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 3lvp_1_D DATA FIRST_RESID 986 DATA SEQUENCE VYVPDEWEVA REKITMSREL GQGSFGMVYE GVAKGVVKDE PETRVAIKTV DATA SEQUENCE XXXXXXXXXX EFLNEASVMK EFNCHHVVRL LGVVSQGQPT LVIMELMTRG DATA SEQUENCE DLKSYLRSLR PEXXXXXVLA PPSLSKMIQM AGEIADGMAY LNANKFVHRD DATA SEQUENCE LAARNCMVAE DFTVKIGDFG MTRDIYETDY YRKGGXXXLP VRWMSPESLK DATA SEQUENCE DGVFTTYSDV WSFGVVLWEI ATLAEQPYQG LSNEQVLRFV MEGGLLDKPD DATA SEQUENCE NCPDMLFELM RMCWQYNPKM RPSFLEIISS IKEEMEPGFR EVSFYYSEEN 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 986 V HA 0.000 nan 4.120 nan 0.000 0.244 986 V C 0.000 176.108 176.094 0.023 0.000 1.182 986 V CA 0.000 62.307 62.300 0.012 0.000 1.235 986 V CB 0.000 31.828 31.823 0.007 0.000 1.184 987 Y N 4.574 124.830 120.300 -0.074 0.000 2.359 987 Y HA 0.673 5.224 4.550 0.001 0.000 0.330 987 Y C -0.308 175.563 175.900 -0.048 0.000 1.143 987 Y CA -0.004 58.047 58.100 -0.082 0.000 1.318 987 Y CB 1.398 39.802 38.460 -0.094 0.000 1.234 987 Y HN 0.463 nan 8.280 nan 0.000 0.522 988 V N 8.398 127.797 119.914 -0.857 0.000 2.509 988 V HA 0.273 4.393 4.120 0.001 0.000 0.289 988 V C -2.407 173.212 176.094 -0.792 0.000 1.026 988 V CA -2.016 59.895 62.300 -0.648 0.000 0.872 988 V CB 1.477 33.125 31.823 -0.292 0.000 1.017 988 V HN 0.737 nan 8.190 nan 0.000 0.436 989 P HA 0.085 nan 4.420 nan 0.000 0.256 989 P C -0.811 176.398 177.300 -0.151 0.000 1.173 989 P CA 0.710 63.619 63.100 -0.318 0.000 0.768 989 P CB 0.455 32.085 31.700 -0.117 0.000 0.758 990 D N 1.539 121.913 120.400 -0.043 0.000 4.040 990 D HA 0.080 4.720 4.640 0.001 0.000 0.290 990 D C 0.854 177.166 176.300 0.020 0.000 1.566 990 D CA -0.263 53.734 54.000 -0.005 0.000 0.985 990 D CB -0.238 40.570 40.800 0.013 0.000 1.379 990 D HN 0.110 nan 8.370 nan 0.000 0.655 991 E N -0.147 120.039 120.200 -0.023 0.000 2.051 991 E HA -0.059 4.291 4.350 0.001 0.000 0.192 991 E C 1.455 177.974 176.600 -0.136 0.000 0.991 991 E CA 1.293 57.606 56.400 -0.145 0.000 0.799 991 E CB -0.446 29.066 29.700 -0.313 0.000 0.748 991 E HN 0.414 nan 8.360 nan 0.000 0.449 992 W N 1.631 122.931 121.300 -0.001 0.000 2.662 992 W HA -0.036 4.625 4.660 0.000 0.000 0.249 992 W C 0.560 177.103 176.519 0.040 0.000 1.251 992 W CA 0.035 57.389 57.345 0.016 0.000 1.277 992 W CB -0.268 29.209 29.460 0.028 0.000 1.140 992 W HN -0.038 nan 8.180 nan 0.000 0.645 993 E N 1.040 121.355 120.200 0.193 0.000 2.152 993 E HA 0.295 4.646 4.350 0.001 0.000 0.285 993 E C -0.785 175.866 176.600 0.085 0.000 1.043 993 E CA -0.420 56.072 56.400 0.154 0.000 0.839 993 E CB 0.935 30.709 29.700 0.124 0.000 1.069 993 E HN -0.122 nan 8.360 nan 0.000 0.399 994 V N 3.887 123.852 119.914 0.084 0.000 2.715 994 V HA 0.799 4.920 4.120 0.001 0.000 0.310 994 V C -0.319 175.801 176.094 0.044 0.000 1.054 994 V CA -0.383 61.948 62.300 0.051 0.000 0.928 994 V CB 1.692 33.546 31.823 0.051 0.000 1.007 994 V HN 0.924 nan 8.190 nan 0.000 0.437 995 A N 5.586 128.423 122.820 0.029 0.000 2.466 995 A HA 0.323 4.644 4.320 0.001 0.000 0.238 995 A C 1.177 178.776 177.584 0.024 0.000 1.074 995 A CA 0.445 52.497 52.037 0.024 0.000 0.774 995 A CB 0.091 19.100 19.000 0.014 0.000 1.015 995 A HN 1.060 nan 8.150 nan 0.000 0.498 996 R N 0.744 121.257 120.500 0.022 0.000 2.276 996 R HA -0.079 4.261 4.340 0.001 0.000 0.203 996 R C 1.142 177.448 176.300 0.010 0.000 1.017 996 R CA 1.270 57.381 56.100 0.019 0.000 1.010 996 R CB -0.253 30.057 30.300 0.017 0.000 0.900 996 R HN 0.904 nan 8.270 nan 0.000 0.469 997 E N 2.357 122.562 120.200 0.008 0.000 2.072 997 E HA -0.150 4.201 4.350 0.001 0.000 0.190 997 E C 1.235 177.838 176.600 0.004 0.000 0.982 997 E CA 0.776 57.178 56.400 0.003 0.000 0.803 997 E CB -0.233 29.468 29.700 0.002 0.000 0.755 997 E HN 0.315 nan 8.360 nan 0.000 0.453 998 K N 0.296 120.700 120.400 0.007 0.000 2.574 998 K HA 0.034 4.354 4.320 0.001 0.000 0.193 998 K C 0.179 176.786 176.600 0.011 0.000 1.035 998 K CA 0.349 56.640 56.287 0.008 0.000 0.982 998 K CB 0.123 32.628 32.500 0.009 0.000 0.795 998 K HN 0.196 nan 8.250 nan 0.000 0.491 999 I N 1.502 122.079 120.570 0.012 0.000 2.474 999 I HA 0.144 4.315 4.170 0.001 0.000 0.294 999 I C 0.151 176.269 176.117 0.003 0.000 1.005 999 I CA -0.462 60.846 61.300 0.014 0.000 1.113 999 I CB 1.609 39.623 38.000 0.023 0.000 1.289 999 I HN -0.048 nan 8.210 nan 0.000 0.436 1000 T N 3.942 118.497 114.554 0.001 0.000 2.952 1000 T HA 0.688 5.038 4.350 0.001 0.000 0.305 1000 T C -0.584 174.105 174.700 -0.018 0.000 1.064 1000 T CA -0.861 61.230 62.100 -0.014 0.000 1.008 1000 T CB 1.778 70.639 68.868 -0.011 0.000 1.078 1000 T HN 0.380 nan 8.240 nan 0.000 0.459 1001 M N 3.015 122.582 119.600 -0.055 0.000 2.363 1001 M HA 0.508 4.988 4.480 0.001 0.000 0.343 1001 M C 0.735 176.993 176.300 -0.069 0.000 1.165 1001 M CA -0.796 54.456 55.300 -0.079 0.000 1.046 1001 M CB 2.115 34.578 32.600 -0.228 0.000 1.648 1001 M HN 1.014 nan 8.290 nan 0.000 0.452 1002 S N 2.852 118.540 115.700 -0.019 0.000 3.152 1002 S HA 0.418 4.888 4.470 0.001 0.000 0.173 1002 S C 0.190 174.811 174.600 0.034 0.000 0.751 1002 S CA -0.745 57.455 58.200 0.001 0.000 0.933 1002 S CB 0.098 63.310 63.200 0.019 0.000 0.877 1002 S HN 0.754 nan 8.310 nan 0.000 0.766 1003 R N 1.954 122.499 120.500 0.074 0.000 2.349 1003 R HA 0.571 4.911 4.340 0.001 0.000 0.299 1003 R C -0.751 175.663 176.300 0.191 0.000 1.027 1003 R CA -0.591 55.573 56.100 0.107 0.000 0.958 1003 R CB 0.668 31.011 30.300 0.072 0.000 1.047 1003 R HN 0.492 nan 8.270 nan 0.000 0.468 1004 E N 1.705 122.045 120.200 0.233 0.000 2.410 1004 E HA 0.023 4.374 4.350 0.001 0.000 0.255 1004 E C 0.248 176.886 176.600 0.063 0.000 1.194 1004 E CA -0.230 56.302 56.400 0.220 0.000 0.955 1004 E CB 0.749 30.540 29.700 0.150 0.000 0.988 1004 E HN 0.518 nan 8.360 nan 0.000 0.461 1005 L N -0.696 120.504 121.223 -0.039 0.000 2.862 1005 L HA 0.402 4.743 4.340 0.001 0.000 0.169 1005 L C 0.765 177.607 176.870 -0.046 0.000 1.164 1005 L CA 0.366 55.190 54.840 -0.026 0.000 0.858 1005 L CB 0.644 42.688 42.059 -0.025 0.000 1.329 1005 L HN 0.690 nan 8.230 nan 0.000 0.514 1006 G N -0.595 108.147 108.800 -0.096 0.000 2.411 1006 G HA2 0.283 4.243 3.960 0.001 0.000 0.295 1006 G HA3 0.283 4.243 3.960 0.001 0.000 0.295 1006 G C -1.937 172.901 174.900 -0.104 0.000 1.542 1006 G CA -0.529 44.525 45.100 -0.077 0.000 0.814 1006 G HN -0.138 nan 8.290 nan 0.000 0.557 1007 Q N 0.088 119.840 119.800 -0.080 0.000 2.263 1007 Q HA 0.484 4.824 4.340 0.001 0.000 0.289 1007 Q C 0.798 176.767 176.000 -0.052 0.000 1.061 1007 Q CA 1.264 57.021 55.803 -0.076 0.000 0.927 1007 Q CB 0.601 29.307 28.738 -0.052 0.000 1.154 1007 Q HN 0.947 nan 8.270 nan 0.000 0.378 1008 G N 1.877 110.652 108.800 -0.042 0.000 2.531 1008 G HA2 0.323 4.283 3.960 0.001 0.000 0.313 1008 G HA3 0.323 4.283 3.960 0.001 0.000 0.313 1008 G C 0.498 175.415 174.900 0.029 0.000 1.238 1008 G CA -0.141 44.969 45.100 0.017 0.000 0.994 1008 G HN 0.700 nan 8.290 nan 0.000 0.493 1009 S N -0.617 115.137 115.700 0.089 0.000 2.359 1009 S HA -0.136 4.334 4.470 0.001 0.000 0.223 1009 S C 1.454 175.942 174.600 -0.187 0.000 1.039 1009 S CA 1.682 59.864 58.200 -0.030 0.000 1.042 1009 S CB -0.325 62.945 63.200 0.116 0.000 0.915 1009 S HN 0.435 nan 8.310 nan 0.000 0.439 1010 F N 0.987 120.978 119.950 0.069 0.000 2.653 1010 F HA 0.523 5.050 4.527 0.001 0.000 0.304 1010 F C 1.068 176.783 175.800 -0.143 0.000 1.092 1010 F CA 0.040 58.042 58.000 0.004 0.000 1.279 1010 F CB 0.433 39.517 39.000 0.140 0.000 1.044 1010 F HN 0.301 nan 8.300 nan 0.000 0.564 1011 G N -0.000 108.818 108.800 0.030 0.000 2.345 1011 G HA2 0.255 4.215 3.960 0.001 0.000 0.310 1011 G HA3 0.255 4.215 3.960 0.001 0.000 0.310 1011 G C -1.152 173.706 174.900 -0.069 0.000 1.476 1011 G CA -1.343 43.723 45.100 -0.058 0.000 0.978 1011 G HN -0.056 nan 8.290 nan 0.000 0.656 1012 M N 0.310 119.842 119.600 -0.113 0.000 2.219 1012 M HA 0.396 4.876 4.480 0.001 0.000 0.340 1012 M C -0.048 176.035 176.300 -0.362 0.000 1.135 1012 M CA 0.475 55.626 55.300 -0.248 0.000 0.976 1012 M CB 0.382 32.802 32.600 -0.301 0.000 1.713 1012 M HN 0.705 nan 8.290 nan 0.000 0.457 1013 V N 6.317 125.959 119.914 -0.454 0.000 2.628 1013 V HA 0.574 4.695 4.120 0.001 0.000 0.306 1013 V C -1.027 174.743 176.094 -0.539 0.000 1.045 1013 V CA -0.605 61.492 62.300 -0.337 0.000 0.905 1013 V CB 1.627 33.386 31.823 -0.107 0.000 0.997 1013 V HN 0.814 nan 8.190 nan 0.000 0.436 1014 Y N 0.965 121.287 120.300 0.037 0.000 2.602 1014 Y HA 0.638 5.188 4.550 0.001 0.000 0.342 1014 Y C 0.058 175.976 175.900 0.030 0.000 1.029 1014 Y CA -0.961 57.156 58.100 0.029 0.000 1.080 1014 Y CB 1.724 40.198 38.460 0.024 0.000 1.284 1014 Y HN 0.625 nan 8.280 nan 0.000 0.485 1015 E N 0.025 120.348 120.200 0.205 0.000 2.221 1015 E HA 0.729 5.080 4.350 0.001 0.000 0.268 1015 E C -0.303 176.355 176.600 0.096 0.000 0.933 1015 E CA -0.456 56.014 56.400 0.117 0.000 0.809 1015 E CB 1.885 31.634 29.700 0.082 0.000 1.190 1015 E HN 0.871 nan 8.360 nan 0.000 0.406 1016 G N 0.792 109.632 108.800 0.065 0.000 2.512 1016 G HA2 0.333 4.293 3.960 0.001 0.000 0.181 1016 G HA3 0.333 4.293 3.960 0.001 0.000 0.181 1016 G C -1.126 173.795 174.900 0.035 0.000 1.173 1016 G CA -0.088 45.039 45.100 0.044 0.000 0.988 1016 G HN 0.905 nan 8.290 nan 0.000 0.485 1017 V N -2.903 117.027 119.914 0.027 0.000 3.160 1017 V HA 1.018 5.138 4.120 0.001 0.000 0.310 1017 V C -0.255 175.852 176.094 0.022 0.000 1.181 1017 V CA -0.489 61.825 62.300 0.022 0.000 1.047 1017 V CB 1.312 33.144 31.823 0.015 0.000 1.068 1017 V HN 2.516 nan 8.190 nan 0.000 0.441 1018 A N 1.089 123.922 122.820 0.021 0.000 2.381 1018 A HA 0.747 5.068 4.320 0.001 0.000 0.299 1018 A C -0.609 176.983 177.584 0.014 0.000 1.049 1018 A CA -0.840 51.209 52.037 0.020 0.000 0.715 1018 A CB 1.315 20.332 19.000 0.028 0.000 1.222 1018 A HN 0.866 nan 8.150 nan 0.000 0.428 1019 K N 1.465 121.871 120.400 0.010 0.000 2.316 1019 K HA 0.480 4.801 4.320 0.001 0.000 0.289 1019 K C 0.552 177.153 176.600 0.002 0.000 1.070 1019 K CA 0.608 56.898 56.287 0.005 0.000 0.928 1019 K CB 0.947 33.449 32.500 0.002 0.000 1.039 1019 K HN 1.660 nan 8.250 nan 0.000 0.480 1020 G N 1.887 110.687 108.800 -0.001 0.000 2.587 1020 G HA2 -0.158 3.802 3.960 0.001 0.000 0.245 1020 G HA3 -0.158 3.802 3.960 0.001 0.000 0.245 1020 G C 0.223 175.119 174.900 -0.006 0.000 0.959 1020 G CA 0.079 45.174 45.100 -0.007 0.000 1.268 1020 G HN 0.618 nan 8.290 nan 0.000 0.448 1021 V N -1.844 118.068 119.914 -0.004 0.000 3.119 1021 V HA 0.530 4.651 4.120 0.001 0.000 0.245 1021 V C 0.610 176.702 176.094 -0.003 0.000 1.598 1021 V CA 0.815 63.117 62.300 0.002 0.000 1.116 1021 V CB 0.443 32.280 31.823 0.023 0.000 0.981 1021 V HN 1.065 nan 8.190 nan 0.000 0.430 1022 V N 1.770 121.683 119.914 -0.002 0.000 2.540 1022 V HA 0.439 4.559 4.120 0.001 0.000 0.302 1022 V C 0.006 176.093 176.094 -0.012 0.000 1.035 1022 V CA -1.008 61.290 62.300 -0.003 0.000 0.873 1022 V CB 1.744 33.572 31.823 0.007 0.000 0.992 1022 V HN 0.468 nan 8.190 nan 0.000 0.428 1023 K N 3.118 123.507 120.400 -0.019 0.000 2.504 1023 K HA -0.022 4.298 4.320 0.001 0.000 0.278 1023 K C -0.159 176.433 176.600 -0.015 0.000 1.025 1023 K CA 0.721 56.996 56.287 -0.021 0.000 1.093 1023 K CB -0.039 32.447 32.500 -0.024 0.000 0.873 1023 K HN 0.823 nan 8.250 nan 0.000 0.483 1024 D N 3.198 123.589 120.400 -0.015 0.000 2.739 1024 D HA -0.151 4.489 4.640 0.001 0.000 0.240 1024 D C -1.225 175.069 176.300 -0.008 0.000 1.114 1024 D CA 1.152 55.145 54.000 -0.012 0.000 0.695 1024 D CB -0.906 39.887 40.800 -0.011 0.000 1.078 1024 D HN 0.697 nan 8.370 nan 0.000 0.434 1025 E N -1.236 118.959 120.200 -0.008 0.000 2.551 1025 E HA 0.153 4.503 4.350 0.001 0.000 0.321 1025 E C -2.012 174.586 176.600 -0.004 0.000 0.975 1025 E CA -1.365 55.032 56.400 -0.004 0.000 0.784 1025 E CB 1.813 31.512 29.700 -0.001 0.000 1.493 1025 E HN -0.120 nan 8.360 nan 0.000 0.385 1026 P HA -0.207 nan 4.420 nan 0.000 0.213 1026 P C -0.238 177.061 177.300 -0.001 0.000 1.176 1026 P CA 1.552 64.650 63.100 -0.003 0.000 0.919 1026 P CB 0.388 32.087 31.700 -0.003 0.000 0.791 1027 E N -2.539 117.662 120.200 0.001 0.000 2.393 1027 E HA 0.576 4.926 4.350 0.001 0.000 0.265 1027 E C -0.879 175.725 176.600 0.007 0.000 0.941 1027 E CA -0.695 55.708 56.400 0.005 0.000 0.801 1027 E CB 2.046 31.749 29.700 0.005 0.000 1.313 1027 E HN -0.209 nan 8.360 nan 0.000 0.435 1028 T N 0.827 115.388 114.554 0.011 0.000 3.097 1028 T HA 0.254 4.604 4.350 0.001 0.000 0.332 1028 T C -1.012 173.698 174.700 0.017 0.000 1.269 1028 T CA -0.978 61.130 62.100 0.013 0.000 1.076 1028 T CB 1.117 69.994 68.868 0.015 0.000 1.209 1028 T HN 0.192 nan 8.240 nan 0.000 0.474 1029 R N 2.364 122.874 120.500 0.015 0.000 2.446 1029 R HA 0.374 4.714 4.340 0.001 0.000 0.314 1029 R C 0.395 176.709 176.300 0.024 0.000 1.003 1029 R CA -0.004 56.107 56.100 0.018 0.000 1.018 1029 R CB -0.383 29.925 30.300 0.013 0.000 0.945 1029 R HN 0.625 nan 8.270 nan 0.000 0.419 1030 V N -0.918 119.015 119.914 0.032 0.000 3.145 1030 V HA 0.974 5.094 4.120 0.001 0.000 0.311 1030 V C -0.480 175.644 176.094 0.050 0.000 1.238 1030 V CA -1.260 61.063 62.300 0.039 0.000 1.066 1030 V CB 2.150 33.999 31.823 0.043 0.000 1.144 1030 V HN 0.671 nan 8.190 nan 0.000 0.465 1031 A N 1.191 124.045 122.820 0.057 0.000 2.371 1031 A HA 0.889 5.210 4.320 0.001 0.000 0.311 1031 A C -1.056 176.582 177.584 0.090 0.000 1.068 1031 A CA -0.613 51.466 52.037 0.071 0.000 0.744 1031 A CB 1.349 20.383 19.000 0.056 0.000 1.239 1031 A HN 0.793 nan 8.150 nan 0.000 0.435 1032 I N 2.268 122.915 120.570 0.127 0.000 2.382 1032 I HA 0.335 4.506 4.170 0.001 0.000 0.286 1032 I C 0.018 176.245 176.117 0.183 0.000 1.002 1032 I CA -0.429 60.967 61.300 0.160 0.000 1.135 1032 I CB 1.171 39.288 38.000 0.196 0.000 1.288 1032 I HN 0.655 nan 8.210 nan 0.000 0.448 1033 K N 4.052 124.569 120.400 0.195 0.000 2.087 1033 K HA 0.706 5.026 4.320 0.001 0.000 0.255 1033 K C 0.379 177.130 176.600 0.252 0.000 0.988 1033 K CA -0.419 56.021 56.287 0.256 0.000 0.915 1033 K CB 2.103 34.838 32.500 0.393 0.000 1.043 1033 K HN 0.787 nan 8.250 nan 0.000 0.457 1034 T N -2.816 111.771 114.554 0.055 0.000 2.654 1034 T HA 0.659 5.009 4.350 0.001 0.000 0.289 1034 T C -0.402 173.923 174.700 -0.624 0.000 1.062 1034 T CA -0.741 61.244 62.100 -0.193 0.000 1.041 1034 T CB 1.058 69.927 68.868 0.003 0.000 1.417 1034 T HN 0.238 nan 8.240 nan 0.000 0.510 1047 F N 2.683 122.498 119.950 -0.225 0.000 2.091 1047 F HA -0.099 4.428 4.527 0.001 0.000 0.299 1047 F C 2.036 177.573 175.800 -0.437 0.000 1.103 1047 F CA 1.997 59.709 58.000 -0.479 0.000 1.228 1047 F CB -0.347 38.476 39.000 -0.295 0.000 0.984 1047 F HN 0.063 nan 8.300 nan 0.000 0.477 1048 L N 0.114 121.130 121.223 -0.345 0.000 2.046 1048 L HA -0.274 4.066 4.340 0.001 0.000 0.208 1048 L C 2.284 178.865 176.870 -0.482 0.000 1.077 1048 L CA 1.362 55.864 54.840 -0.565 0.000 0.747 1048 L CB -0.969 40.767 42.059 -0.538 0.000 0.896 1048 L HN 0.191 nan 8.230 nan 0.000 0.432 1049 N N -0.015 118.531 118.700 -0.257 0.000 2.192 1049 N HA -0.257 4.483 4.740 0.001 0.000 0.188 1049 N C 1.706 177.079 175.510 -0.229 0.000 1.013 1049 N CA 1.477 54.432 53.050 -0.158 0.000 0.863 1049 N CB -0.178 38.266 38.487 -0.072 0.000 0.990 1049 N HN 0.522 nan 8.380 nan 0.000 0.430 1050 E N 1.163 121.165 120.200 -0.330 0.000 2.006 1050 E HA -0.070 4.281 4.350 0.001 0.000 0.192 1050 E C 1.868 178.256 176.600 -0.354 0.000 0.993 1050 E CA 0.961 57.179 56.400 -0.304 0.000 0.808 1050 E CB -0.082 29.394 29.700 -0.373 0.000 0.764 1050 E HN 0.251 nan 8.360 nan 0.000 0.449 1051 A N 0.760 123.285 122.820 -0.493 0.000 2.084 1051 A HA -0.200 4.120 4.320 0.001 0.000 0.221 1051 A C 2.273 179.572 177.584 -0.475 0.000 1.161 1051 A CA 1.835 53.576 52.037 -0.494 0.000 0.653 1051 A CB -0.813 17.828 19.000 -0.598 0.000 0.802 1051 A HN 0.364 nan 8.150 nan 0.000 0.457 1052 S N -0.572 114.891 115.700 -0.396 0.000 2.399 1052 S HA -0.124 4.346 4.470 0.001 0.000 0.231 1052 S C 1.789 176.151 174.600 -0.396 0.000 1.022 1052 S CA 1.668 59.709 58.200 -0.265 0.000 0.983 1052 S CB -0.438 62.719 63.200 -0.072 0.000 0.803 1052 S HN 0.372 nan 8.310 nan 0.000 0.480 1053 V N 1.742 121.397 119.914 -0.431 0.000 2.548 1053 V HA 0.004 4.125 4.120 0.001 0.000 0.249 1053 V C 2.257 177.744 176.094 -1.011 0.000 1.055 1053 V CA 1.423 63.355 62.300 -0.612 0.000 1.065 1053 V CB -0.655 30.916 31.823 -0.420 0.000 0.681 1053 V HN 0.518 nan 8.190 nan 0.000 0.462 1054 M N -0.421 118.715 119.600 -0.773 0.000 2.700 1054 M HA -0.107 4.374 4.480 0.001 0.000 0.249 1054 M C 1.898 177.688 176.300 -0.851 0.000 1.082 1054 M CA 1.166 56.018 55.300 -0.746 0.000 1.077 1054 M CB -0.319 31.956 32.600 -0.541 0.000 1.477 1054 M HN 0.360 nan 8.290 nan 0.000 0.529 1055 K N 0.156 119.972 120.400 -0.973 0.000 2.007 1055 K HA -0.083 4.238 4.320 0.001 0.000 0.206 1055 K C 1.675 177.935 176.600 -0.566 0.000 1.047 1055 K CA 0.863 56.529 56.287 -1.034 0.000 0.937 1055 K CB -0.024 31.959 32.500 -0.862 0.000 0.718 1055 K HN 0.221 nan 8.250 nan 0.000 0.438 1056 E N 0.442 120.242 120.200 -0.667 0.000 2.333 1056 E HA -0.088 4.262 4.350 0.001 0.000 0.198 1056 E C 0.091 176.541 176.600 -0.250 0.000 1.007 1056 E CA 0.802 56.943 56.400 -0.432 0.000 0.845 1056 E CB -0.075 29.337 29.700 -0.479 0.000 0.766 1056 E HN 0.115 nan 8.360 nan 0.000 0.507 1057 F N 0.842 120.664 119.950 -0.213 0.000 2.399 1057 F HA 0.446 4.973 4.527 0.000 0.000 0.334 1057 F C 0.458 176.229 175.800 -0.049 0.000 1.097 1057 F CA -1.652 56.296 58.000 -0.087 0.000 1.076 1057 F CB 0.653 39.473 39.000 -0.300 0.000 1.162 1057 F HN -0.255 nan 8.300 nan 0.000 0.495 1058 N N 1.349 120.165 118.700 0.194 0.000 2.839 1058 N HA 0.437 5.178 4.740 0.001 0.000 0.258 1058 N C -2.098 173.222 175.510 -0.317 0.000 1.150 1058 N CA -0.170 52.878 53.050 -0.004 0.000 0.957 1058 N CB 1.084 39.621 38.487 0.082 0.000 1.560 1058 N HN 0.895 nan 8.380 nan 0.000 0.588 1059 C N 3.772 122.865 119.300 -0.345 0.000 3.199 1059 C HA 0.368 4.829 4.460 0.001 0.000 0.392 1059 C C 1.344 176.206 174.990 -0.215 0.000 1.050 1059 C CA -0.519 58.224 59.018 -0.459 0.000 1.222 1059 C CB 0.214 27.351 27.740 -1.004 0.000 1.595 1059 C HN 1.093 nan 8.230 nan 0.000 0.560 1060 H N 1.794 120.693 119.070 -0.285 0.000 2.431 1060 H HA -0.106 4.451 4.556 0.001 0.000 0.297 1060 H C 1.018 176.132 175.328 -0.357 0.000 1.115 1060 H CA 2.618 58.467 56.048 -0.331 0.000 1.277 1060 H CB -0.077 29.417 29.762 -0.446 0.000 1.372 1060 H HN 0.831 nan 8.280 nan 0.000 0.516 1061 H N -1.250 117.775 119.070 -0.075 0.000 2.591 1061 H HA 0.431 4.988 4.556 0.001 0.000 0.302 1061 H C -0.882 174.393 175.328 -0.088 0.000 1.163 1061 H CA -0.195 55.800 56.048 -0.089 0.000 1.049 1061 H CB 0.373 30.144 29.762 0.015 0.000 1.543 1061 H HN -0.030 nan 8.280 nan 0.000 0.523 1062 V N 1.262 121.161 119.914 -0.024 0.000 2.663 1062 V HA -0.001 4.119 4.120 0.001 0.000 0.286 1062 V C -0.128 175.997 176.094 0.051 0.000 1.085 1062 V CA -0.993 61.336 62.300 0.048 0.000 0.916 1062 V CB 1.801 33.628 31.823 0.006 0.000 1.039 1062 V HN 0.093 nan 8.190 nan 0.000 0.453 1063 V N 4.769 124.742 119.914 0.098 0.000 2.795 1063 V HA -0.108 4.012 4.120 0.001 0.000 0.298 1063 V C 1.110 177.239 176.094 0.058 0.000 1.107 1063 V CA 0.799 63.143 62.300 0.074 0.000 1.270 1063 V CB -0.278 31.615 31.823 0.117 0.000 0.831 1063 V HN 0.871 nan 8.190 nan 0.000 0.473 1064 R N 3.986 124.497 120.500 0.018 0.000 2.539 1064 R HA 0.393 4.733 4.340 0.001 0.000 0.275 1064 R C -0.450 175.855 176.300 0.010 0.000 1.077 1064 R CA -0.805 55.303 56.100 0.014 0.000 1.097 1064 R CB 0.682 31.000 30.300 0.030 0.000 1.018 1064 R HN 0.590 nan 8.270 nan 0.000 0.483 1065 L N 5.951 127.161 121.223 -0.021 0.000 2.257 1065 L HA 0.229 4.569 4.340 0.001 0.000 0.290 1065 L C -0.008 176.937 176.870 0.125 0.000 1.044 1065 L CA 0.099 54.905 54.840 -0.057 0.000 0.810 1065 L CB 1.187 43.066 42.059 -0.301 0.000 1.193 1065 L HN 0.775 nan 8.230 nan 0.000 0.425 1066 L N 4.059 125.360 121.223 0.130 0.000 2.042 1066 L HA 0.451 4.791 4.340 0.001 0.000 0.204 1066 L C 1.242 178.290 176.870 0.296 0.000 1.130 1066 L CA 0.777 55.735 54.840 0.196 0.000 0.779 1066 L CB -0.831 41.291 42.059 0.105 0.000 0.918 1066 L HN 0.760 nan 8.230 nan 0.000 0.450 1067 G N -1.351 107.561 108.800 0.186 0.000 3.243 1067 G HA2 0.549 4.509 3.960 0.001 0.000 0.248 1067 G HA3 0.549 4.509 3.960 0.001 0.000 0.248 1067 G C -1.680 173.290 174.900 0.117 0.000 1.267 1067 G CA -0.122 45.101 45.100 0.206 0.000 0.906 1067 G HN 0.065 nan 8.290 nan 0.000 0.592 1068 V N -1.304 118.673 119.914 0.105 0.000 3.036 1068 V HA 0.459 4.579 4.120 0.001 0.000 0.280 1068 V C -1.558 174.576 176.094 0.067 0.000 1.497 1068 V CA -0.654 61.666 62.300 0.034 0.000 0.982 1068 V CB 1.775 33.553 31.823 -0.074 0.000 1.171 1068 V HN 0.752 nan 8.190 nan 0.000 0.444 1069 V N 6.585 126.528 119.914 0.049 0.000 2.270 1069 V HA 0.327 4.447 4.120 0.001 0.000 0.263 1069 V C 1.289 177.427 176.094 0.074 0.000 1.066 1069 V CA 0.730 63.071 62.300 0.068 0.000 0.857 1069 V CB 0.502 32.361 31.823 0.060 0.000 1.099 1069 V HN 1.122 nan 8.190 nan 0.000 0.476 1070 S N 3.355 119.129 115.700 0.123 0.000 2.371 1070 S HA 0.031 4.502 4.470 0.001 0.000 0.221 1070 S C 0.805 175.477 174.600 0.119 0.000 1.036 1070 S CA 0.043 58.344 58.200 0.168 0.000 0.965 1070 S CB -0.169 63.251 63.200 0.368 0.000 0.845 1070 S HN 0.702 nan 8.310 nan 0.000 0.475 1071 Q N 2.142 122.000 119.800 0.097 0.000 2.281 1071 Q HA 0.522 4.863 4.340 0.001 0.000 0.267 1071 Q C 0.463 176.493 176.000 0.051 0.000 1.053 1071 Q CA 0.298 56.140 55.803 0.065 0.000 0.905 1071 Q CB 0.488 29.257 28.738 0.052 0.000 1.195 1071 Q HN 0.709 nan 8.270 nan 0.000 0.398 1072 G N 2.289 111.115 108.800 0.044 0.000 2.566 1072 G HA2 -0.165 3.795 3.960 0.001 0.000 0.599 1072 G HA3 -0.165 3.795 3.960 0.001 0.000 0.599 1072 G C -1.288 173.631 174.900 0.033 0.000 1.292 1072 G CA -0.998 44.122 45.100 0.033 0.000 0.922 1072 G HN 0.519 nan 8.290 nan 0.000 0.514 1073 Q N -0.340 119.474 119.800 0.022 0.000 2.379 1073 Q HA 0.567 4.907 4.340 0.001 0.000 0.278 1073 Q C -2.475 173.531 176.000 0.010 0.000 1.068 1073 Q CA -1.492 54.321 55.803 0.016 0.000 0.816 1073 Q CB 2.254 30.998 28.738 0.011 0.000 1.387 1073 Q HN 0.558 nan 8.270 nan 0.000 0.413 1074 P HA 0.084 nan 4.420 nan 0.000 0.272 1074 P C -0.863 176.449 177.300 0.020 0.000 1.230 1074 P CA -0.374 62.726 63.100 0.001 0.000 0.788 1074 P CB 0.439 32.137 31.700 -0.004 0.000 0.949 1075 T N -0.107 114.457 114.554 0.017 0.000 2.794 1075 T HA 0.535 4.885 4.350 0.001 0.000 0.304 1075 T C 0.086 174.884 174.700 0.163 0.000 0.973 1075 T CA -0.706 61.442 62.100 0.079 0.000 0.972 1075 T CB -0.746 68.184 68.868 0.103 0.000 0.952 1075 T HN 0.163 nan 8.240 nan 0.000 0.509 1076 L N 2.407 123.725 121.223 0.159 0.000 2.400 1076 L HA 0.879 5.220 4.340 0.001 0.000 0.264 1076 L C -0.343 176.638 176.870 0.185 0.000 1.061 1076 L CA -1.566 53.410 54.840 0.225 0.000 0.799 1076 L CB 1.203 43.345 42.059 0.138 0.000 1.240 1076 L HN 0.276 nan 8.230 nan 0.000 0.461 1077 V N 1.630 121.643 119.914 0.166 0.000 2.577 1077 V HA 0.412 4.532 4.120 0.001 0.000 0.303 1077 V C -0.457 175.655 176.094 0.031 0.000 1.042 1077 V CA -0.353 61.943 62.300 -0.006 0.000 0.872 1077 V CB 2.023 33.724 31.823 -0.202 0.000 0.998 1077 V HN 0.428 nan 8.190 nan 0.000 0.423 1078 I N 5.843 126.424 120.570 0.018 0.000 2.336 1078 I HA 0.620 4.791 4.170 0.001 0.000 0.292 1078 I C 0.128 176.260 176.117 0.026 0.000 0.991 1078 I CA 0.152 61.476 61.300 0.040 0.000 1.227 1078 I CB 1.263 39.297 38.000 0.055 0.000 1.366 1078 I HN 0.486 nan 8.210 nan 0.000 0.466 1079 M N 3.385 123.004 119.600 0.033 0.000 2.618 1079 M HA 0.375 4.856 4.480 0.001 0.000 0.281 1079 M C -0.290 176.030 176.300 0.034 0.000 1.267 1079 M CA -0.864 54.452 55.300 0.027 0.000 0.845 1079 M CB 2.174 34.786 32.600 0.020 0.000 1.732 1079 M HN 0.560 nan 8.290 nan 0.000 0.461 1080 E N 1.898 122.117 120.200 0.030 0.000 2.558 1080 E HA 0.054 4.405 4.350 0.001 0.000 0.255 1080 E C -1.280 175.332 176.600 0.019 0.000 0.968 1080 E CA -0.298 56.115 56.400 0.023 0.000 0.939 1080 E CB 0.691 30.399 29.700 0.013 0.000 0.921 1080 E HN 0.502 nan 8.360 nan 0.000 0.477 1081 L N 5.351 126.584 121.223 0.017 0.000 2.410 1081 L HA 0.131 4.472 4.340 0.001 0.000 0.273 1081 L C -0.612 176.259 176.870 0.000 0.000 1.152 1081 L CA 0.429 55.277 54.840 0.014 0.000 0.855 1081 L CB 0.835 42.903 42.059 0.016 0.000 1.129 1081 L HN 0.629 nan 8.230 nan 0.000 0.463 1082 M N 4.973 124.573 119.600 0.001 0.000 2.006 1082 M HA 0.201 4.682 4.480 0.001 0.000 0.314 1082 M C 1.083 177.380 176.300 -0.005 0.000 0.926 1082 M CA -0.280 55.012 55.300 -0.013 0.000 0.906 1082 M CB 0.546 33.138 32.600 -0.013 0.000 1.422 1082 M HN 0.770 nan 8.290 nan 0.000 0.397 1083 T N -0.997 113.550 114.554 -0.011 0.000 3.007 1083 T HA 0.002 4.352 4.350 0.001 0.000 0.270 1083 T C 1.372 176.082 174.700 0.017 0.000 1.107 1083 T CA 0.928 63.029 62.100 0.001 0.000 1.118 1083 T CB 0.066 68.928 68.868 -0.009 0.000 0.889 1083 T HN 0.596 nan 8.240 nan 0.000 0.506 1084 R N 1.003 121.508 120.500 0.009 0.000 2.334 1084 R HA 0.437 4.777 4.340 0.001 0.000 0.216 1084 R C 1.379 177.722 176.300 0.072 0.000 0.905 1084 R CA 0.258 56.389 56.100 0.052 0.000 1.064 1084 R CB 0.079 30.392 30.300 0.022 0.000 1.046 1084 R HN 0.589 nan 8.270 nan 0.000 0.508 1085 G N 1.978 110.803 108.800 0.040 0.000 2.660 1085 G HA2 -0.243 3.718 3.960 0.001 0.000 0.215 1085 G HA3 -0.243 3.718 3.960 0.001 0.000 0.215 1085 G C -0.945 173.975 174.900 0.034 0.000 1.345 1085 G CA -0.332 44.797 45.100 0.048 0.000 0.877 1085 G HN 0.390 nan 8.290 nan 0.000 0.549 1086 D N -0.101 120.325 120.400 0.044 0.000 2.339 1086 D HA 0.303 4.944 4.640 0.001 0.000 0.245 1086 D C 1.717 178.057 176.300 0.066 0.000 1.115 1086 D CA -0.270 53.749 54.000 0.031 0.000 0.917 1086 D CB 1.612 42.425 40.800 0.022 0.000 1.192 1086 D HN 0.635 nan 8.370 nan 0.000 0.428 1087 L N 1.524 122.775 121.223 0.046 0.000 2.079 1087 L HA -0.190 4.151 4.340 0.001 0.000 0.210 1087 L C 2.371 179.329 176.870 0.147 0.000 1.081 1087 L CA 1.859 56.753 54.840 0.090 0.000 0.752 1087 L CB -0.838 41.254 42.059 0.054 0.000 0.896 1087 L HN 0.617 nan 8.230 nan 0.000 0.433 1088 K N -1.171 119.291 120.400 0.103 0.000 2.002 1088 K HA -0.144 4.177 4.320 0.001 0.000 0.209 1088 K C 2.079 178.744 176.600 0.108 0.000 1.048 1088 K CA 1.639 57.990 56.287 0.107 0.000 0.930 1088 K CB -0.153 32.396 32.500 0.081 0.000 0.714 1088 K HN 0.369 nan 8.250 nan 0.000 0.438 1089 S N 0.229 115.991 115.700 0.103 0.000 2.359 1089 S HA -0.201 4.269 4.470 0.001 0.000 0.224 1089 S C 1.653 176.319 174.600 0.110 0.000 1.035 1089 S CA 1.538 59.793 58.200 0.092 0.000 1.018 1089 S CB -0.608 62.645 63.200 0.087 0.000 0.876 1089 S HN 0.424 nan 8.310 nan 0.000 0.448 1090 Y N 2.340 122.658 120.300 0.030 0.000 2.030 1090 Y HA -0.196 4.355 4.550 0.001 0.000 0.274 1090 Y C 2.027 177.936 175.900 0.015 0.000 1.153 1090 Y CA 1.513 59.631 58.100 0.030 0.000 1.115 1090 Y CB -0.730 37.755 38.460 0.042 0.000 0.969 1090 Y HN 0.127 nan 8.280 nan 0.000 0.488 1091 L N -0.099 121.183 121.223 0.099 0.000 2.137 1091 L HA -0.321 4.019 4.340 0.001 0.000 0.213 1091 L C 2.546 179.364 176.870 -0.086 0.000 1.085 1091 L CA 1.753 56.586 54.840 -0.012 0.000 0.760 1091 L CB -0.465 41.638 42.059 0.073 0.000 0.893 1091 L HN 0.281 nan 8.230 nan 0.000 0.434 1092 R N -0.859 119.612 120.500 -0.049 0.000 2.127 1092 R HA -0.052 4.289 4.340 0.001 0.000 0.217 1092 R C 2.523 178.771 176.300 -0.087 0.000 1.074 1092 R CA 1.166 57.237 56.100 -0.050 0.000 0.991 1092 R CB -0.140 30.158 30.300 -0.004 0.000 0.895 1092 R HN 0.428 nan 8.270 nan 0.000 0.450 1093 S N 0.823 116.450 115.700 -0.122 0.000 2.474 1093 S HA -0.021 4.449 4.470 0.001 0.000 0.235 1093 S C 1.764 176.255 174.600 -0.181 0.000 0.997 1093 S CA 0.715 58.837 58.200 -0.130 0.000 0.949 1093 S CB -0.189 62.938 63.200 -0.122 0.000 0.766 1093 S HN 0.238 nan 8.310 nan 0.000 0.517 1094 L N 0.376 121.445 121.223 -0.257 0.000 2.591 1094 L HA 0.235 4.575 4.340 0.001 0.000 0.228 1094 L C 0.937 177.717 176.870 -0.150 0.000 1.133 1094 L CA -0.085 54.611 54.840 -0.241 0.000 0.880 1094 L CB -0.358 41.506 42.059 -0.326 0.000 1.033 1094 L HN 0.135 nan 8.230 nan 0.000 0.450 1095 R N 2.397 122.826 120.500 -0.119 0.000 2.442 1095 R HA 0.133 4.473 4.340 0.001 0.000 0.291 1095 R C -2.010 174.247 176.300 -0.073 0.000 1.069 1095 R CA -1.645 54.403 56.100 -0.088 0.000 1.022 1095 R CB 0.038 30.297 30.300 -0.068 0.000 0.976 1095 R HN -0.084 nan 8.270 nan 0.000 0.443 1096 P HA -0.057 nan 4.420 nan 0.000 0.259 1096 P C -0.734 176.541 177.300 -0.043 0.000 1.211 1096 P CA 0.597 63.665 63.100 -0.053 0.000 0.810 1096 P CB 0.688 32.357 31.700 -0.051 0.000 0.815 1104 L N 4.526 125.727 121.223 -0.036 0.000 2.451 1104 L HA 0.552 4.892 4.340 0.001 0.000 0.272 1104 L C 0.631 177.450 176.870 -0.085 0.000 1.258 1104 L CA 0.856 55.652 54.840 -0.073 0.000 1.132 1104 L CB -1.067 40.953 42.059 -0.065 0.000 1.361 1104 L HN 0.799 nan 8.230 nan 0.000 0.438 1105 A N 4.822 127.582 122.820 -0.101 0.000 2.318 1105 A HA 0.796 5.116 4.320 0.001 0.000 0.317 1105 A C -2.280 175.230 177.584 -0.122 0.000 1.159 1105 A CA -1.368 50.611 52.037 -0.096 0.000 0.799 1105 A CB 0.877 19.833 19.000 -0.074 0.000 1.194 1105 A HN 0.390 nan 8.150 nan 0.000 0.479 1106 P HA 0.305 nan 4.420 nan 0.000 0.268 1106 P C -2.363 174.882 177.300 -0.093 0.000 1.204 1106 P CA -0.376 62.660 63.100 -0.107 0.000 0.768 1106 P CB -0.114 31.531 31.700 -0.092 0.000 0.842 1107 P HA 0.074 nan 4.420 nan 0.000 0.268 1107 P C -0.158 177.106 177.300 -0.061 0.000 1.205 1107 P CA -0.058 63.002 63.100 -0.067 0.000 0.771 1107 P CB 0.392 32.067 31.700 -0.043 0.000 0.858 1108 S N 2.766 118.435 115.700 -0.053 0.000 2.672 1108 S HA 0.172 4.642 4.470 0.001 0.000 0.276 1108 S C 1.127 175.701 174.600 -0.043 0.000 1.207 1108 S CA -0.800 57.372 58.200 -0.046 0.000 1.002 1108 S CB 0.474 63.650 63.200 -0.039 0.000 0.998 1108 S HN 0.455 nan 8.310 nan 0.000 0.542 1109 L N 1.353 122.552 121.223 -0.041 0.000 2.137 1109 L HA -0.118 4.223 4.340 0.001 0.000 0.213 1109 L C 2.189 179.037 176.870 -0.036 0.000 1.085 1109 L CA 2.677 57.493 54.840 -0.039 0.000 0.760 1109 L CB -1.573 40.465 42.059 -0.035 0.000 0.893 1109 L HN 0.978 nan 8.230 nan 0.000 0.434 1110 S N -0.333 115.347 115.700 -0.032 0.000 2.335 1110 S HA -0.139 4.331 4.470 0.001 0.000 0.217 1110 S C 1.859 176.441 174.600 -0.030 0.000 1.032 1110 S CA 0.841 59.024 58.200 -0.029 0.000 0.985 1110 S CB -0.052 63.135 63.200 -0.021 0.000 0.896 1110 S HN 0.413 nan 8.310 nan 0.000 0.445 1111 K N 0.845 121.228 120.400 -0.028 0.000 2.281 1111 K HA -0.020 4.300 4.320 0.001 0.000 0.203 1111 K C 1.959 178.546 176.600 -0.022 0.000 1.046 1111 K CA 1.123 57.394 56.287 -0.026 0.000 0.938 1111 K CB -0.468 32.007 32.500 -0.040 0.000 0.737 1111 K HN 0.528 nan 8.250 nan 0.000 0.458 1112 M N -0.192 119.391 119.600 -0.029 0.000 2.248 1112 M HA -0.031 4.450 4.480 0.001 0.000 0.265 1112 M C 1.902 178.184 176.300 -0.031 0.000 1.079 1112 M CA 0.814 56.097 55.300 -0.028 0.000 1.150 1112 M CB -0.153 32.424 32.600 -0.039 0.000 1.366 1112 M HN -0.066 nan 8.290 nan 0.000 0.433 1113 I N 0.624 121.169 120.570 -0.042 0.000 2.194 1113 I HA -0.298 3.873 4.170 0.001 0.000 0.246 1113 I C 2.468 178.541 176.117 -0.073 0.000 1.093 1113 I CA 1.692 62.959 61.300 -0.055 0.000 1.355 1113 I CB -1.421 36.539 38.000 -0.068 0.000 1.046 1113 I HN 0.372 nan 8.210 nan 0.000 0.413 1114 Q N 1.559 121.320 119.800 -0.064 0.000 1.985 1114 Q HA -0.224 4.116 4.340 0.001 0.000 0.207 1114 Q C 2.296 178.270 176.000 -0.044 0.000 0.996 1114 Q CA 2.214 57.977 55.803 -0.066 0.000 0.851 1114 Q CB -0.416 28.315 28.738 -0.012 0.000 0.921 1114 Q HN 0.502 nan 8.270 nan 0.000 0.418 1115 M N -0.320 119.276 119.600 -0.006 0.000 2.082 1115 M HA -0.205 4.275 4.480 0.001 0.000 0.258 1115 M C 2.252 178.575 176.300 0.039 0.000 1.069 1115 M CA 1.785 57.096 55.300 0.017 0.000 1.102 1115 M CB -0.806 31.810 32.600 0.027 0.000 1.336 1115 M HN 0.324 nan 8.290 nan 0.000 0.404 1116 A N 1.164 124.012 122.820 0.047 0.000 1.873 1116 A HA -0.131 4.190 4.320 0.001 0.000 0.218 1116 A C 2.451 180.142 177.584 0.179 0.000 1.193 1116 A CA 2.368 54.501 52.037 0.160 0.000 0.629 1116 A CB -1.788 17.277 19.000 0.109 0.000 0.826 1116 A HN 0.586 nan 8.150 nan 0.000 0.447 1117 G N -0.632 108.167 108.800 -0.001 0.000 2.446 1117 G HA2 -0.241 3.719 3.960 0.001 0.000 0.217 1117 G HA3 -0.241 3.719 3.960 0.001 0.000 0.217 1117 G C 1.417 176.250 174.900 -0.111 0.000 1.168 1117 G CA 1.058 46.084 45.100 -0.123 0.000 0.771 1117 G HN 0.687 nan 8.290 nan 0.000 0.551 1118 E N 0.151 120.259 120.200 -0.153 0.000 2.058 1118 E HA -0.117 4.234 4.350 0.001 0.000 0.194 1118 E C 2.539 178.996 176.600 -0.239 0.000 0.997 1118 E CA 0.908 57.084 56.400 -0.374 0.000 0.801 1118 E CB -0.209 29.385 29.700 -0.177 0.000 0.746 1118 E HN 0.498 nan 8.360 nan 0.000 0.450 1119 I N 1.079 121.629 120.570 -0.034 0.000 2.252 1119 I HA -0.214 3.956 4.170 0.001 0.000 0.245 1119 I C 2.450 178.549 176.117 -0.031 0.000 1.102 1119 I CA 0.884 62.205 61.300 0.036 0.000 1.385 1119 I CB -0.298 37.827 38.000 0.207 0.000 1.064 1119 I HN 0.059 nan 8.210 nan 0.000 0.414 1120 A N -0.150 122.661 122.820 -0.014 0.000 2.168 1120 A HA -0.211 4.110 4.320 0.001 0.000 0.215 1120 A C 1.823 179.373 177.584 -0.056 0.000 1.152 1120 A CA 1.709 53.647 52.037 -0.165 0.000 0.716 1120 A CB -0.520 18.389 19.000 -0.152 0.000 0.794 1120 A HN 0.441 nan 8.150 nan 0.000 0.465 1121 D N -0.793 119.607 120.400 0.000 0.000 2.162 1121 D HA 0.049 4.689 4.640 0.001 0.000 0.205 1121 D C 2.035 178.415 176.300 0.133 0.000 0.964 1121 D CA 1.305 55.404 54.000 0.166 0.000 0.847 1121 D CB -0.259 40.661 40.800 0.199 0.000 0.988 1121 D HN 0.241 nan 8.370 nan 0.000 0.480 1122 G N 0.522 109.335 108.800 0.021 0.000 2.421 1122 G HA2 -0.227 3.733 3.960 0.001 0.000 0.216 1122 G HA3 -0.227 3.733 3.960 0.001 0.000 0.216 1122 G C 1.526 176.321 174.900 -0.175 0.000 1.171 1122 G CA 0.827 45.921 45.100 -0.011 0.000 0.775 1122 G HN 0.144 nan 8.290 nan 0.000 0.543 1123 M N 1.349 120.682 119.600 -0.445 0.000 2.080 1123 M HA -0.031 4.449 4.480 0.001 0.000 0.260 1123 M C 3.027 178.900 176.300 -0.712 0.000 1.068 1123 M CA 1.403 56.190 55.300 -0.854 0.000 1.109 1123 M CB -1.459 30.010 32.600 -1.885 0.000 1.342 1123 M HN 0.324 nan 8.290 nan 0.000 0.405 1124 A N -0.629 121.923 122.820 -0.446 0.000 1.908 1124 A HA -0.236 4.085 4.320 0.001 0.000 0.218 1124 A C 2.168 179.713 177.584 -0.065 0.000 1.181 1124 A CA 1.763 53.820 52.037 0.033 0.000 0.627 1124 A CB -1.237 17.980 19.000 0.362 0.000 0.818 1124 A HN 0.535 nan 8.150 nan 0.000 0.445 1125 Y N 0.667 120.699 120.300 -0.446 0.000 2.097 1125 Y HA -0.218 4.332 4.550 0.001 0.000 0.282 1125 Y C 2.003 177.595 175.900 -0.513 0.000 1.152 1125 Y CA 1.978 59.441 58.100 -1.061 0.000 1.136 1125 Y CB -0.473 37.489 38.460 -0.829 0.000 0.975 1125 Y HN 0.217 nan 8.280 nan 0.000 0.498 1126 L N 0.362 121.312 121.223 -0.455 0.000 1.989 1126 L HA -0.298 4.043 4.340 0.001 0.000 0.211 1126 L C 2.184 178.965 176.870 -0.147 0.000 1.071 1126 L CA 2.154 56.770 54.840 -0.374 0.000 0.749 1126 L CB -0.900 40.986 42.059 -0.289 0.000 0.890 1126 L HN 0.375 nan 8.230 nan 0.000 0.431 1127 N N -0.160 118.469 118.700 -0.118 0.000 2.205 1127 N HA -0.166 4.575 4.740 0.001 0.000 0.186 1127 N C 1.870 177.376 175.510 -0.007 0.000 1.015 1127 N CA 0.914 53.966 53.050 0.003 0.000 0.862 1127 N CB -0.102 38.444 38.487 0.097 0.000 0.986 1127 N HN 0.342 nan 8.380 nan 0.000 0.429 1128 A N 1.511 124.288 122.820 -0.072 0.000 1.930 1128 A HA -0.074 4.246 4.320 0.001 0.000 0.217 1128 A C 1.467 179.019 177.584 -0.053 0.000 1.175 1128 A CA 1.286 53.315 52.037 -0.014 0.000 0.627 1128 A CB -0.229 18.799 19.000 0.047 0.000 0.815 1128 A HN 0.217 nan 8.150 nan 0.000 0.443 1129 N N 0.380 118.992 118.700 -0.147 0.000 2.413 1129 N HA 0.071 4.811 4.740 0.001 0.000 0.207 1129 N C -0.495 174.975 175.510 -0.068 0.000 1.206 1129 N CA 0.183 53.209 53.050 -0.040 0.000 0.832 1129 N CB 0.072 38.578 38.487 0.032 0.000 1.037 1129 N HN 0.220 nan 8.380 nan 0.000 0.467 1130 K N -0.185 120.173 120.400 -0.070 0.000 3.162 1130 K HA -0.185 4.136 4.320 0.001 0.000 0.268 1130 K C -1.099 175.277 176.600 -0.372 0.000 1.062 1130 K CA 0.697 56.895 56.287 -0.148 0.000 0.769 1130 K CB -2.009 30.459 32.500 -0.053 0.000 1.274 1130 K HN 0.186 nan 8.250 nan 0.000 0.478 1131 F N -0.888 119.073 119.950 0.018 0.000 2.551 1131 F HA 0.466 4.994 4.527 0.001 0.000 0.316 1131 F C 0.135 175.944 175.800 0.015 0.000 1.089 1131 F CA -1.063 56.956 58.000 0.032 0.000 0.915 1131 F CB 1.954 40.993 39.000 0.065 0.000 1.186 1131 F HN -0.155 nan 8.300 nan 0.000 0.456 1132 V N 4.140 124.200 119.914 0.242 0.000 2.407 1132 V HA 0.253 4.373 4.120 0.001 0.000 0.291 1132 V C 0.601 176.774 176.094 0.131 0.000 1.018 1132 V CA -0.161 62.240 62.300 0.168 0.000 0.842 1132 V CB 0.929 32.838 31.823 0.142 0.000 0.996 1132 V HN 0.944 nan 8.190 nan 0.000 0.426 1133 H N 5.802 124.910 119.070 0.063 0.000 2.389 1133 H HA -0.028 4.528 4.556 0.001 0.000 0.299 1133 H C 1.595 176.925 175.328 0.002 0.000 1.081 1133 H CA 1.948 58.006 56.048 0.015 0.000 1.345 1133 H CB 0.372 30.120 29.762 -0.023 0.000 1.393 1133 H HN 0.840 nan 8.280 nan 0.000 0.520 1134 R N -0.596 120.010 120.500 0.177 0.000 4.024 1134 R HA -0.209 4.132 4.340 0.001 0.000 0.391 1134 R C -0.281 176.130 176.300 0.184 0.000 1.157 1134 R CA 1.315 57.501 56.100 0.144 0.000 1.215 1134 R CB -1.197 28.941 30.300 -0.270 0.000 1.738 1134 R HN 0.336 nan 8.270 nan 0.000 0.566 1135 D N -0.197 120.358 120.400 0.259 0.000 2.914 1135 D HA 0.104 4.744 4.640 0.001 0.000 0.349 1135 D C -0.997 175.484 176.300 0.301 0.000 1.540 1135 D CA -0.451 53.680 54.000 0.217 0.000 0.778 1135 D CB 0.293 41.096 40.800 0.005 0.000 1.213 1135 D HN 0.046 nan 8.370 nan 0.000 0.451 1136 L N 1.710 123.138 121.223 0.342 0.000 2.462 1136 L HA 0.623 4.963 4.340 0.001 0.000 0.272 1136 L C -0.478 176.435 176.870 0.071 0.000 1.166 1136 L CA 0.345 55.249 54.840 0.107 0.000 0.880 1136 L CB 0.334 42.496 42.059 0.171 0.000 1.142 1136 L HN 0.220 nan 8.230 nan 0.000 0.473 1137 A N 3.927 126.699 122.820 -0.081 0.000 2.597 1137 A HA 0.679 5.000 4.320 0.001 0.000 0.292 1137 A C 0.496 178.015 177.584 -0.108 0.000 1.057 1137 A CA -0.173 51.732 52.037 -0.221 0.000 0.674 1137 A CB 0.305 18.786 19.000 -0.865 0.000 1.278 1137 A HN 1.100 nan 8.150 nan 0.000 0.416 1138 A N 0.997 123.820 122.820 0.004 0.000 1.917 1138 A HA -0.198 4.123 4.320 0.001 0.000 0.219 1138 A C 1.964 179.535 177.584 -0.021 0.000 1.182 1138 A CA 2.306 54.368 52.037 0.041 0.000 0.633 1138 A CB -0.713 18.365 19.000 0.130 0.000 0.819 1138 A HN 1.239 nan 8.150 nan 0.000 0.448 1139 R N -0.769 119.681 120.500 -0.084 0.000 2.200 1139 R HA -0.046 4.295 4.340 0.001 0.000 0.234 1139 R C 0.052 176.297 176.300 -0.091 0.000 1.127 1139 R CA 1.523 57.573 56.100 -0.083 0.000 0.989 1139 R CB -0.478 29.742 30.300 -0.134 0.000 0.869 1139 R HN 0.323 nan 8.270 nan 0.000 0.459 1140 N N 0.317 118.943 118.700 -0.123 0.000 2.558 1140 N HA 0.177 4.917 4.740 0.001 0.000 0.281 1140 N C -1.347 174.083 175.510 -0.134 0.000 1.219 1140 N CA -0.129 52.851 53.050 -0.117 0.000 0.942 1140 N CB 0.689 39.118 38.487 -0.097 0.000 1.241 1140 N HN 0.167 nan 8.380 nan 0.000 0.511 1141 C N 0.434 119.680 119.300 -0.090 0.000 2.888 1141 C HA 0.541 5.001 4.460 0.001 0.000 0.308 1141 C C -0.391 174.570 174.990 -0.048 0.000 1.213 1141 C CA -0.907 58.063 59.018 -0.080 0.000 1.461 1141 C CB 1.737 29.448 27.740 -0.047 0.000 1.934 1141 C HN 0.227 nan 8.230 nan 0.000 0.474 1142 M N 2.127 121.699 119.600 -0.046 0.000 2.598 1142 M HA 0.612 5.092 4.480 0.001 0.000 0.317 1142 M C -0.653 175.617 176.300 -0.050 0.000 1.201 1142 M CA -0.754 54.525 55.300 -0.035 0.000 0.971 1142 M CB 1.502 34.087 32.600 -0.025 0.000 1.657 1142 M HN 0.345 nan 8.290 nan 0.000 0.470 1143 V N 1.693 121.565 119.914 -0.069 0.000 2.349 1143 V HA 0.590 4.711 4.120 0.001 0.000 0.284 1143 V C 0.441 176.479 176.094 -0.093 0.000 1.014 1143 V CA -1.192 61.034 62.300 -0.123 0.000 0.826 1143 V CB 0.831 32.481 31.823 -0.289 0.000 1.009 1143 V HN 1.013 nan 8.190 nan 0.000 0.431 1144 A N 2.970 125.744 122.820 -0.075 0.000 2.409 1144 A HA 0.320 4.641 4.320 0.001 0.000 0.246 1144 A C 1.448 178.961 177.584 -0.119 0.000 1.099 1144 A CA 0.375 52.365 52.037 -0.078 0.000 0.789 1144 A CB 0.190 19.147 19.000 -0.072 0.000 1.053 1144 A HN 0.948 nan 8.150 nan 0.000 0.503 1145 E N 0.434 120.557 120.200 -0.128 0.000 2.118 1145 E HA -0.204 4.147 4.350 0.001 0.000 0.195 1145 E C 0.975 177.327 176.600 -0.414 0.000 0.992 1145 E CA 2.004 58.285 56.400 -0.198 0.000 0.804 1145 E CB -0.109 29.510 29.700 -0.135 0.000 0.741 1145 E HN 0.716 nan 8.360 nan 0.000 0.458 1146 D N -0.816 119.392 120.400 -0.321 0.000 2.352 1146 D HA -0.099 4.541 4.640 0.001 0.000 0.236 1146 D C -0.276 175.841 176.300 -0.305 0.000 1.148 1146 D CA -0.231 53.529 54.000 -0.400 0.000 0.844 1146 D CB -0.558 40.157 40.800 -0.141 0.000 0.933 1146 D HN 0.199 nan 8.370 nan 0.000 0.507 1147 F N -0.817 119.108 119.950 -0.041 0.000 2.953 1147 F HA -0.218 4.309 4.527 0.001 0.000 0.292 1147 F C 0.268 176.030 175.800 -0.064 0.000 0.747 1147 F CA 0.271 58.218 58.000 -0.088 0.000 1.222 1147 F CB -2.921 36.062 39.000 -0.027 0.000 1.457 1147 F HN -0.067 nan 8.300 nan 0.000 0.383 1148 T N 1.380 115.984 114.554 0.083 0.000 2.832 1148 T HA 0.573 4.924 4.350 0.001 0.000 0.296 1148 T C 0.454 175.172 174.700 0.029 0.000 0.968 1148 T CA -0.431 61.718 62.100 0.082 0.000 1.107 1148 T CB 1.826 70.722 68.868 0.047 0.000 0.916 1148 T HN 0.005 nan 8.240 nan 0.000 0.517 1149 V N 5.141 125.085 119.914 0.050 0.000 2.439 1149 V HA 0.429 4.550 4.120 0.001 0.000 0.282 1149 V C 0.151 176.269 176.094 0.040 0.000 1.039 1149 V CA -0.496 61.813 62.300 0.015 0.000 0.913 1149 V CB 1.096 32.926 31.823 0.012 0.000 0.983 1149 V HN 0.761 nan 8.190 nan 0.000 0.460 1150 K N 4.550 124.952 120.400 0.003 0.000 2.422 1150 K HA 0.567 4.887 4.320 0.001 0.000 0.251 1150 K C -1.067 175.513 176.600 -0.034 0.000 0.933 1150 K CA -0.953 55.339 56.287 0.008 0.000 0.798 1150 K CB 2.459 34.945 32.500 -0.024 0.000 1.238 1150 K HN 0.383 nan 8.250 nan 0.000 0.428 1151 I N 2.950 123.489 120.570 -0.053 0.000 2.680 1151 I HA 0.016 4.187 4.170 0.001 0.000 0.286 1151 I C 0.860 176.855 176.117 -0.203 0.000 1.144 1151 I CA 0.634 61.826 61.300 -0.180 0.000 1.370 1151 I CB -0.829 37.033 38.000 -0.230 0.000 1.420 1151 I HN 0.704 nan 8.210 nan 0.000 0.540 1152 G N 4.691 113.340 108.800 -0.252 0.000 2.509 1152 G HA2 0.349 4.309 3.960 0.001 0.000 0.328 1152 G HA3 0.349 4.309 3.960 0.001 0.000 0.328 1152 G C -0.449 174.217 174.900 -0.390 0.000 1.194 1152 G CA -0.327 44.656 45.100 -0.196 0.000 0.967 1152 G HN 0.772 nan 8.290 nan 0.000 0.488 1153 D N -1.266 119.022 120.400 -0.187 0.000 8.931 1153 D HA -0.201 4.439 4.640 0.001 0.000 0.291 1153 D C -0.840 175.215 176.300 -0.408 0.000 2.461 1153 D CA 0.720 54.642 54.000 -0.130 0.000 2.244 1153 D CB -0.381 40.373 40.800 -0.077 0.000 0.968 1153 D HN 0.301 nan 8.370 nan 0.000 0.690 1154 F N 2.035 121.952 119.950 -0.055 0.000 2.815 1154 F HA 0.318 4.845 4.527 0.001 0.000 0.335 1154 F C 2.026 177.714 175.800 -0.186 0.000 1.179 1154 F CA -0.125 57.774 58.000 -0.168 0.000 1.204 1154 F CB 0.778 39.723 39.000 -0.091 0.000 1.050 1154 F HN 0.426 nan 8.300 nan 0.000 0.510 1155 G N 0.718 109.523 108.800 0.009 0.000 2.503 1155 G HA2 -0.280 3.680 3.960 0.001 0.000 0.221 1155 G HA3 -0.280 3.680 3.960 0.001 0.000 0.221 1155 G C 1.435 176.312 174.900 -0.039 0.000 1.131 1155 G CA 1.020 46.141 45.100 0.035 0.000 0.756 1155 G HN 0.354 nan 8.290 nan 0.000 0.572 1156 M N 0.684 120.200 119.600 -0.140 0.000 2.428 1156 M HA 0.118 4.599 4.480 0.001 0.000 0.239 1156 M C 0.453 176.594 176.300 -0.265 0.000 1.121 1156 M CA -0.073 55.111 55.300 -0.195 0.000 1.019 1156 M CB 0.462 32.936 32.600 -0.211 0.000 1.485 1156 M HN -0.091 nan 8.290 nan 0.000 0.484 1157 T N 2.761 117.177 114.554 -0.230 0.000 2.933 1157 T HA 0.078 4.428 4.350 0.001 0.000 0.306 1157 T C 0.268 174.897 174.700 -0.119 0.000 1.045 1157 T CA 0.464 62.477 62.100 -0.146 0.000 1.143 1157 T CB 0.268 69.157 68.868 0.036 0.000 1.003 1157 T HN 0.184 nan 8.240 nan 0.000 0.540 1158 R N 2.259 122.692 120.500 -0.113 0.000 2.604 1158 R HA 0.285 4.626 4.340 0.001 0.000 0.281 1158 R C -0.706 175.634 176.300 0.066 0.000 1.020 1158 R CA -0.862 55.121 56.100 -0.195 0.000 0.899 1158 R CB 1.721 31.474 30.300 -0.910 0.000 1.205 1158 R HN 0.757 nan 8.270 nan 0.000 0.450 1159 D N 3.273 123.738 120.400 0.108 0.000 2.302 1159 D HA 0.192 4.832 4.640 0.001 0.000 0.248 1159 D C 0.309 176.581 176.300 -0.047 0.000 1.094 1159 D CA -0.225 53.733 54.000 -0.070 0.000 0.897 1159 D CB 1.014 41.719 40.800 -0.158 0.000 1.200 1159 D HN 0.601 nan 8.370 nan 0.000 0.429 1160 I N 1.302 121.808 120.570 -0.107 0.000 3.007 1160 I HA 0.139 4.310 4.170 0.001 0.000 0.333 1160 I C 0.044 176.132 176.117 -0.047 0.000 1.489 1160 I CA -0.867 60.416 61.300 -0.029 0.000 0.906 1160 I CB 0.101 38.112 38.000 0.019 0.000 1.702 1160 I HN 0.252 nan 8.210 nan 0.000 0.548 1161 Y N 2.600 122.780 120.300 -0.200 0.000 2.263 1161 Y HA -0.174 4.377 4.550 0.001 0.000 0.292 1161 Y C 2.076 177.908 175.900 -0.114 0.000 1.130 1161 Y CA 2.313 60.310 58.100 -0.172 0.000 1.179 1161 Y CB 0.238 38.583 38.460 -0.191 0.000 0.998 1161 Y HN 0.454 nan 8.280 nan 0.000 0.532 1162 E N -0.226 119.982 120.200 0.014 0.000 2.000 1162 E HA -0.090 4.261 4.350 0.001 0.000 0.199 1162 E C 0.912 177.432 176.600 -0.132 0.000 1.011 1162 E CA 1.643 58.010 56.400 -0.055 0.000 0.836 1162 E CB -0.850 28.828 29.700 -0.036 0.000 0.778 1162 E HN 0.388 nan 8.360 nan 0.000 0.462 1163 T N -2.044 112.414 114.554 -0.160 0.000 2.940 1163 T HA 0.346 4.697 4.350 0.001 0.000 0.288 1163 T C -0.109 174.510 174.700 -0.136 0.000 1.045 1163 T CA -0.837 61.147 62.100 -0.194 0.000 1.018 1163 T CB 1.466 70.082 68.868 -0.421 0.000 1.151 1163 T HN -0.176 nan 8.240 nan 0.000 0.529 1164 D N -0.063 120.314 120.400 -0.039 0.000 2.349 1164 D HA 0.165 4.805 4.640 0.001 0.000 0.224 1164 D C 0.008 176.393 176.300 0.141 0.000 1.029 1164 D CA 0.573 54.596 54.000 0.038 0.000 0.879 1164 D CB -0.242 40.603 40.800 0.076 0.000 0.906 1164 D HN 0.672 nan 8.370 nan 0.000 0.528 1165 Y N -1.442 118.912 120.300 0.089 0.000 2.570 1165 Y HA 0.599 5.149 4.550 0.000 0.000 0.345 1165 Y C -1.494 174.525 175.900 0.199 0.000 1.014 1165 Y CA -1.866 56.318 58.100 0.140 0.000 1.063 1165 Y CB 0.867 39.392 38.460 0.108 0.000 1.272 1165 Y HN -0.157 nan 8.280 nan 0.000 0.477 1166 Y N 2.169 122.700 120.300 0.384 0.000 2.477 1166 Y HA 0.730 5.280 4.550 0.001 0.000 0.347 1166 Y C -1.130 175.034 175.900 0.440 0.000 0.981 1166 Y CA -1.263 57.003 58.100 0.277 0.000 1.033 1166 Y CB 1.773 40.344 38.460 0.184 0.000 1.245 1166 Y HN 0.858 nan 8.280 nan 0.000 0.455 1167 R N 3.923 124.064 120.500 -0.598 0.000 2.803 1167 R HA 0.479 4.820 4.340 0.001 0.000 0.276 1167 R C -1.017 174.943 176.300 -0.566 0.000 0.978 1167 R CA -1.274 54.669 56.100 -0.261 0.000 0.939 1167 R CB 2.182 32.451 30.300 -0.052 0.000 1.179 1167 R HN 0.514 nan 8.270 nan 0.000 0.472 1168 K N -0.165 120.223 120.400 -0.019 0.000 2.316 1168 K HA 0.452 4.772 4.320 0.001 0.000 0.234 1168 K C 0.536 177.173 176.600 0.060 0.000 1.054 1168 K CA -0.471 55.862 56.287 0.078 0.000 0.879 1168 K CB 1.646 34.300 32.500 0.255 0.000 1.252 1168 K HN 0.704 nan 8.250 nan 0.000 0.471 1169 G N -0.434 108.412 108.800 0.076 0.000 2.629 1169 G HA2 0.361 4.322 3.960 0.001 0.000 0.213 1169 G HA3 0.361 4.322 3.960 0.001 0.000 0.213 1169 G C 0.286 175.224 174.900 0.063 0.000 1.425 1169 G CA 0.846 45.980 45.100 0.057 0.000 0.929 1169 G HN 0.868 nan 8.290 nan 0.000 0.527 1175 P HA 0.095 nan 4.420 nan 0.000 0.241 1175 P C 1.249 178.764 177.300 0.359 0.000 1.760 1175 P CA -0.206 63.067 63.100 0.289 0.000 1.081 1175 P CB 0.687 32.543 31.700 0.259 0.000 1.975 1176 V N 3.408 123.461 119.914 0.232 0.000 2.233 1176 V HA -0.333 3.787 4.120 0.001 0.000 0.252 1176 V C 2.477 178.623 176.094 0.087 0.000 1.063 1176 V CA 2.053 64.427 62.300 0.123 0.000 1.032 1176 V CB -1.280 30.568 31.823 0.041 0.000 0.645 1176 V HN 0.441 nan 8.190 nan 0.000 0.446 1177 R N -1.109 119.444 120.500 0.088 0.000 2.355 1177 R HA -0.150 4.190 4.340 0.001 0.000 0.219 1177 R C 1.695 177.880 176.300 -0.192 0.000 1.107 1177 R CA 1.465 57.473 56.100 -0.154 0.000 1.021 1177 R CB -0.278 29.828 30.300 -0.324 0.000 0.852 1177 R HN 0.606 nan 8.270 nan 0.000 0.475 1178 W N -0.064 121.378 121.300 0.235 0.000 2.870 1178 W HA 0.319 4.979 4.660 0.000 0.000 0.358 1178 W C 0.032 176.778 176.519 0.378 0.000 1.043 1178 W CA -0.540 57.004 57.345 0.332 0.000 1.692 1178 W CB 0.353 29.978 29.460 0.275 0.000 1.100 1178 W HN -0.010 nan 8.180 nan 0.000 0.557 1179 M N 1.060 120.863 119.600 0.338 0.000 2.277 1179 M HA 0.127 4.608 4.480 0.001 0.000 0.350 1179 M C 1.132 177.173 176.300 -0.432 0.000 1.180 1179 M CA 0.027 55.377 55.300 0.085 0.000 1.103 1179 M CB 1.496 34.122 32.600 0.044 0.000 1.577 1179 M HN -0.255 nan 8.290 nan 0.000 0.459 1180 S N 2.379 117.612 115.700 -0.778 0.000 2.589 1180 S HA 0.201 4.672 4.470 0.001 0.000 0.265 1180 S C -2.135 171.830 174.600 -1.059 0.000 1.342 1180 S CA -0.969 56.302 58.200 -1.549 0.000 1.005 1180 S CB 0.297 63.005 63.200 -0.819 0.000 0.909 1180 S HN 0.461 nan 8.310 nan 0.000 0.555 1181 P HA -0.150 nan 4.420 nan 0.000 0.216 1181 P C 1.642 178.610 177.300 -0.554 0.000 1.150 1181 P CA 1.452 64.097 63.100 -0.758 0.000 0.837 1181 P CB -0.068 31.026 31.700 -1.009 0.000 0.786 1182 E N -0.743 119.118 120.200 -0.565 0.000 2.152 1182 E HA -0.085 4.265 4.350 0.001 0.000 0.192 1182 E C 1.657 178.027 176.600 -0.383 0.000 0.983 1182 E CA 1.316 57.482 56.400 -0.391 0.000 0.818 1182 E CB -1.052 28.459 29.700 -0.316 0.000 0.758 1182 E HN 0.109 nan 8.360 nan 0.000 0.467 1183 S N 0.901 116.315 115.700 -0.478 0.000 2.428 1183 S HA 0.056 4.526 4.470 0.001 0.000 0.230 1183 S C 2.025 176.373 174.600 -0.421 0.000 1.014 1183 S CA 0.545 58.370 58.200 -0.625 0.000 0.957 1183 S CB -0.115 62.620 63.200 -0.775 0.000 0.784 1183 S HN 0.223 nan 8.310 nan 0.000 0.499 1184 L N 1.012 122.044 121.223 -0.318 0.000 2.068 1184 L HA -0.020 4.320 4.340 0.001 0.000 0.204 1184 L C 2.508 179.286 176.870 -0.153 0.000 1.076 1184 L CA 1.208 55.929 54.840 -0.197 0.000 0.753 1184 L CB -0.420 41.522 42.059 -0.195 0.000 0.910 1184 L HN 0.231 nan 8.230 nan 0.000 0.439 1185 K N 0.032 120.328 120.400 -0.173 0.000 2.007 1185 K HA -0.135 4.185 4.320 0.001 0.000 0.206 1185 K C 0.822 177.353 176.600 -0.115 0.000 1.047 1185 K CA 1.648 57.861 56.287 -0.124 0.000 0.937 1185 K CB 0.197 32.627 32.500 -0.117 0.000 0.718 1185 K HN 0.220 nan 8.250 nan 0.000 0.438 1186 D N -0.946 119.361 120.400 -0.154 0.000 2.440 1186 D HA 0.128 4.769 4.640 0.001 0.000 0.216 1186 D C 0.617 176.837 176.300 -0.134 0.000 1.150 1186 D CA 0.561 54.480 54.000 -0.134 0.000 0.832 1186 D CB 0.850 41.562 40.800 -0.148 0.000 0.992 1186 D HN 0.494 nan 8.370 nan 0.000 0.502 1187 G N 1.147 109.848 108.800 -0.166 0.000 2.256 1187 G HA2 -0.315 3.645 3.960 0.001 0.000 0.279 1187 G HA3 -0.315 3.645 3.960 0.001 0.000 0.279 1187 G C 0.475 175.313 174.900 -0.103 0.000 0.998 1187 G CA 0.493 45.527 45.100 -0.110 0.000 0.720 1187 G HN 0.338 nan 8.290 nan 0.000 0.521 1188 V N 0.987 120.767 119.914 -0.225 0.000 2.364 1188 V HA 0.573 4.693 4.120 0.001 0.000 0.272 1188 V C 0.081 176.089 176.094 -0.144 0.000 1.036 1188 V CA -0.671 61.595 62.300 -0.057 0.000 0.880 1188 V CB 0.631 32.378 31.823 -0.128 0.000 0.991 1188 V HN 0.198 nan 8.190 nan 0.000 0.460 1189 F N 3.519 123.604 119.950 0.226 0.000 2.408 1189 F HA 0.652 5.179 4.527 0.000 0.000 0.344 1189 F C 0.861 176.801 175.800 0.235 0.000 1.112 1189 F CA -0.425 57.712 58.000 0.228 0.000 1.096 1189 F CB 1.718 40.880 39.000 0.270 0.000 1.129 1189 F HN 0.582 nan 8.300 nan 0.000 0.486 1190 T N -2.398 112.340 114.554 0.306 0.000 2.762 1190 T HA 0.255 4.605 4.350 0.001 0.000 0.272 1190 T C 0.712 175.457 174.700 0.075 0.000 0.982 1190 T CA -0.302 61.901 62.100 0.172 0.000 1.013 1190 T CB 1.401 70.381 68.868 0.186 0.000 1.309 1190 T HN 0.455 nan 8.240 nan 0.000 0.572 1191 T N -1.165 113.259 114.554 -0.217 0.000 3.067 1191 T HA 0.115 4.466 4.350 0.001 0.000 0.257 1191 T C 0.969 175.626 174.700 -0.071 0.000 1.105 1191 T CA 0.594 62.627 62.100 -0.111 0.000 1.104 1191 T CB -0.644 68.105 68.868 -0.199 0.000 0.925 1191 T HN 0.573 nan 8.240 nan 0.000 0.498 1192 Y N 1.358 121.757 120.300 0.165 0.000 2.337 1192 Y HA 0.063 4.613 4.550 0.000 0.000 0.293 1192 Y C 2.912 178.930 175.900 0.196 0.000 1.123 1192 Y CA 0.742 58.917 58.100 0.125 0.000 1.201 1192 Y CB -0.889 37.624 38.460 0.088 0.000 1.011 1192 Y HN 0.293 nan 8.280 nan 0.000 0.545 1193 S N -0.150 115.741 115.700 0.319 0.000 2.383 1193 S HA -0.169 4.301 4.470 0.001 0.000 0.227 1193 S C 1.489 176.345 174.600 0.426 0.000 1.026 1193 S CA 1.496 59.880 58.200 0.307 0.000 0.981 1193 S CB -0.400 62.932 63.200 0.221 0.000 0.818 1193 S HN 0.316 nan 8.310 nan 0.000 0.472 1194 D N 1.390 122.037 120.400 0.411 0.000 2.144 1194 D HA 0.004 4.644 4.640 0.001 0.000 0.200 1194 D C 2.057 178.693 176.300 0.560 0.000 0.978 1194 D CA 0.948 55.252 54.000 0.508 0.000 0.833 1194 D CB -0.473 40.643 40.800 0.527 0.000 0.961 1194 D HN 0.357 nan 8.370 nan 0.000 0.470 1195 V N 0.872 120.964 119.914 0.297 0.000 2.515 1195 V HA -0.177 3.944 4.120 0.001 0.000 0.250 1195 V C 2.068 178.364 176.094 0.337 0.000 1.058 1195 V CA 1.081 63.391 62.300 0.016 0.000 1.064 1195 V CB -0.438 31.257 31.823 -0.214 0.000 0.675 1195 V HN 0.390 nan 8.190 nan 0.000 0.461 1196 W N 1.554 123.009 121.300 0.258 0.000 2.348 1196 W HA -0.225 4.436 4.660 0.001 0.000 0.324 1196 W C 2.577 179.363 176.519 0.445 0.000 1.209 1196 W CA 2.206 59.760 57.345 0.348 0.000 1.275 1196 W CB -0.877 28.756 29.460 0.287 0.000 1.175 1196 W HN 0.335 nan 8.180 nan 0.000 0.461 1197 S N 1.313 117.517 115.700 0.839 0.000 2.399 1197 S HA -0.327 4.143 4.470 0.001 0.000 0.235 1197 S C 1.577 176.523 174.600 0.577 0.000 1.063 1197 S CA 2.113 60.758 58.200 0.742 0.000 1.070 1197 S CB -1.368 62.230 63.200 0.663 0.000 0.904 1197 S HN 0.388 nan 8.310 nan 0.000 0.456 1198 F N 2.590 122.762 119.950 0.370 0.000 2.091 1198 F HA -0.123 4.404 4.527 0.001 0.000 0.299 1198 F C 2.320 178.218 175.800 0.164 0.000 1.103 1198 F CA 1.387 59.550 58.000 0.271 0.000 1.228 1198 F CB -1.116 38.048 39.000 0.272 0.000 0.984 1198 F HN 0.217 nan 8.300 nan 0.000 0.477 1199 G N -0.370 108.426 108.800 -0.008 0.000 2.462 1199 G HA2 -0.189 3.771 3.960 0.001 0.000 0.220 1199 G HA3 -0.189 3.771 3.960 0.001 0.000 0.220 1199 G C 1.666 176.604 174.900 0.063 0.000 1.121 1199 G CA 1.172 46.050 45.100 -0.369 0.000 0.758 1199 G HN 0.388 nan 8.290 nan 0.000 0.559 1200 V N 1.111 121.230 119.914 0.342 0.000 2.379 1200 V HA -0.148 3.972 4.120 0.001 0.000 0.245 1200 V C 3.122 179.440 176.094 0.373 0.000 1.044 1200 V CA 1.558 64.081 62.300 0.371 0.000 1.036 1200 V CB -0.231 31.729 31.823 0.228 0.000 0.664 1200 V HN 0.393 nan 8.190 nan 0.000 0.453 1201 V N -1.712 118.375 119.914 0.289 0.000 2.515 1201 V HA -0.184 3.936 4.120 0.001 0.000 0.250 1201 V C 2.203 178.332 176.094 0.059 0.000 1.058 1201 V CA 1.619 64.050 62.300 0.218 0.000 1.064 1201 V CB -0.831 31.070 31.823 0.130 0.000 0.675 1201 V HN 0.433 nan 8.190 nan 0.000 0.461 1202 L N -1.406 119.735 121.223 -0.136 0.000 2.017 1202 L HA -0.149 4.191 4.340 0.001 0.000 0.208 1202 L C 2.482 179.376 176.870 0.039 0.000 1.073 1202 L CA 2.624 57.362 54.840 -0.169 0.000 0.745 1202 L CB -0.572 41.282 42.059 -0.341 0.000 0.894 1202 L HN 0.575 nan 8.230 nan 0.000 0.432 1203 W N 1.284 122.576 121.300 -0.013 0.000 2.338 1203 W HA -0.232 4.428 4.660 0.001 0.000 0.304 1203 W C 2.468 179.012 176.519 0.041 0.000 1.212 1203 W CA 1.801 59.186 57.345 0.068 0.000 1.264 1203 W CB -0.029 29.536 29.460 0.175 0.000 1.142 1203 W HN 0.108 nan 8.180 nan 0.000 0.512 1204 E N -0.050 120.398 120.200 0.414 0.000 2.085 1204 E HA -0.269 4.082 4.350 0.001 0.000 0.194 1204 E C 2.069 178.702 176.600 0.055 0.000 0.994 1204 E CA 1.940 58.513 56.400 0.288 0.000 0.801 1204 E CB -0.476 29.454 29.700 0.383 0.000 0.743 1204 E HN 0.390 nan 8.360 nan 0.000 0.453 1205 I N 0.745 121.333 120.570 0.030 0.000 2.252 1205 I HA -0.238 3.932 4.170 0.001 0.000 0.245 1205 I C 2.497 178.555 176.117 -0.098 0.000 1.102 1205 I CA 0.909 62.197 61.300 -0.020 0.000 1.385 1205 I CB -0.269 37.718 38.000 -0.021 0.000 1.064 1205 I HN 0.071 nan 8.210 nan 0.000 0.414 1206 A N 0.456 123.183 122.820 -0.155 0.000 2.019 1206 A HA -0.172 4.148 4.320 0.001 0.000 0.219 1206 A C 2.195 179.590 177.584 -0.315 0.000 1.164 1206 A CA 2.104 54.009 52.037 -0.221 0.000 0.644 1206 A CB -0.915 17.942 19.000 -0.239 0.000 0.805 1206 A HN 0.532 nan 8.150 nan 0.000 0.449 1207 T N -3.596 110.700 114.554 -0.430 0.000 3.105 1207 T HA 0.452 4.803 4.350 0.001 0.000 0.253 1207 T C 0.503 175.051 174.700 -0.253 0.000 1.047 1207 T CA 0.187 62.004 62.100 -0.472 0.000 0.944 1207 T CB -0.497 67.832 68.868 -0.899 0.000 1.016 1207 T HN 0.540 nan 8.240 nan 0.000 0.544 1208 L N 0.377 121.502 121.223 -0.163 0.000 3.634 1208 L HA -0.257 4.084 4.340 0.001 0.000 0.423 1208 L C 1.009 177.856 176.870 -0.039 0.000 1.253 1208 L CA 0.197 54.983 54.840 -0.089 0.000 0.885 1208 L CB -2.265 39.734 42.059 -0.101 0.000 1.789 1208 L HN 0.734 nan 8.230 nan 0.000 0.904 1209 A N -1.619 121.204 122.820 0.005 0.000 3.061 1209 A HA -0.199 4.121 4.320 0.001 0.000 0.244 1209 A C 0.645 178.312 177.584 0.138 0.000 1.357 1209 A CA 1.380 53.479 52.037 0.103 0.000 0.889 1209 A CB -1.466 17.593 19.000 0.098 0.000 1.092 1209 A HN 0.666 nan 8.150 nan 0.000 0.694 1210 E N -0.076 120.175 120.200 0.085 0.000 2.404 1210 E HA 0.233 4.583 4.350 0.001 0.000 0.261 1210 E C 0.495 177.322 176.600 0.378 0.000 1.074 1210 E CA -0.071 56.425 56.400 0.160 0.000 0.917 1210 E CB 0.354 30.087 29.700 0.056 0.000 0.965 1210 E HN 0.615 nan 8.360 nan 0.000 0.433 1211 Q N 2.527 122.500 119.800 0.287 0.000 2.332 1211 Q HA 0.119 4.460 4.340 0.001 0.000 0.263 1211 Q C -2.314 173.774 176.000 0.146 0.000 0.979 1211 Q CA -1.533 54.415 55.803 0.242 0.000 0.885 1211 Q CB 0.656 29.491 28.738 0.162 0.000 1.218 1211 Q HN 0.115 nan 8.270 nan 0.000 0.405 1212 P HA -0.002 nan 4.420 nan 0.000 0.274 1212 P C -1.461 175.632 177.300 -0.346 0.000 1.237 1212 P CA 0.116 62.809 63.100 -0.678 0.000 0.793 1212 P CB 0.269 31.438 31.700 -0.885 0.000 0.977 1213 Y N -1.448 118.569 120.300 -0.471 0.000 3.001 1213 Y HA -0.252 4.298 4.550 0.001 0.000 0.199 1213 Y C 0.592 176.396 175.900 -0.160 0.000 1.320 1213 Y CA 0.207 58.144 58.100 -0.272 0.000 0.974 1213 Y CB -2.751 35.572 38.460 -0.229 0.000 1.291 1213 Y HN 0.410 nan 8.280 nan 0.000 0.465 1214 Q N 0.599 120.387 119.800 -0.021 0.000 2.304 1214 Q HA 0.277 4.617 4.340 0.001 0.000 0.301 1214 Q C 1.456 177.456 176.000 -0.001 0.000 1.063 1214 Q CA 1.562 57.377 55.803 0.021 0.000 0.947 1214 Q CB 0.467 29.237 28.738 0.052 0.000 1.201 1214 Q HN 0.774 nan 8.270 nan 0.000 0.389 1215 G N 1.931 110.733 108.800 0.004 0.000 2.184 1215 G HA2 -0.282 3.678 3.960 0.001 0.000 0.264 1215 G HA3 -0.282 3.678 3.960 0.001 0.000 0.264 1215 G C -0.066 174.815 174.900 -0.032 0.000 0.975 1215 G CA 0.081 45.173 45.100 -0.014 0.000 0.642 1215 G HN 0.452 nan 8.290 nan 0.000 0.536 1216 L N 1.394 122.598 121.223 -0.032 0.000 2.334 1216 L HA 0.633 4.973 4.340 0.001 0.000 0.275 1216 L C 1.052 177.900 176.870 -0.036 0.000 1.036 1216 L CA -0.401 54.405 54.840 -0.057 0.000 0.807 1216 L CB 1.833 43.838 42.059 -0.090 0.000 1.231 1216 L HN 0.340 nan 8.230 nan 0.000 0.438 1217 S N 0.116 115.789 115.700 -0.044 0.000 2.632 1217 S HA 0.249 4.720 4.470 0.001 0.000 0.271 1217 S C 0.720 175.294 174.600 -0.042 0.000 1.260 1217 S CA -0.889 57.294 58.200 -0.028 0.000 1.010 1217 S CB 1.263 64.450 63.200 -0.023 0.000 0.965 1217 S HN 0.558 nan 8.310 nan 0.000 0.534 1218 N N 1.539 120.224 118.700 -0.024 0.000 2.061 1218 N HA -0.196 4.544 4.740 0.001 0.000 0.193 1218 N C 1.628 177.110 175.510 -0.047 0.000 1.030 1218 N CA 1.843 54.873 53.050 -0.034 0.000 0.856 1218 N CB -0.728 37.762 38.487 0.005 0.000 1.023 1218 N HN 0.876 nan 8.380 nan 0.000 0.424 1219 E N 1.536 121.719 120.200 -0.029 0.000 2.049 1219 E HA -0.192 4.158 4.350 0.001 0.000 0.198 1219 E C 1.879 178.457 176.600 -0.037 0.000 1.007 1219 E CA 1.569 57.953 56.400 -0.027 0.000 0.809 1219 E CB -0.269 29.421 29.700 -0.017 0.000 0.749 1219 E HN 0.418 nan 8.360 nan 0.000 0.450 1220 Q N -0.432 119.342 119.800 -0.043 0.000 2.050 1220 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 1220 Q C 2.379 178.351 176.000 -0.047 0.000 0.980 1220 Q CA 1.748 57.523 55.803 -0.047 0.000 0.840 1220 Q CB -0.174 28.522 28.738 -0.071 0.000 0.898 1220 Q HN 0.238 nan 8.270 nan 0.000 0.424 1221 V N 1.800 121.647 119.914 -0.111 0.000 2.332 1221 V HA -0.281 3.839 4.120 0.001 0.000 0.248 1221 V C 2.302 178.302 176.094 -0.155 0.000 1.055 1221 V CA 1.408 63.578 62.300 -0.217 0.000 1.038 1221 V CB -0.726 30.829 31.823 -0.447 0.000 0.651 1221 V HN 0.435 nan 8.190 nan 0.000 0.450 1222 L N 0.679 121.830 121.223 -0.121 0.000 1.963 1222 L HA -0.264 4.076 4.340 0.001 0.000 0.220 1222 L C 2.712 179.545 176.870 -0.061 0.000 1.076 1222 L CA 2.391 57.173 54.840 -0.096 0.000 0.772 1222 L CB -1.019 41.003 42.059 -0.062 0.000 0.892 1222 L HN 0.328 nan 8.230 nan 0.000 0.435 1223 R N -1.567 118.923 120.500 -0.017 0.000 2.120 1223 R HA -0.205 4.135 4.340 0.001 0.000 0.234 1223 R C 2.117 178.455 176.300 0.064 0.000 1.123 1223 R CA 1.391 57.498 56.100 0.013 0.000 0.975 1223 R CB -0.521 29.792 30.300 0.022 0.000 0.866 1223 R HN 0.324 nan 8.270 nan 0.000 0.446 1224 F N 1.255 121.149 119.950 -0.093 0.000 2.075 1224 F HA -0.185 4.342 4.527 0.001 0.000 0.297 1224 F C 2.075 177.846 175.800 -0.048 0.000 1.113 1224 F CA 1.239 59.195 58.000 -0.073 0.000 1.218 1224 F CB -0.562 38.378 39.000 -0.099 0.000 0.984 1224 F HN -0.298 nan 8.300 nan 0.000 0.472 1225 V N 0.511 120.313 119.914 -0.187 0.000 2.407 1225 V HA -0.342 3.778 4.120 0.001 0.000 0.248 1225 V C 2.544 178.574 176.094 -0.107 0.000 1.055 1225 V CA 2.172 64.338 62.300 -0.224 0.000 1.049 1225 V CB -0.612 31.089 31.823 -0.203 0.000 0.662 1225 V HN 0.381 nan 8.190 nan 0.000 0.455 1226 M N -0.806 118.749 119.600 -0.076 0.000 2.229 1226 M HA -0.125 4.355 4.480 0.001 0.000 0.264 1226 M C 1.970 178.315 176.300 0.075 0.000 1.063 1226 M CA 1.376 56.687 55.300 0.017 0.000 1.114 1226 M CB -0.237 32.348 32.600 -0.025 0.000 1.387 1226 M HN 0.237 nan 8.290 nan 0.000 0.420 1227 E N -0.611 119.570 120.200 -0.031 0.000 2.481 1227 E HA 0.085 4.435 4.350 0.001 0.000 0.195 1227 E C 1.377 177.881 176.600 -0.161 0.000 1.047 1227 E CA 0.778 57.127 56.400 -0.085 0.000 0.867 1227 E CB 0.180 29.853 29.700 -0.045 0.000 0.858 1227 E HN 0.613 nan 8.360 nan 0.000 0.513 1228 G N 0.097 108.818 108.800 -0.131 0.000 2.205 1228 G HA2 -0.160 3.800 3.960 0.001 0.000 0.180 1228 G HA3 -0.160 3.800 3.960 0.001 0.000 0.180 1228 G C 0.693 175.440 174.900 -0.255 0.000 1.004 1228 G CA -0.209 44.815 45.100 -0.126 0.000 0.670 1228 G HN 0.495 nan 8.290 nan 0.000 0.496 1229 G N -0.272 108.123 108.800 -0.675 0.000 2.559 1229 G HA2 0.527 4.488 3.960 0.001 0.000 0.235 1229 G HA3 0.527 4.488 3.960 0.001 0.000 0.235 1229 G C -0.077 174.406 174.900 -0.694 0.000 1.266 1229 G CA 0.305 44.553 45.100 -1.420 0.000 0.847 1229 G HN 0.800 nan 8.290 nan 0.000 0.583 1230 L N -0.214 120.793 121.223 -0.360 0.000 2.409 1230 L HA 0.434 4.774 4.340 0.001 0.000 0.255 1230 L C 0.086 176.867 176.870 -0.148 0.000 1.027 1230 L CA -0.994 53.710 54.840 -0.227 0.000 0.834 1230 L CB 1.989 43.971 42.059 -0.128 0.000 1.426 1230 L HN 0.365 nan 8.230 nan 0.000 0.411 1231 L N 0.185 121.060 121.223 -0.581 0.000 2.475 1231 L HA 0.270 4.611 4.340 0.001 0.000 0.250 1231 L C -0.587 176.276 176.870 -0.011 0.000 1.224 1231 L CA -0.191 54.312 54.840 -0.562 0.000 0.821 1231 L CB 0.326 41.699 42.059 -1.144 0.000 1.141 1231 L HN 0.466 nan 8.230 nan 0.000 0.494 1232 D N -0.354 120.138 120.400 0.154 0.000 2.340 1232 D HA 0.186 4.826 4.640 0.001 0.000 0.240 1232 D C -0.573 175.853 176.300 0.209 0.000 1.001 1232 D CA -0.618 53.519 54.000 0.229 0.000 0.888 1232 D CB 1.761 42.633 40.800 0.120 0.000 1.310 1232 D HN 0.238 nan 8.370 nan 0.000 0.474 1233 K N 1.923 122.149 120.400 -0.289 0.000 2.453 1233 K HA 0.133 4.454 4.320 0.001 0.000 0.280 1233 K C -2.301 174.092 176.600 -0.345 0.000 1.045 1233 K CA -0.805 54.944 56.287 -0.898 0.000 1.059 1233 K CB 0.220 31.713 32.500 -1.678 0.000 0.901 1233 K HN 0.050 nan 8.250 nan 0.000 0.475 1234 P HA 0.006 nan 4.420 nan 0.000 0.272 1234 P C -1.072 176.095 177.300 -0.222 0.000 1.223 1234 P CA -0.266 62.685 63.100 -0.248 0.000 0.784 1234 P CB 0.477 31.923 31.700 -0.422 0.000 0.923 1235 D N 2.140 122.438 120.400 -0.170 0.000 2.531 1235 D HA -0.067 4.573 4.640 0.001 0.000 0.239 1235 D C 0.071 176.288 176.300 -0.138 0.000 1.144 1235 D CA 0.859 54.778 54.000 -0.136 0.000 0.869 1235 D CB -0.513 40.224 40.800 -0.106 0.000 1.160 1235 D HN 0.432 nan 8.370 nan 0.000 0.484 1236 N N 0.604 119.231 118.700 -0.120 0.000 2.667 1236 N HA -0.211 4.529 4.740 0.001 0.000 0.263 1236 N C -0.630 174.812 175.510 -0.113 0.000 1.038 1236 N CA 0.282 53.271 53.050 -0.102 0.000 0.749 1236 N CB -0.991 37.446 38.487 -0.083 0.000 0.892 1236 N HN 0.394 nan 8.380 nan 0.000 0.546 1237 C N 1.172 120.395 119.300 -0.128 0.000 2.351 1237 C HA 0.576 5.037 4.460 0.001 0.000 0.326 1237 C C -2.113 172.835 174.990 -0.069 0.000 1.272 1237 C CA -2.253 56.694 59.018 -0.119 0.000 1.650 1237 C CB 0.423 28.065 27.740 -0.162 0.000 2.257 1237 C HN 0.362 nan 8.230 nan 0.000 0.505 1238 P HA 0.003 nan 4.420 nan 0.000 0.259 1238 P C 0.406 177.716 177.300 0.017 0.000 1.155 1238 P CA 0.808 63.895 63.100 -0.021 0.000 0.759 1238 P CB 0.567 32.251 31.700 -0.026 0.000 0.753 1239 D N 2.825 123.239 120.400 0.023 0.000 2.127 1239 D HA -0.225 4.415 4.640 0.001 0.000 0.190 1239 D C 1.754 178.099 176.300 0.076 0.000 1.000 1239 D CA 2.115 56.153 54.000 0.063 0.000 0.839 1239 D CB -0.529 40.294 40.800 0.039 0.000 0.955 1239 D HN 0.506 nan 8.370 nan 0.000 0.446 1240 M N -0.463 119.153 119.600 0.026 0.000 2.117 1240 M HA -0.086 4.395 4.480 0.001 0.000 0.262 1240 M C 2.039 178.332 176.300 -0.011 0.000 1.065 1240 M CA 1.350 56.650 55.300 -0.000 0.000 1.114 1240 M CB -0.713 31.877 32.600 -0.017 0.000 1.361 1240 M HN 0.002 nan 8.290 nan 0.000 0.408 1241 L N -0.081 121.142 121.223 -0.000 0.000 2.187 1241 L HA -0.099 4.242 4.340 0.001 0.000 0.213 1241 L C 2.180 179.056 176.870 0.010 0.000 1.100 1241 L CA 1.705 56.533 54.840 -0.020 0.000 0.765 1241 L CB -0.924 41.121 42.059 -0.023 0.000 0.904 1241 L HN 0.489 nan 8.230 nan 0.000 0.437 1242 F N -0.288 119.600 119.950 -0.104 0.000 2.317 1242 F HA 0.024 4.552 4.527 0.001 0.000 0.293 1242 F C 2.297 178.019 175.800 -0.131 0.000 1.085 1242 F CA 0.950 58.891 58.000 -0.099 0.000 1.390 1242 F CB -0.130 38.849 39.000 -0.036 0.000 1.077 1242 F HN 0.075 nan 8.300 nan 0.000 0.517 1243 E N 0.589 120.667 120.200 -0.204 0.000 2.338 1243 E HA -0.146 4.205 4.350 0.001 0.000 0.197 1243 E C 2.355 178.776 176.600 -0.298 0.000 1.007 1243 E CA 0.563 56.782 56.400 -0.301 0.000 0.849 1243 E CB -0.406 29.214 29.700 -0.134 0.000 0.774 1243 E HN 0.461 nan 8.360 nan 0.000 0.506 1244 L N -0.169 120.901 121.223 -0.254 0.000 2.131 1244 L HA -0.057 4.283 4.340 0.001 0.000 0.206 1244 L C 2.342 178.959 176.870 -0.422 0.000 1.087 1244 L CA 0.505 55.202 54.840 -0.240 0.000 0.767 1244 L CB -0.024 41.944 42.059 -0.152 0.000 0.917 1244 L HN 0.129 nan 8.230 nan 0.000 0.441 1245 M N -0.815 118.432 119.600 -0.587 0.000 2.066 1245 M HA -0.257 4.224 4.480 0.001 0.000 0.259 1245 M C 2.385 177.916 176.300 -1.281 0.000 1.074 1245 M CA 1.878 56.507 55.300 -1.119 0.000 1.114 1245 M CB -0.432 31.538 32.600 -1.050 0.000 1.306 1245 M HN 0.104 nan 8.290 nan 0.000 0.411 1246 R N -0.306 119.671 120.500 -0.872 0.000 2.139 1246 R HA -0.183 4.158 4.340 0.001 0.000 0.243 1246 R C 2.141 178.248 176.300 -0.323 0.000 1.145 1246 R CA 1.590 57.412 56.100 -0.464 0.000 0.976 1246 R CB -0.400 29.629 30.300 -0.452 0.000 0.866 1246 R HN 0.453 nan 8.270 nan 0.000 0.449 1247 M N -0.471 118.920 119.600 -0.347 0.000 2.065 1247 M HA -0.248 4.232 4.480 0.001 0.000 0.259 1247 M C 2.260 178.451 176.300 -0.181 0.000 1.069 1247 M CA 1.691 56.866 55.300 -0.209 0.000 1.110 1247 M CB -0.098 32.392 32.600 -0.183 0.000 1.328 1247 M HN 0.277 nan 8.290 nan 0.000 0.405 1248 C N -1.049 118.064 119.300 -0.312 0.000 2.456 1248 C HA -0.102 4.358 4.460 0.001 0.000 0.279 1248 C C 0.896 175.816 174.990 -0.116 0.000 1.427 1248 C CA -0.192 58.693 59.018 -0.221 0.000 1.778 1248 C CB -1.313 26.246 27.740 -0.302 0.000 1.842 1248 C HN 0.615 nan 8.230 nan 0.000 0.531 1249 W N 1.804 122.944 121.300 -0.267 0.000 2.220 1249 W HA 0.375 5.036 4.660 0.000 0.000 0.380 1249 W C 0.132 176.650 176.519 -0.002 0.000 0.682 1249 W CA -0.707 56.392 57.345 -0.411 0.000 2.400 1249 W CB -1.035 28.026 29.460 -0.664 0.000 1.825 1249 W HN 0.368 nan 8.180 nan 0.000 0.687 1250 Q N 0.032 120.006 119.800 0.289 0.000 2.243 1250 Q HA 0.051 4.391 4.340 0.001 0.000 0.252 1250 Q C 0.823 177.019 176.000 0.327 0.000 0.909 1250 Q CA -0.482 55.467 55.803 0.243 0.000 0.922 1250 Q CB 1.780 30.593 28.738 0.125 0.000 1.215 1250 Q HN 0.309 nan 8.270 nan 0.000 0.427 1251 Y N 2.651 123.058 120.300 0.178 0.000 2.145 1251 Y HA -0.201 4.349 4.550 0.000 0.000 0.286 1251 Y C 1.146 177.071 175.900 0.041 0.000 1.145 1251 Y CA 1.502 59.669 58.100 0.113 0.000 1.148 1251 Y CB 0.349 38.834 38.460 0.041 0.000 0.981 1251 Y HN 0.588 nan 8.280 nan 0.000 0.507 1252 N N 1.189 119.995 118.700 0.176 0.000 2.406 1252 N HA -0.011 4.729 4.740 0.001 0.000 0.265 1252 N C -2.154 173.332 175.510 -0.040 0.000 1.203 1252 N CA -1.125 51.953 53.050 0.046 0.000 0.945 1252 N CB 1.109 39.621 38.487 0.042 0.000 1.165 1252 N HN 0.108 nan 8.380 nan 0.000 0.485 1253 P HA -0.170 nan 4.420 nan 0.000 0.214 1253 P C 0.826 177.883 177.300 -0.406 0.000 1.163 1253 P CA 1.627 64.605 63.100 -0.203 0.000 0.889 1253 P CB 0.227 31.778 31.700 -0.247 0.000 0.790 1254 K N -1.325 118.746 120.400 -0.548 0.000 2.589 1254 K HA -0.087 4.234 4.320 0.001 0.000 0.195 1254 K C 1.666 178.144 176.600 -0.204 0.000 1.040 1254 K CA 0.929 56.911 56.287 -0.509 0.000 0.950 1254 K CB -0.622 31.675 32.500 -0.339 0.000 0.781 1254 K HN 0.282 nan 8.250 nan 0.000 0.486 1255 M N 0.031 119.555 119.600 -0.126 0.000 2.492 1255 M HA 0.034 4.515 4.480 0.001 0.000 0.255 1255 M C 0.040 176.331 176.300 -0.014 0.000 1.139 1255 M CA 0.406 55.679 55.300 -0.044 0.000 1.096 1255 M CB 0.478 33.071 32.600 -0.012 0.000 1.360 1255 M HN -0.209 nan 8.290 nan 0.000 0.480 1256 R N 2.054 122.554 120.500 0.000 0.000 2.389 1256 R HA 0.227 4.568 4.340 0.001 0.000 0.295 1256 R C -2.280 174.032 176.300 0.019 0.000 1.075 1256 R CA -1.465 54.654 56.100 0.032 0.000 1.005 1256 R CB -0.161 30.202 30.300 0.106 0.000 0.987 1256 R HN 0.126 nan 8.270 nan 0.000 0.452 1257 P HA -0.044 nan 4.420 nan 0.000 0.267 1257 P C -0.611 176.642 177.300 -0.079 0.000 1.200 1257 P CA -0.095 62.985 63.100 -0.034 0.000 0.772 1257 P CB 0.987 32.656 31.700 -0.053 0.000 0.855 1258 S N 1.558 117.233 115.700 -0.040 0.000 2.645 1258 S HA 0.220 4.690 4.470 0.001 0.000 0.266 1258 S C 1.100 175.613 174.600 -0.144 0.000 1.258 1258 S CA -0.429 57.726 58.200 -0.076 0.000 0.990 1258 S CB 0.021 63.262 63.200 0.069 0.000 0.967 1258 S HN 0.250 nan 8.310 nan 0.000 0.556 1259 F N 0.202 120.150 119.950 -0.005 0.000 2.202 1259 F HA -0.026 4.501 4.527 0.000 0.000 0.301 1259 F C 2.104 177.917 175.800 0.021 0.000 1.082 1259 F CA 1.066 59.022 58.000 -0.073 0.000 1.313 1259 F CB -0.550 38.401 39.000 -0.082 0.000 1.024 1259 F HN 0.444 nan 8.300 nan 0.000 0.495 1260 L N -0.323 121.059 121.223 0.265 0.000 2.056 1260 L HA -0.174 4.167 4.340 0.001 0.000 0.207 1260 L C 2.223 179.222 176.870 0.215 0.000 1.078 1260 L CA 1.557 56.577 54.840 0.300 0.000 0.749 1260 L CB -0.724 41.486 42.059 0.252 0.000 0.901 1260 L HN 0.223 nan 8.230 nan 0.000 0.433 1261 E N 0.006 120.277 120.200 0.119 0.000 2.150 1261 E HA -0.182 4.168 4.350 0.001 0.000 0.193 1261 E C 2.203 178.815 176.600 0.021 0.000 0.985 1261 E CA 0.743 57.183 56.400 0.068 0.000 0.814 1261 E CB 0.119 29.843 29.700 0.039 0.000 0.752 1261 E HN 0.374 nan 8.360 nan 0.000 0.466 1262 I N 1.520 122.088 120.570 -0.004 0.000 2.099 1262 I HA -0.282 3.888 4.170 0.001 0.000 0.239 1262 I C 2.521 178.612 176.117 -0.044 0.000 1.066 1262 I CA 1.522 62.806 61.300 -0.027 0.000 1.324 1262 I CB -1.051 36.913 38.000 -0.061 0.000 1.037 1262 I HN 0.148 nan 8.210 nan 0.000 0.401 1263 I N 0.559 121.089 120.570 -0.067 0.000 2.335 1263 I HA -0.246 3.924 4.170 0.001 0.000 0.251 1263 I C 2.451 178.382 176.117 -0.309 0.000 1.129 1263 I CA 1.093 62.253 61.300 -0.232 0.000 1.402 1263 I CB -0.538 37.242 38.000 -0.368 0.000 1.069 1263 I HN 0.132 nan 8.210 nan 0.000 0.424 1264 S N 0.451 116.061 115.700 -0.150 0.000 2.500 1264 S HA -0.118 4.353 4.470 0.001 0.000 0.239 1264 S C 2.073 176.652 174.600 -0.035 0.000 0.989 1264 S CA 1.488 59.664 58.200 -0.041 0.000 0.951 1264 S CB -0.234 63.026 63.200 0.100 0.000 0.759 1264 S HN 0.669 nan 8.310 nan 0.000 0.523 1265 S N 1.163 116.831 115.700 -0.054 0.000 2.492 1265 S HA 0.168 4.638 4.470 0.001 0.000 0.218 1265 S C 1.355 175.921 174.600 -0.056 0.000 1.016 1265 S CA -0.009 58.168 58.200 -0.039 0.000 0.916 1265 S CB -0.400 62.780 63.200 -0.033 0.000 0.791 1265 S HN 0.693 nan 8.310 nan 0.000 0.513 1266 I N -1.281 119.231 120.570 -0.097 0.000 4.240 1266 I HA 0.388 4.559 4.170 0.001 0.000 0.331 1266 I C 1.579 177.603 176.117 -0.155 0.000 1.381 1266 I CA -0.538 60.696 61.300 -0.111 0.000 1.136 1266 I CB 0.090 38.019 38.000 -0.118 0.000 1.137 1266 I HN 0.070 nan 8.210 nan 0.000 0.411 1267 K N 1.502 121.804 120.400 -0.164 0.000 2.089 1267 K HA -0.276 4.044 4.320 0.001 0.000 0.210 1267 K C 1.724 178.321 176.600 -0.006 0.000 1.048 1267 K CA 2.317 58.529 56.287 -0.125 0.000 0.926 1267 K CB -0.437 32.020 32.500 -0.071 0.000 0.714 1267 K HN 0.383 nan 8.250 nan 0.000 0.448 1268 E N 1.556 121.761 120.200 0.009 0.000 2.028 1268 E HA -0.126 4.224 4.350 0.001 0.000 0.191 1268 E C 1.537 178.133 176.600 -0.007 0.000 0.988 1268 E CA 1.504 57.921 56.400 0.029 0.000 0.799 1268 E CB -0.048 29.670 29.700 0.029 0.000 0.755 1268 E HN 0.450 nan 8.360 nan 0.000 0.447 1269 E N -0.248 119.930 120.200 -0.037 0.000 2.510 1269 E HA -0.113 4.238 4.350 0.001 0.000 0.202 1269 E C 0.275 176.831 176.600 -0.074 0.000 1.072 1269 E CA -0.070 56.302 56.400 -0.046 0.000 0.883 1269 E CB -0.052 29.618 29.700 -0.051 0.000 0.818 1269 E HN 0.279 nan 8.360 nan 0.000 0.548 1270 M N 0.750 120.283 119.600 -0.111 0.000 2.114 1270 M HA 0.138 4.618 4.480 0.001 0.000 0.293 1270 M C 0.653 176.922 176.300 -0.052 0.000 1.201 1270 M CA 0.268 55.458 55.300 -0.183 0.000 1.107 1270 M CB 0.456 32.798 32.600 -0.429 0.000 1.405 1270 M HN -0.096 nan 8.290 nan 0.000 0.486 1271 E N 0.608 120.798 120.200 -0.016 0.000 2.342 1271 E HA 0.156 4.506 4.350 0.001 0.000 0.257 1271 E C -1.651 175.034 176.600 0.141 0.000 1.150 1271 E CA -1.552 54.890 56.400 0.069 0.000 0.926 1271 E CB 0.212 29.965 29.700 0.089 0.000 1.074 1271 E HN 0.375 nan 8.360 nan 0.000 0.449 1272 P HA -0.157 nan 4.420 nan 0.000 0.212 1272 P C 1.212 178.592 177.300 0.132 0.000 1.178 1272 P CA 1.374 64.537 63.100 0.104 0.000 0.915 1272 P CB -0.096 31.645 31.700 0.068 0.000 0.788 1273 G N -1.641 107.239 108.800 0.133 0.000 2.564 1273 G HA2 -0.274 3.686 3.960 0.001 0.000 0.216 1273 G HA3 -0.274 3.686 3.960 0.001 0.000 0.216 1273 G C 1.271 176.283 174.900 0.186 0.000 1.124 1273 G CA 0.013 45.185 45.100 0.121 0.000 0.764 1273 G HN 0.130 nan 8.290 nan 0.000 0.550 1274 F N 1.442 121.465 119.950 0.121 0.000 2.046 1274 F HA -0.129 4.399 4.527 0.001 0.000 0.297 1274 F C 2.649 178.596 175.800 0.244 0.000 1.123 1274 F CA 1.963 60.086 58.000 0.204 0.000 1.199 1274 F CB -0.329 38.796 39.000 0.209 0.000 0.972 1274 F HN 0.143 nan 8.300 nan 0.000 0.474 1275 R N 0.367 120.962 120.500 0.158 0.000 2.117 1275 R HA -0.221 4.120 4.340 0.001 0.000 0.243 1275 R C 2.147 178.402 176.300 -0.075 0.000 1.143 1275 R CA 2.175 58.239 56.100 -0.059 0.000 0.968 1275 R CB -0.371 29.664 30.300 -0.442 0.000 0.863 1275 R HN 0.489 nan 8.270 nan 0.000 0.444 1276 E N -0.614 119.549 120.200 -0.062 0.000 2.106 1276 E HA -0.141 4.210 4.350 0.001 0.000 0.192 1276 E C 1.820 178.359 176.600 -0.102 0.000 0.984 1276 E CA 1.652 58.008 56.400 -0.075 0.000 0.806 1276 E CB 0.222 29.882 29.700 -0.066 0.000 0.750 1276 E HN 0.384 nan 8.360 nan 0.000 0.458 1277 V N -0.782 119.055 119.914 -0.129 0.000 3.523 1277 V HA 0.063 4.184 4.120 0.001 0.000 0.255 1277 V C 1.071 177.098 176.094 -0.112 0.000 1.226 1277 V CA -0.061 62.118 62.300 -0.201 0.000 1.092 1277 V CB 0.001 31.557 31.823 -0.445 0.000 0.817 1277 V HN 0.088 nan 8.190 nan 0.000 0.458 1278 S N 0.886 116.486 115.700 -0.167 0.000 2.549 1278 S HA 0.132 4.603 4.470 0.001 0.000 0.286 1278 S C 0.691 175.302 174.600 0.019 0.000 1.314 1278 S CA 0.037 58.122 58.200 -0.192 0.000 1.062 1278 S CB 0.310 62.778 63.200 -1.220 0.000 0.865 1278 S HN 0.488 nan 8.310 nan 0.000 0.498 1279 F N 3.714 123.697 119.950 0.054 0.000 2.293 1279 F HA -0.053 4.474 4.527 0.000 0.000 0.300 1279 F C 1.738 177.589 175.800 0.085 0.000 1.086 1279 F CA 1.080 59.133 58.000 0.089 0.000 1.375 1279 F CB -0.689 38.415 39.000 0.173 0.000 1.045 1279 F HN 0.834 nan 8.300 nan 0.000 0.516 1280 Y N 0.072 120.206 120.300 -0.277 0.000 2.081 1280 Y HA -0.361 4.189 4.550 0.001 0.000 0.280 1280 Y C 1.968 177.588 175.900 -0.467 0.000 1.163 1280 Y CA 2.551 60.390 58.100 -0.435 0.000 1.135 1280 Y CB -0.926 37.347 38.460 -0.311 0.000 0.970 1280 Y HN 0.178 nan 8.280 nan 0.000 0.498 1281 Y N -0.562 119.668 120.300 -0.117 0.000 2.475 1281 Y HA 0.009 4.559 4.550 0.001 0.000 0.289 1281 Y C 1.920 177.709 175.900 -0.186 0.000 1.121 1281 Y CA 0.383 58.399 58.100 -0.140 0.000 1.257 1281 Y CB -0.338 38.104 38.460 -0.029 0.000 1.026 1281 Y HN -0.023 nan 8.280 nan 0.000 0.555 1282 S N 0.574 116.235 115.700 -0.064 0.000 2.553 1282 S HA -0.139 4.332 4.470 0.001 0.000 0.271 1282 S C 1.557 176.109 174.600 -0.080 0.000 1.362 1282 S CA -0.230 57.937 58.200 -0.055 0.000 1.010 1282 S CB 0.569 63.763 63.200 -0.010 0.000 0.865 1282 S HN 0.339 nan 8.310 nan 0.000 0.543 1283 E N 1.367 121.556 120.200 -0.020 0.000 2.106 1283 E HA -0.121 4.229 4.350 0.001 0.000 0.192 1283 E C 1.749 178.348 176.600 -0.002 0.000 0.984 1283 E CA 0.855 57.248 56.400 -0.012 0.000 0.806 1283 E CB -0.345 29.363 29.700 0.013 0.000 0.750 1283 E HN 0.842 nan 8.360 nan 0.000 0.458 1284 E N 0.834 121.068 120.200 0.055 0.000 2.501 1284 E HA -0.155 4.196 4.350 0.001 0.000 0.203 1284 E C 0.457 177.123 176.600 0.109 0.000 1.072 1284 E CA 0.271 56.760 56.400 0.148 0.000 0.885 1284 E CB 0.098 29.994 29.700 0.326 0.000 0.813 1284 E HN -0.019 nan 8.360 nan 0.000 0.556 1285 N N 0.000 118.631 118.700 -0.116 0.000 1.763 1285 N HA 0.000 4.740 4.740 0.001 0.000 0.220 1285 N CA 0.000 52.907 53.050 -0.238 0.000 0.885 1285 N CB 0.000 38.022 38.487 -0.776 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667