.241 0.000 2.117 1275 R HA -0.233 4.107 4.340 0.000 0.000 0.243 1275 R C 2.137 178.422 176.300 -0.024 0.000 1.143 1275 R CA 2.011 58.140 56.100 0.048 0.000 0.968 1275 R CB -0.435 29.704 30.300 -0.268 0.000 0.863 1275 R HN 0.654 nan 8.270 nan 0.000 0.444 1276 E N -0.494 119.680 120.200 -0.043 0.000 2.447 1276 E HA -0.052 4.298 4.350 0.000 0.000 0.195 1276 E C 1.387 177.914 176.600 -0.122 0.000 1.028 1276 E CA 0.795 57.151 56.400 -0.074 0.000 0.876 1276 E CB 0.549 30.209 29.700 -0.066 0.000 0.885 1276 E HN 0.344 nan 8.360 nan 0.000 0.500 1277 V N -1.410 118.395 119.914 -0.181 0.000 3.612 1277 V HA 0.187 4.307 4.120 0.000 0.000 0.268 1277 V C 1.043 176.995 176.094 -0.237 0.000 1.365 1277 V CA 0.047 62.146 62.300 -0.335 0.000 1.044 1277 V CB 0.195 31.539 31.823 -0.797 0.000 0.820 1277 V HN 0.238 nan 8.190 nan 0.000 0.444 1278 S N 0.146 115.709 115.700 -0.227 0.000 2.593 1278 S HA 0.272 4.742 4.470 0.000 0.000 0.269 1278 S C 0.733 175.328 174.600 -0.008 0.000 1.334 1278 S CA 0.257 58.331 58.200 -0.210 0.000 1.015 1278 S CB 0.811 63.389 63.200 -1.037 0.000 0.912 1278 S HN 0.492 nan 8.310 nan 0.000 0.541 1279 F N 2.523 122.477 119.950 0.006 0.000 2.163 1279 F HA 0.011 4.538 4.527 0.000 0.000 0.297 1279 F C 1.932 177.769 175.800 0.062 0.000 1.094 1279 F CA 1.283 59.322 58.000 0.065 0.000 1.290 1279 F CB -0.918 38.184 39.000 0.169 0.000 1.017 1279 F HN 0.854 nan 8.300 nan 0.000 0.483 1280 Y N 0.025 120.188 120.300 -0.228 0.000 2.096 1280 Y HA -0.363 4.187 4.550 0.000 0.000 0.278 1280 Y C 1.472 177.117 175.900 -0.426 0.000 1.192 1280 Y CA 2.372 60.243 58.100 -0.382 0.000 1.143 1280 Y CB -0.822 37.450 38.460 -0.312 0.000 0.963 1280 Y HN 0.179 nan 8.280 nan 0.000 0.505 1281 Y N 0.417 120.622 120.300 -0.157 0.000 2.537 1281 Y HA 0.142 4.692 4.550 0.000 0.000 0.303 1281 Y C 0.732 176.514 175.900 -0.196 0.000 1.176 1281 Y CA -0.469 57.523 58.100 -0.180 0.000 1.273 1281 Y CB -0.070 38.343 38.460 -0.079 0.000 1.110 1281 Y HN 0.016 nan 8.280 nan 0.000 0.518 1282 S N -1.461 114.154 115.700 -0.142 0.000 2.651 1282 S HA 0.198 4.668 4.470 0.000 0.000 0.291 1282 S C 0.969 175.490 174.600 -0.132 0.000 1.141 1282 S CA -0.897 57.240 58.200 -0.104 0.000 1.027 1282 S CB 1.613 64.778 63.200 -0.057 0.000 1.043 1282 S HN 0.190 nan 8.310 nan 0.000 0.530 1283 E N 1.817 121.984 120.200 -0.056 0.000 2.070 1283 E HA -0.212 4.138 4.350 0.000 0.000 0.197 1283 E C 1.722 178.297 176.600 -0.042 0.000 1.004 1283 E CA 1.768 58.142 56.400 -0.042 0.000 0.805 1283 E CB -0.651 29.045 29.700 -0.006 0.000 0.744 1283 E HN 0.859 nan 8.360 nan 0.000 0.451 1284 E N 0.950 121.158 120.200 0.014 0.000 2.169 1284 E HA -0.187 4.163 4.350 0.000 0.000 0.202 1284 E C 1.220 177.824 176.600 0.007 0.000 1.016 1284 E CA 0.726 57.190 56.400 0.106 0.000 0.817 1284 E CB -0.198 29.718 29.700 0.360 0.000 0.736 1284 E HN 0.088 nan 8.360 nan 0.000 0.462 1285 N N 0.000 118.540 118.700 -0.267 0.000 1.763 1285 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1285 N CA 0.000 52.819 53.050 -0.385 0.000 0.885 1285 N CB 0.000 37.991 38.487 -0.827 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667