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 1wyv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDYTPHTEEE IREMLRRVGA ASLEDLFAHL PKEILSPPID LPEPLPEWKV DATA SEQUENCE LEELRRLAAQ NLPAHKAFLG GGVRSHHVPP VVQALAARGE FLTAYTPYQP DATA SEQUENCE EVSQGVLQAT FEYQTMIAEL AGLEIANASM YDGATALAEG VLLALRETGR DATA SEQUENCE MGVLVSQGVH PEYRAVLRAY LEAVGAKLLT LPLEGGRTPL PEVGEEVGAV DATA SEQUENCE VVQNPNFLGA LEDLGPFAEA AHGAGALFVA VADPLSLGVL KPPGAYGADI DATA SEQUENCE AVGDGQSLGL PMGFGGPHFG FLATKKAFVR QLPGRLVSET VDVEGRRGFI DATA SEQUENCE LTLQAREQYI RRAKAKSNIT TNAQLTALMG AMYLAALGPE GLREVALKSV DATA SEQUENCE EMAHKLHALL LEVPGVRPFT PKPFFNEFAL ALPKDPEAVR RALAERGFHG DATA SEQUENCE ATPVPREYGE NLALFAATEL HEEEDLLALR EALKEVL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.162 176.300 -0.230 0.000 1.140 1 M CA 0.000 55.202 55.300 -0.163 0.000 0.988 1 M CB 0.000 32.489 32.600 -0.184 0.000 1.302 2 D N -0.426 119.773 120.400 -0.335 0.000 2.713 2 D HA 0.392 5.032 4.640 -0.000 0.000 0.306 2 D C -1.317 174.646 176.300 -0.563 0.000 1.299 2 D CA -0.283 53.475 54.000 -0.404 0.000 0.823 2 D CB 0.975 41.694 40.800 -0.135 0.000 1.353 2 D HN 0.611 nan 8.370 nan 0.000 0.447 3 Y N -0.500 119.815 120.300 0.025 0.000 2.681 3 Y HA 0.304 4.854 4.550 -0.000 0.000 0.267 3 Y C 0.901 176.834 175.900 0.055 0.000 1.166 3 Y CA -0.506 57.614 58.100 0.033 0.000 1.209 3 Y CB 0.958 39.434 38.460 0.026 0.000 1.161 3 Y HN 0.177 nan 8.280 nan 0.000 0.534 4 T N 4.028 118.666 114.554 0.140 0.000 2.832 4 T HA 0.112 4.462 4.350 -0.000 0.000 0.296 4 T C -1.101 173.713 174.700 0.190 0.000 0.968 4 T CA -1.080 61.135 62.100 0.192 0.000 1.107 4 T CB 0.979 69.928 68.868 0.135 0.000 0.916 4 T HN 0.210 nan 8.240 nan 0.000 0.517 5 P HA 0.065 nan 4.420 nan 0.000 0.234 5 P C -0.215 177.111 177.300 0.044 0.000 1.175 5 P CA 0.178 63.313 63.100 0.058 0.000 0.801 5 P CB 0.100 31.769 31.700 -0.052 0.000 0.891 6 H N 1.644 120.726 119.070 0.020 0.000 3.125 6 H HA 0.142 4.698 4.556 -0.000 0.000 0.310 6 H C 1.161 176.496 175.328 0.012 0.000 0.980 6 H CA 0.489 56.547 56.048 0.016 0.000 1.422 6 H CB -0.420 29.353 29.762 0.018 0.000 1.432 6 H HN 0.139 nan 8.280 nan 0.000 0.577 7 T N -0.681 113.935 114.554 0.104 0.000 2.881 7 T HA 0.124 4.474 4.350 -0.000 0.000 0.278 7 T C 1.347 176.089 174.700 0.070 0.000 0.982 7 T CA -0.909 61.230 62.100 0.065 0.000 0.989 7 T CB 1.556 70.445 68.868 0.035 0.000 1.058 7 T HN 0.609 nan 8.240 nan 0.000 0.529 8 E N 0.669 120.897 120.200 0.046 0.000 2.110 8 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 8 E C 1.986 178.608 176.600 0.037 0.000 0.988 8 E CA 1.590 58.013 56.400 0.039 0.000 0.804 8 E CB -0.270 29.446 29.700 0.026 0.000 0.745 8 E HN 0.744 nan 8.360 nan 0.000 0.458 9 E N 0.682 120.901 120.200 0.031 0.000 2.106 9 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 9 E C 1.880 178.499 176.600 0.032 0.000 0.984 9 E CA 1.198 57.614 56.400 0.026 0.000 0.806 9 E CB -0.431 29.279 29.700 0.018 0.000 0.750 9 E HN 0.527 nan 8.360 nan 0.000 0.458 10 E N 0.920 121.146 120.200 0.043 0.000 2.072 10 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 10 E C 2.376 179.021 176.600 0.075 0.000 0.982 10 E CA 0.673 57.103 56.400 0.051 0.000 0.803 10 E CB -0.179 29.550 29.700 0.048 0.000 0.755 10 E HN 0.222 nan 8.360 nan 0.000 0.453 11 I N 0.879 121.503 120.570 0.090 0.000 2.226 11 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 11 I C 2.668 178.812 176.117 0.044 0.000 1.100 11 I CA 0.971 62.316 61.300 0.075 0.000 1.374 11 I CB -0.165 37.866 38.000 0.052 0.000 1.057 11 I HN 0.005 nan 8.210 nan 0.000 0.413 12 R N 1.049 121.571 120.500 0.036 0.000 2.094 12 R HA -0.251 4.089 4.340 -0.000 0.000 0.239 12 R C 2.262 178.575 176.300 0.022 0.000 1.137 12 R CA 2.082 58.197 56.100 0.025 0.000 0.943 12 R CB -0.323 29.989 30.300 0.021 0.000 0.850 12 R HN 0.373 nan 8.270 nan 0.000 0.433 13 E N -0.340 119.874 120.200 0.024 0.000 2.051 13 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 13 E C 1.955 178.566 176.600 0.019 0.000 0.991 13 E CA 1.657 58.068 56.400 0.019 0.000 0.799 13 E CB -0.057 29.654 29.700 0.017 0.000 0.748 13 E HN 0.353 nan 8.360 nan 0.000 0.449 14 M N 0.100 119.718 119.600 0.030 0.000 2.108 14 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 14 M C 2.275 178.585 176.300 0.016 0.000 1.066 14 M CA 0.900 56.218 55.300 0.030 0.000 1.107 14 M CB -0.196 32.438 32.600 0.056 0.000 1.356 14 M HN 0.188 nan 8.290 nan 0.000 0.406 15 L N 0.137 121.370 121.223 0.017 0.000 2.042 15 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 15 L C 2.499 179.370 176.870 0.002 0.000 1.076 15 L CA 1.909 56.753 54.840 0.007 0.000 0.749 15 L CB -0.804 41.262 42.059 0.012 0.000 0.893 15 L HN 0.158 nan 8.230 nan 0.000 0.432 16 R N -1.275 119.228 120.500 0.005 0.000 2.075 16 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 16 R C 2.344 178.642 176.300 -0.003 0.000 1.126 16 R CA 0.977 57.078 56.100 0.001 0.000 0.963 16 R CB -0.233 30.069 30.300 0.004 0.000 0.858 16 R HN 0.077 nan 8.270 nan 0.000 0.435 17 R N 0.139 120.639 120.500 -0.001 0.000 2.096 17 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 17 R C 1.666 177.959 176.300 -0.011 0.000 1.127 17 R CA 1.757 57.854 56.100 -0.004 0.000 0.968 17 R CB -0.328 29.971 30.300 -0.000 0.000 0.861 17 R HN 0.292 nan 8.270 nan 0.000 0.440 18 V N -3.156 116.749 119.914 -0.014 0.000 3.649 18 V HA 0.391 4.510 4.120 -0.000 0.000 0.275 18 V C 1.018 177.094 176.094 -0.031 0.000 1.281 18 V CA 0.422 62.706 62.300 -0.026 0.000 1.143 18 V CB -0.309 31.494 31.823 -0.034 0.000 0.892 18 V HN 0.383 nan 8.190 nan 0.000 0.441 19 G N 0.002 108.789 108.800 -0.021 0.000 2.198 19 G HA2 0.035 3.994 3.960 -0.000 0.000 0.257 19 G HA3 0.035 3.994 3.960 -0.000 0.000 0.257 19 G C 0.128 175.016 174.900 -0.020 0.000 1.042 19 G CA 0.314 45.402 45.100 -0.020 0.000 0.791 19 G HN 1.669 nan 8.290 nan 0.000 0.502 20 A N -0.897 121.914 122.820 -0.016 0.000 2.340 20 A HA 0.974 5.294 4.320 -0.000 0.000 0.331 20 A C 1.068 178.653 177.584 0.002 0.000 1.140 20 A CA 0.411 52.442 52.037 -0.009 0.000 0.801 20 A CB 1.505 20.496 19.000 -0.016 0.000 1.234 20 A HN 1.656 nan 8.150 nan 0.000 0.469 21 A N 1.055 123.881 122.820 0.010 0.000 2.072 21 A HA 0.458 4.778 4.320 -0.000 0.000 0.216 21 A C 1.077 178.672 177.584 0.019 0.000 1.156 21 A CA 1.455 53.500 52.037 0.014 0.000 0.701 21 A CB -0.384 18.625 19.000 0.015 0.000 0.816 21 A HN 1.995 nan 8.150 nan 0.000 0.458 22 S N -3.255 112.461 115.700 0.027 0.000 2.636 22 S HA 0.469 4.939 4.470 -0.000 0.000 0.268 22 S C 0.110 174.740 174.600 0.051 0.000 1.159 22 S CA -0.486 57.735 58.200 0.034 0.000 0.815 22 S CB 0.077 63.299 63.200 0.037 0.000 1.130 22 S HN -0.034 nan 8.310 nan 0.000 0.471 23 L N 1.940 123.200 121.223 0.061 0.000 2.046 23 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 23 L C 2.809 179.796 176.870 0.196 0.000 1.077 23 L CA 2.616 57.516 54.840 0.100 0.000 0.747 23 L CB -1.486 40.622 42.059 0.083 0.000 0.896 23 L HN 1.022 nan 8.230 nan 0.000 0.432 24 E N -1.326 118.970 120.200 0.159 0.000 2.204 24 E HA -0.264 4.085 4.350 -0.000 0.000 0.194 24 E C 1.595 178.333 176.600 0.230 0.000 0.989 24 E CA 1.277 57.803 56.400 0.209 0.000 0.824 24 E CB -0.427 29.328 29.700 0.092 0.000 0.756 24 E HN 0.413 nan 8.360 nan 0.000 0.477 25 D N 0.805 121.286 120.400 0.135 0.000 2.309 25 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 25 D C 1.798 178.151 176.300 0.088 0.000 0.968 25 D CA 0.700 54.760 54.000 0.099 0.000 0.882 25 D CB -0.041 40.791 40.800 0.053 0.000 0.918 25 D HN 0.287 nan 8.370 nan 0.000 0.503 26 L N -0.953 120.303 121.223 0.055 0.000 2.362 26 L HA -0.049 4.291 4.340 -0.000 0.000 0.219 26 L C 0.910 177.624 176.870 -0.260 0.000 1.134 26 L CA 0.481 55.229 54.840 -0.153 0.000 0.807 26 L CB -0.205 41.654 42.059 -0.332 0.000 0.927 26 L HN 0.062 nan 8.230 nan 0.000 0.447 27 F N -1.325 118.677 119.950 0.087 0.000 2.654 27 F HA 0.316 4.843 4.527 -0.000 0.000 0.303 27 F C 2.030 177.829 175.800 -0.001 0.000 1.099 27 F CA 0.069 58.079 58.000 0.017 0.000 1.270 27 F CB -0.383 38.597 39.000 -0.033 0.000 1.024 27 F HN -0.111 nan 8.300 nan 0.000 0.548 28 A N 0.380 123.335 122.820 0.225 0.000 2.024 28 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 28 A C 2.021 179.693 177.584 0.147 0.000 1.164 28 A CA 1.961 54.091 52.037 0.156 0.000 0.643 28 A CB -1.035 18.041 19.000 0.126 0.000 0.806 28 A HN 0.583 nan 8.150 nan 0.000 0.451 29 H N -0.803 118.286 119.070 0.032 0.000 2.547 29 H HA 0.289 4.845 4.556 -0.000 0.000 0.266 29 H C 0.417 175.766 175.328 0.034 0.000 0.988 29 H CA -0.134 55.927 56.048 0.020 0.000 1.147 29 H CB -0.845 28.916 29.762 -0.002 0.000 1.365 29 H HN 0.352 nan 8.280 nan 0.000 0.589 30 L N 2.965 124.028 121.223 -0.266 0.000 2.436 30 L HA 0.245 4.585 4.340 -0.000 0.000 0.265 30 L C -1.835 175.000 176.870 -0.057 0.000 1.168 30 L CA -1.922 52.806 54.840 -0.187 0.000 0.815 30 L CB 0.479 42.466 42.059 -0.120 0.000 1.109 30 L HN 0.035 nan 8.230 nan 0.000 0.462 31 P HA 0.032 nan 4.420 nan 0.000 0.264 31 P C -0.382 176.911 177.300 -0.012 0.000 1.193 31 P CA -0.247 62.844 63.100 -0.015 0.000 0.763 31 P CB 0.729 32.422 31.700 -0.013 0.000 0.810 32 K N 2.472 122.870 120.400 -0.003 0.000 2.160 32 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 32 K C 1.887 178.481 176.600 -0.010 0.000 1.047 32 K CA 1.686 57.971 56.287 -0.003 0.000 0.930 32 K CB -0.389 32.113 32.500 0.003 0.000 0.720 32 K HN 0.585 nan 8.250 nan 0.000 0.450 33 E N 0.943 121.136 120.200 -0.010 0.000 2.204 33 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 33 E C 1.801 178.389 176.600 -0.019 0.000 0.989 33 E CA 1.243 57.635 56.400 -0.013 0.000 0.824 33 E CB -0.422 29.272 29.700 -0.010 0.000 0.756 33 E HN 0.629 nan 8.360 nan 0.000 0.477 34 I N -1.553 119.004 120.570 -0.022 0.000 3.728 34 I HA 0.181 4.351 4.170 -0.000 0.000 0.307 34 I C 1.035 177.128 176.117 -0.041 0.000 1.276 34 I CA -0.303 60.980 61.300 -0.029 0.000 1.285 34 I CB -0.014 37.970 38.000 -0.027 0.000 1.038 34 I HN -0.148 nan 8.210 nan 0.000 0.445 35 L N 1.342 122.541 121.223 -0.040 0.000 2.476 35 L HA 0.176 4.516 4.340 -0.000 0.000 0.255 35 L C 1.051 177.885 176.870 -0.061 0.000 1.218 35 L CA -0.057 54.748 54.840 -0.058 0.000 0.819 35 L CB 0.632 42.667 42.059 -0.040 0.000 1.119 35 L HN 0.276 nan 8.230 nan 0.000 0.485 36 S N 0.029 115.679 115.700 -0.082 0.000 3.631 36 S HA -0.096 4.374 4.470 -0.000 0.000 0.366 36 S C -2.038 172.525 174.600 -0.061 0.000 0.993 36 S CA -0.208 57.949 58.200 -0.072 0.000 1.167 36 S CB -1.759 61.411 63.200 -0.050 0.000 0.909 36 S HN 0.505 nan 8.310 nan 0.000 0.478 37 P HA 0.295 nan 4.420 nan 0.000 0.276 37 P C -2.488 174.782 177.300 -0.050 0.000 1.230 37 P CA -1.244 61.823 63.100 -0.054 0.000 0.776 37 P CB 0.139 31.805 31.700 -0.057 0.000 0.888 38 P HA 0.321 nan 4.420 nan 0.000 0.266 38 P C -0.287 176.992 177.300 -0.034 0.000 1.586 38 P CA -0.033 63.046 63.100 -0.036 0.000 1.088 38 P CB 0.143 31.826 31.700 -0.029 0.000 1.584 39 I N 2.351 122.897 120.570 -0.039 0.000 2.365 39 I HA 0.169 4.339 4.170 -0.000 0.000 0.291 39 I C 0.551 176.649 176.117 -0.032 0.000 1.004 39 I CA -0.355 60.924 61.300 -0.036 0.000 1.311 39 I CB 1.000 38.975 38.000 -0.042 0.000 1.401 39 I HN 0.189 nan 8.210 nan 0.000 0.491 40 D N 6.915 127.299 120.400 -0.027 0.000 2.396 40 D HA 0.525 5.165 4.640 -0.000 0.000 0.225 40 D C -1.207 175.078 176.300 -0.025 0.000 1.121 40 D CA -0.159 53.826 54.000 -0.025 0.000 0.853 40 D CB 0.701 41.489 40.800 -0.021 0.000 1.043 40 D HN 0.106 nan 8.370 nan 0.000 0.500 41 L N 4.655 125.862 121.223 -0.027 0.000 2.409 41 L HA 0.565 4.905 4.340 -0.000 0.000 0.262 41 L C -2.020 174.833 176.870 -0.029 0.000 0.992 41 L CA -1.949 52.875 54.840 -0.027 0.000 0.817 41 L CB 1.680 43.722 42.059 -0.028 0.000 1.350 41 L HN 0.414 nan 8.230 nan 0.000 0.411 42 P HA 0.176 nan 4.420 nan 0.000 0.272 42 P C -0.624 176.653 177.300 -0.038 0.000 1.223 42 P CA -0.502 62.578 63.100 -0.033 0.000 0.784 42 P CB 0.601 32.279 31.700 -0.035 0.000 0.923 43 E N 2.192 122.368 120.200 -0.040 0.000 2.437 43 E HA 0.080 4.430 4.350 -0.000 0.000 0.263 43 E C -1.628 174.937 176.600 -0.057 0.000 1.030 43 E CA -1.064 55.309 56.400 -0.044 0.000 0.934 43 E CB -0.649 29.027 29.700 -0.040 0.000 0.943 43 E HN 0.432 nan 8.360 nan 0.000 0.444 44 P HA 0.098 nan 4.420 nan 0.000 0.268 44 P C -0.434 176.804 177.300 -0.104 0.000 1.208 44 P CA 0.243 63.297 63.100 -0.076 0.000 0.777 44 P CB 0.610 32.268 31.700 -0.071 0.000 0.875 45 L N 2.331 123.471 121.223 -0.137 0.000 2.409 45 L HA 0.461 4.801 4.340 -0.000 0.000 0.262 45 L C -2.286 174.426 176.870 -0.263 0.000 0.992 45 L CA -2.465 52.246 54.840 -0.214 0.000 0.817 45 L CB 2.518 44.433 42.059 -0.239 0.000 1.350 45 L HN 0.254 nan 8.230 nan 0.000 0.411 46 P HA 0.059 nan 4.420 nan 0.000 0.272 46 P C 0.097 177.132 177.300 -0.441 0.000 1.230 46 P CA -0.357 62.522 63.100 -0.369 0.000 0.788 46 P CB 0.662 32.140 31.700 -0.370 0.000 0.949 47 E N 2.153 122.231 120.200 -0.204 0.000 2.130 47 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 47 E C 1.737 178.281 176.600 -0.094 0.000 0.998 47 E CA 1.307 57.650 56.400 -0.094 0.000 0.806 47 E CB -0.913 28.811 29.700 0.040 0.000 0.738 47 E HN 0.638 nan 8.360 nan 0.000 0.459 48 W N 1.993 123.299 121.300 0.011 0.000 2.402 48 W HA 0.029 4.689 4.660 -0.000 0.000 0.286 48 W C 1.716 178.238 176.519 0.006 0.000 1.221 48 W CA 0.944 58.294 57.345 0.009 0.000 1.257 48 W CB -0.543 28.920 29.460 0.006 0.000 1.120 48 W HN 0.012 nan 8.180 nan 0.000 0.551 49 K N 1.658 121.431 120.400 -1.044 0.000 2.155 49 K HA -0.050 4.269 4.320 -0.000 0.000 0.203 49 K C 1.939 178.334 176.600 -0.342 0.000 1.052 49 K CA 1.659 57.430 56.287 -0.861 0.000 0.948 49 K CB -0.691 31.057 32.500 -1.253 0.000 0.728 49 K HN 0.046 nan 8.250 nan 0.000 0.448 50 V N 1.077 120.817 119.914 -0.290 0.000 2.295 50 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 50 V C 2.304 178.357 176.094 -0.068 0.000 1.049 50 V CA 1.717 63.930 62.300 -0.145 0.000 1.024 50 V CB -0.400 31.359 31.823 -0.107 0.000 0.648 50 V HN 0.282 nan 8.190 nan 0.000 0.447 51 L N -0.138 121.065 121.223 -0.032 0.000 2.042 51 L HA -0.242 4.097 4.340 -0.000 0.000 0.210 51 L C 2.629 179.516 176.870 0.028 0.000 1.076 51 L CA 2.139 56.990 54.840 0.019 0.000 0.749 51 L CB -0.518 41.579 42.059 0.063 0.000 0.893 51 L HN 0.478 nan 8.230 nan 0.000 0.432 52 E N -0.036 120.191 120.200 0.046 0.000 2.085 52 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 52 E C 2.017 178.629 176.600 0.021 0.000 0.994 52 E CA 1.272 57.711 56.400 0.065 0.000 0.801 52 E CB 0.157 29.931 29.700 0.123 0.000 0.743 52 E HN 0.341 nan 8.360 nan 0.000 0.453 53 E N 0.295 120.486 120.200 -0.015 0.000 2.106 53 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 53 E C 2.090 178.679 176.600 -0.017 0.000 0.984 53 E CA 0.463 56.849 56.400 -0.023 0.000 0.806 53 E CB -0.129 29.543 29.700 -0.046 0.000 0.750 53 E HN 0.306 nan 8.360 nan 0.000 0.458 54 L N 0.491 121.705 121.223 -0.015 0.000 2.083 54 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 54 L C 2.396 179.261 176.870 -0.008 0.000 1.083 54 L CA 1.303 56.135 54.840 -0.014 0.000 0.752 54 L CB -0.978 41.076 42.059 -0.009 0.000 0.899 54 L HN 0.052 nan 8.230 nan 0.000 0.433 55 R N -0.324 120.178 120.500 0.004 0.000 2.081 55 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 55 R C 2.418 178.720 176.300 0.003 0.000 1.131 55 R CA 1.216 57.321 56.100 0.009 0.000 0.960 55 R CB -0.115 30.200 30.300 0.024 0.000 0.856 55 R HN 0.254 nan 8.270 nan 0.000 0.436 56 R N -0.159 120.344 120.500 0.004 0.000 2.120 56 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 56 R C 2.166 178.460 176.300 -0.010 0.000 1.123 56 R CA 1.230 57.330 56.100 0.001 0.000 0.975 56 R CB -0.305 29.997 30.300 0.002 0.000 0.866 56 R HN 0.237 nan 8.270 nan 0.000 0.446 57 L N -0.243 120.969 121.223 -0.017 0.000 2.072 57 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 57 L C 2.627 179.475 176.870 -0.036 0.000 1.079 57 L CA 1.013 55.835 54.840 -0.030 0.000 0.752 57 L CB -0.488 41.548 42.059 -0.037 0.000 0.906 57 L HN 0.213 nan 8.230 nan 0.000 0.436 58 A N 0.065 122.867 122.820 -0.029 0.000 1.972 58 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 58 A C 2.453 180.026 177.584 -0.019 0.000 1.169 58 A CA 1.531 53.550 52.037 -0.030 0.000 0.635 58 A CB -0.594 18.395 19.000 -0.019 0.000 0.810 58 A HN 0.392 nan 8.150 nan 0.000 0.446 59 A N -0.850 121.964 122.820 -0.010 0.000 2.067 59 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 59 A C 1.985 179.566 177.584 -0.005 0.000 1.158 59 A CA 1.412 53.447 52.037 -0.003 0.000 0.661 59 A CB -0.412 18.588 19.000 0.001 0.000 0.801 59 A HN 0.662 nan 8.150 nan 0.000 0.452 60 Q N -0.008 119.784 119.800 -0.013 0.000 2.378 60 Q HA -0.002 4.338 4.340 -0.000 0.000 0.205 60 Q C -0.253 175.739 176.000 -0.012 0.000 0.954 60 Q CA 0.187 55.982 55.803 -0.013 0.000 0.901 60 Q CB 0.065 28.790 28.738 -0.022 0.000 0.981 60 Q HN 0.593 nan 8.270 nan 0.000 0.483 61 N N 0.551 119.240 118.700 -0.018 0.000 2.492 61 N HA 0.232 4.972 4.740 -0.000 0.000 0.289 61 N C -1.064 174.466 175.510 0.034 0.000 1.133 61 N CA -0.296 52.749 53.050 -0.008 0.000 0.961 61 N CB 1.388 39.844 38.487 -0.051 0.000 1.186 61 N HN 0.082 nan 8.380 nan 0.000 0.493 62 L N 3.291 124.568 121.223 0.090 0.000 2.259 62 L HA 0.340 4.680 4.340 -0.000 0.000 0.288 62 L C -1.939 175.081 176.870 0.250 0.000 1.051 62 L CA -1.572 53.352 54.840 0.140 0.000 0.824 62 L CB 0.810 42.945 42.059 0.126 0.000 1.206 62 L HN 0.297 nan 8.230 nan 0.000 0.429 63 P HA -0.061 nan 4.420 nan 0.000 0.266 63 P C -0.291 177.141 177.300 0.220 0.000 1.186 63 P CA -0.036 63.147 63.100 0.139 0.000 0.767 63 P CB 0.962 32.721 31.700 0.097 0.000 0.820 64 A N 1.557 124.428 122.820 0.085 0.000 2.415 64 A HA 0.048 4.368 4.320 -0.000 0.000 0.248 64 A C 0.743 178.373 177.584 0.078 0.000 1.299 64 A CA -0.030 52.007 52.037 -0.000 0.000 0.899 64 A CB -1.132 17.750 19.000 -0.198 0.000 0.997 64 A HN 0.693 nan 8.150 nan 0.000 0.506 65 H N 1.365 120.451 119.070 0.026 0.000 3.004 65 H HA 0.188 4.744 4.556 -0.000 0.000 0.316 65 H C 0.551 175.860 175.328 -0.031 0.000 1.014 65 H CA 1.186 57.229 56.048 -0.010 0.000 1.454 65 H CB -0.029 29.735 29.762 0.002 0.000 1.472 65 H HN 0.390 nan 8.280 nan 0.000 0.571 66 K N 1.427 121.494 120.400 -0.555 0.000 3.230 66 K HA -0.187 4.133 4.320 -0.000 0.000 0.285 66 K C -0.118 176.327 176.600 -0.257 0.000 1.196 66 K CA 0.407 56.373 56.287 -0.533 0.000 0.838 66 K CB -1.578 30.625 32.500 -0.496 0.000 1.262 66 K HN 0.705 nan 8.250 nan 0.000 0.492 67 A N -0.018 122.713 122.820 -0.149 0.000 2.366 67 A HA 0.458 4.778 4.320 -0.000 0.000 0.249 67 A C 0.466 177.980 177.584 -0.117 0.000 1.084 67 A CA 0.104 52.127 52.037 -0.023 0.000 0.794 67 A CB 0.028 19.056 19.000 0.045 0.000 1.034 67 A HN 0.268 nan 8.150 nan 0.000 0.491 68 F N 0.045 120.113 119.950 0.197 0.000 2.639 68 F HA 0.268 4.794 4.527 -0.000 0.000 0.302 68 F C 0.274 176.097 175.800 0.037 0.000 1.097 68 F CA -0.031 58.045 58.000 0.127 0.000 1.294 68 F CB -0.157 38.927 39.000 0.140 0.000 1.027 68 F HN 0.257 nan 8.300 nan 0.000 0.550 69 L N -0.030 121.266 121.223 0.121 0.000 2.426 69 L HA 0.492 4.832 4.340 -0.000 0.000 0.271 69 L C 0.988 177.828 176.870 -0.050 0.000 1.169 69 L CA -0.064 54.769 54.840 -0.011 0.000 0.836 69 L CB 0.404 42.457 42.059 -0.009 0.000 1.112 69 L HN 0.223 nan 8.230 nan 0.000 0.465 70 G N -0.351 108.375 108.800 -0.124 0.000 3.257 70 G HA2 0.561 4.521 3.960 -0.000 0.000 0.205 70 G HA3 0.561 4.521 3.960 -0.000 0.000 0.205 70 G C 0.197 175.033 174.900 -0.107 0.000 1.234 70 G CA -0.306 44.724 45.100 -0.117 0.000 0.918 70 G HN 0.909 nan 8.290 nan 0.000 0.602 71 G N -2.089 106.634 108.800 -0.127 0.000 2.207 71 G HA2 0.359 4.319 3.960 -0.000 0.000 0.216 71 G HA3 0.359 4.319 3.960 -0.000 0.000 0.216 71 G C 1.261 176.310 174.900 0.249 0.000 1.053 71 G CA 0.939 46.026 45.100 -0.022 0.000 0.764 71 G HN 2.520 nan 8.290 nan 0.000 0.495 72 G N -2.702 106.189 108.800 0.152 0.000 2.561 72 G HA2 0.054 4.014 3.960 -0.000 0.000 0.203 72 G HA3 0.054 4.014 3.960 -0.000 0.000 0.203 72 G C 0.274 175.209 174.900 0.058 0.000 1.101 72 G CA 0.331 45.519 45.100 0.147 0.000 0.711 72 G HN 1.600 nan 8.290 nan 0.000 0.511 73 V N 2.189 122.128 119.914 0.042 0.000 2.513 73 V HA 0.831 4.951 4.120 -0.000 0.000 0.299 73 V C 0.222 176.312 176.094 -0.007 0.000 1.035 73 V CA -0.613 61.686 62.300 -0.002 0.000 0.889 73 V CB 1.554 33.380 31.823 0.005 0.000 0.988 73 V HN 0.514 nan 8.190 nan 0.000 0.440 74 R N 1.817 122.309 120.500 -0.014 0.000 2.771 74 R HA 0.474 4.814 4.340 -0.000 0.000 0.274 74 R C -0.556 175.647 176.300 -0.162 0.000 0.987 74 R CA -0.714 55.328 56.100 -0.097 0.000 0.908 74 R CB 2.001 32.208 30.300 -0.155 0.000 1.213 74 R HN 0.593 nan 8.270 nan 0.000 0.468 75 S N 1.963 117.524 115.700 -0.231 0.000 3.517 75 S HA 0.101 4.571 4.470 -0.000 0.000 0.284 75 S C -0.274 174.143 174.600 -0.304 0.000 1.260 75 S CA -0.302 57.770 58.200 -0.212 0.000 0.975 75 S CB -0.502 62.561 63.200 -0.229 0.000 1.540 75 S HN 0.357 nan 8.310 nan 0.000 0.506 76 H N 1.929 120.969 119.070 -0.050 0.000 2.517 76 H HA 0.205 4.761 4.556 -0.000 0.000 0.346 76 H C 0.059 175.423 175.328 0.060 0.000 1.222 76 H CA -0.455 55.587 56.048 -0.009 0.000 1.314 76 H CB 0.666 30.417 29.762 -0.018 0.000 1.609 76 H HN 0.629 nan 8.280 nan 0.000 0.571 77 H N 0.504 119.685 119.070 0.185 0.000 2.803 77 H HA 0.161 4.717 4.556 -0.000 0.000 0.330 77 H C -0.893 174.535 175.328 0.166 0.000 1.057 77 H CA -0.164 55.979 56.048 0.158 0.000 1.458 77 H CB 0.145 29.999 29.762 0.153 0.000 1.470 77 H HN 0.103 nan 8.280 nan 0.000 0.560 78 V N 9.565 129.231 119.914 -0.413 0.000 2.288 78 V HA 0.220 4.340 4.120 -0.000 0.000 0.266 78 V C -1.992 173.761 176.094 -0.568 0.000 1.048 78 V CA -1.651 60.459 62.300 -0.317 0.000 0.842 78 V CB 0.726 32.472 31.823 -0.127 0.000 1.064 78 V HN 0.847 nan 8.190 nan 0.000 0.472 79 P HA 0.136 nan 4.420 nan 0.000 0.265 79 P C -1.966 175.310 177.300 -0.041 0.000 1.222 79 P CA -1.226 61.769 63.100 -0.175 0.000 0.767 79 P CB 0.904 32.647 31.700 0.073 0.000 0.801 80 P HA -0.171 nan 4.420 nan 0.000 0.217 80 P C 1.542 178.861 177.300 0.033 0.000 1.148 80 P CA 0.769 63.882 63.100 0.022 0.000 0.828 80 P CB 0.042 31.770 31.700 0.046 0.000 0.783 81 V N 0.071 120.013 119.914 0.045 0.000 2.407 81 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 81 V C 2.514 178.629 176.094 0.036 0.000 1.055 81 V CA 1.738 64.063 62.300 0.041 0.000 1.049 81 V CB -0.823 31.024 31.823 0.041 0.000 0.662 81 V HN -0.087 nan 8.190 nan 0.000 0.455 82 V N -0.180 119.756 119.914 0.038 0.000 2.307 82 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 82 V C 2.626 178.731 176.094 0.020 0.000 1.045 82 V CA 2.039 64.359 62.300 0.034 0.000 1.024 82 V CB -0.738 31.126 31.823 0.070 0.000 0.651 82 V HN 0.512 nan 8.190 nan 0.000 0.449 83 Q N -0.035 119.777 119.800 0.019 0.000 2.124 83 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 83 Q C 2.415 178.431 176.000 0.027 0.000 0.977 83 Q CA 1.885 57.698 55.803 0.016 0.000 0.850 83 Q CB -0.702 28.042 28.738 0.009 0.000 0.901 83 Q HN 0.651 nan 8.270 nan 0.000 0.429 84 A N 0.659 123.498 122.820 0.033 0.000 1.898 84 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 84 A C 2.249 179.870 177.584 0.061 0.000 1.181 84 A CA 0.998 53.061 52.037 0.042 0.000 0.620 84 A CB -0.634 18.390 19.000 0.040 0.000 0.819 84 A HN 0.307 nan 8.150 nan 0.000 0.442 85 L N -0.900 120.360 121.223 0.061 0.000 2.056 85 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 85 L C 2.874 179.818 176.870 0.122 0.000 1.078 85 L CA 1.006 55.904 54.840 0.096 0.000 0.749 85 L CB -0.437 41.657 42.059 0.059 0.000 0.901 85 L HN 0.412 nan 8.230 nan 0.000 0.433 86 A N -0.379 122.460 122.820 0.033 0.000 2.239 86 A HA 0.121 4.441 4.320 -0.000 0.000 0.209 86 A C 2.160 179.796 177.584 0.086 0.000 1.171 86 A CA 1.143 53.182 52.037 0.004 0.000 0.768 86 A CB -0.424 18.547 19.000 -0.049 0.000 0.790 86 A HN 0.382 nan 8.150 nan 0.000 0.478 87 A N -0.552 122.326 122.820 0.097 0.000 2.267 87 A HA 0.193 4.513 4.320 -0.000 0.000 0.213 87 A C 1.005 178.646 177.584 0.096 0.000 1.192 87 A CA -0.408 51.678 52.037 0.081 0.000 0.851 87 A CB -0.016 19.016 19.000 0.053 0.000 0.881 87 A HN 0.324 nan 8.150 nan 0.000 0.494 88 R N 0.264 120.853 120.500 0.149 0.000 2.538 88 R HA 0.044 4.384 4.340 -0.000 0.000 0.282 88 R C 1.494 177.822 176.300 0.048 0.000 1.009 88 R CA 0.559 56.712 56.100 0.089 0.000 1.063 88 R CB -0.016 30.338 30.300 0.090 0.000 0.945 88 R HN 0.302 nan 8.270 nan 0.000 0.414 89 G N 3.274 112.073 108.800 -0.001 0.000 2.505 89 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 89 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 89 G C 1.014 175.893 174.900 -0.036 0.000 1.145 89 G CA 0.810 45.903 45.100 -0.011 0.000 0.761 89 G HN 0.582 nan 8.290 nan 0.000 0.571 90 E N 0.151 120.277 120.200 -0.122 0.000 2.085 90 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 90 E C 2.114 178.628 176.600 -0.144 0.000 0.994 90 E CA 1.046 57.331 56.400 -0.192 0.000 0.801 90 E CB -0.359 29.130 29.700 -0.351 0.000 0.743 90 E HN 0.506 nan 8.360 nan 0.000 0.453 91 F N -0.133 119.808 119.950 -0.016 0.000 2.163 91 F HA 0.006 4.533 4.527 -0.000 0.000 0.297 91 F C 2.049 177.834 175.800 -0.026 0.000 1.094 91 F CA 0.383 58.367 58.000 -0.028 0.000 1.290 91 F CB -0.672 38.308 39.000 -0.032 0.000 1.017 91 F HN 0.032 nan 8.300 nan 0.000 0.483 92 L N 0.109 121.439 121.223 0.178 0.000 2.056 92 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 92 L C 2.268 179.173 176.870 0.060 0.000 1.078 92 L CA 2.370 57.266 54.840 0.094 0.000 0.749 92 L CB -1.067 41.033 42.059 0.067 0.000 0.901 92 L HN 0.298 nan 8.230 nan 0.000 0.433 93 T N -2.994 111.587 114.554 0.045 0.000 3.105 93 T HA 0.529 4.879 4.350 -0.000 0.000 0.253 93 T C 0.723 175.454 174.700 0.051 0.000 1.047 93 T CA 0.049 62.170 62.100 0.035 0.000 0.944 93 T CB -0.377 68.498 68.868 0.011 0.000 1.016 93 T HN 0.340 nan 8.240 nan 0.000 0.544 94 A N 0.934 123.790 122.820 0.059 0.000 2.313 94 A HA 0.622 4.942 4.320 -0.000 0.000 0.261 94 A C -0.442 177.219 177.584 0.128 0.000 1.090 94 A CA -0.662 51.419 52.037 0.073 0.000 0.807 94 A CB 0.270 19.297 19.000 0.045 0.000 1.055 94 A HN 0.527 nan 8.150 nan 0.000 0.492 95 Y N -0.224 120.070 120.300 -0.010 0.000 2.654 95 Y HA 0.469 5.019 4.550 -0.000 0.000 0.327 95 Y C 0.809 176.671 175.900 -0.065 0.000 1.122 95 Y CA -0.532 57.559 58.100 -0.014 0.000 1.227 95 Y CB 0.788 39.257 38.460 0.015 0.000 1.370 95 Y HN 0.687 nan 8.280 nan 0.000 0.528 96 T N 5.932 119.783 114.554 -1.172 0.000 2.891 96 T HA 0.048 4.398 4.350 -0.000 0.000 0.296 96 T C -2.466 171.838 174.700 -0.660 0.000 1.025 96 T CA -0.339 61.173 62.100 -0.980 0.000 1.149 96 T CB -0.109 67.949 68.868 -1.351 0.000 1.007 96 T HN 0.359 nan 8.240 nan 0.000 0.528 97 P HA 0.082 nan 4.420 nan 0.000 0.241 97 P C -0.245 176.917 177.300 -0.229 0.000 1.760 97 P CA -0.075 62.884 63.100 -0.236 0.000 1.081 97 P CB -0.101 31.514 31.700 -0.141 0.000 1.975 98 Y N 0.119 120.419 120.300 0.001 0.000 2.448 98 Y HA 0.046 4.596 4.550 -0.000 0.000 0.289 98 Y C 1.683 177.590 175.900 0.010 0.000 1.114 98 Y CA 0.818 58.919 58.100 0.001 0.000 1.235 98 Y CB 0.082 38.547 38.460 0.008 0.000 1.045 98 Y HN 0.222 nan 8.280 nan 0.000 0.554 99 Q N 1.881 121.775 119.800 0.156 0.000 2.636 99 Q HA 0.181 4.520 4.340 -0.000 0.000 0.233 99 Q C -1.815 174.222 176.000 0.062 0.000 1.143 99 Q CA -1.865 53.996 55.803 0.096 0.000 0.969 99 Q CB 0.810 29.598 28.738 0.082 0.000 1.185 99 Q HN 0.242 nan 8.270 nan 0.000 0.546 100 P HA -0.206 nan 4.420 nan 0.000 0.217 100 P C 0.382 177.702 177.300 0.033 0.000 1.148 100 P CA 1.255 64.381 63.100 0.043 0.000 0.828 100 P CB 0.622 32.349 31.700 0.044 0.000 0.783 101 E N 0.075 120.290 120.200 0.026 0.000 2.160 101 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 101 E C 1.761 178.370 176.600 0.016 0.000 0.991 101 E CA 1.523 57.933 56.400 0.016 0.000 0.810 101 E CB -0.710 28.997 29.700 0.012 0.000 0.742 101 E HN 0.339 nan 8.360 nan 0.000 0.466 102 V N -3.540 116.386 119.914 0.019 0.000 3.319 102 V HA 0.322 4.442 4.120 -0.000 0.000 0.317 102 V C 0.630 176.730 176.094 0.010 0.000 1.411 102 V CA -0.088 62.219 62.300 0.011 0.000 1.112 102 V CB 0.755 32.584 31.823 0.010 0.000 1.031 102 V HN -0.006 nan 8.190 nan 0.000 0.448 103 S N 0.709 116.421 115.700 0.021 0.000 2.741 103 S HA 0.277 4.747 4.470 -0.000 0.000 0.247 103 S C 1.197 175.822 174.600 0.040 0.000 1.050 103 S CA -0.366 57.845 58.200 0.019 0.000 1.025 103 S CB 0.439 63.646 63.200 0.012 0.000 0.897 103 S HN 0.472 nan 8.310 nan 0.000 0.508 104 Q N 1.091 120.922 119.800 0.052 0.000 2.291 104 Q HA -0.003 4.337 4.340 -0.000 0.000 0.205 104 Q C 2.089 178.145 176.000 0.092 0.000 0.970 104 Q CA 1.215 57.077 55.803 0.097 0.000 0.876 104 Q CB -0.547 28.250 28.738 0.098 0.000 0.935 104 Q HN 0.642 nan 8.270 nan 0.000 0.455 105 G N 0.234 109.070 108.800 0.060 0.000 2.453 105 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 105 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 105 G C 1.583 176.587 174.900 0.173 0.000 1.201 105 G CA 0.911 46.065 45.100 0.090 0.000 0.784 105 G HN 0.275 nan 8.290 nan 0.000 0.545 106 V N 0.759 120.761 119.914 0.147 0.000 2.358 106 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 106 V C 2.843 178.960 176.094 0.039 0.000 1.047 106 V CA 0.946 63.325 62.300 0.131 0.000 1.035 106 V CB -0.388 31.481 31.823 0.076 0.000 0.658 106 V HN 0.175 nan 8.190 nan 0.000 0.452 107 L N -0.145 121.101 121.223 0.037 0.000 2.017 107 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 107 L C 2.483 179.313 176.870 -0.066 0.000 1.073 107 L CA 1.972 56.834 54.840 0.036 0.000 0.745 107 L CB -1.357 40.772 42.059 0.116 0.000 0.894 107 L HN 0.453 nan 8.230 nan 0.000 0.432 108 Q N -1.055 118.668 119.800 -0.129 0.000 2.046 108 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 108 Q C 2.187 178.059 176.000 -0.213 0.000 0.975 108 Q CA 1.576 57.104 55.803 -0.460 0.000 0.836 108 Q CB 0.042 28.623 28.738 -0.262 0.000 0.896 108 Q HN 0.468 nan 8.270 nan 0.000 0.428 109 A N 0.013 122.794 122.820 -0.065 0.000 1.940 109 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 109 A C 2.179 179.732 177.584 -0.052 0.000 1.176 109 A CA 2.037 54.042 52.037 -0.053 0.000 0.631 109 A CB -0.939 18.026 19.000 -0.058 0.000 0.814 109 A HN 0.478 nan 8.150 nan 0.000 0.446 110 T N -1.187 113.343 114.554 -0.040 0.000 2.857 110 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 110 T C 1.573 176.319 174.700 0.077 0.000 1.048 110 T CA 1.329 63.432 62.100 0.006 0.000 1.139 110 T CB -0.345 68.513 68.868 -0.016 0.000 0.874 110 T HN 0.488 nan 8.240 nan 0.000 0.455 111 F N 2.310 122.157 119.950 -0.171 0.000 2.134 111 F HA -0.089 4.437 4.527 -0.000 0.000 0.299 111 F C 2.197 177.903 175.800 -0.157 0.000 1.097 111 F CA 1.367 59.247 58.000 -0.201 0.000 1.264 111 F CB -0.240 38.452 39.000 -0.514 0.000 1.001 111 F HN 0.194 nan 8.300 nan 0.000 0.479 112 E N -1.185 118.969 120.200 -0.076 0.000 2.150 112 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 112 E C 1.964 178.476 176.600 -0.145 0.000 0.985 112 E CA 1.453 57.777 56.400 -0.127 0.000 0.814 112 E CB -0.613 29.059 29.700 -0.046 0.000 0.752 112 E HN 0.680 nan 8.360 nan 0.000 0.466 113 Y N 1.990 122.175 120.300 -0.192 0.000 2.163 113 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 113 Y C 2.142 177.926 175.900 -0.193 0.000 1.136 113 Y CA 1.631 59.617 58.100 -0.190 0.000 1.147 113 Y CB -0.119 38.218 38.460 -0.206 0.000 0.987 113 Y HN -0.070 nan 8.280 nan 0.000 0.509 114 Q N -0.274 119.317 119.800 -0.350 0.000 2.061 114 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 114 Q C 2.159 177.889 176.000 -0.451 0.000 0.984 114 Q CA 2.480 58.032 55.803 -0.418 0.000 0.846 114 Q CB -0.375 28.229 28.738 -0.222 0.000 0.902 114 Q HN 0.470 nan 8.270 nan 0.000 0.421 115 T N 0.946 115.224 114.554 -0.460 0.000 2.684 115 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 115 T C 1.832 176.347 174.700 -0.309 0.000 1.036 115 T CA 1.353 63.218 62.100 -0.392 0.000 1.148 115 T CB -0.158 68.466 68.868 -0.408 0.000 0.863 115 T HN 0.243 nan 8.240 nan 0.000 0.436 116 M N 0.202 119.614 119.600 -0.313 0.000 2.117 116 M HA -0.035 4.444 4.480 -0.000 0.000 0.262 116 M C 2.154 178.261 176.300 -0.321 0.000 1.065 116 M CA 1.264 56.408 55.300 -0.260 0.000 1.114 116 M CB -0.398 32.082 32.600 -0.200 0.000 1.361 116 M HN 0.164 nan 8.290 nan 0.000 0.408 117 I N 0.549 120.829 120.570 -0.484 0.000 2.202 117 I HA -0.198 3.971 4.170 -0.000 0.000 0.242 117 I C 2.741 178.630 176.117 -0.381 0.000 1.091 117 I CA 1.535 62.515 61.300 -0.533 0.000 1.368 117 I CB -1.500 36.082 38.000 -0.697 0.000 1.058 117 I HN 0.206 nan 8.210 nan 0.000 0.410 118 A N 0.273 122.911 122.820 -0.303 0.000 1.908 118 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 118 A C 2.238 179.726 177.584 -0.160 0.000 1.181 118 A CA 1.515 53.437 52.037 -0.192 0.000 0.627 118 A CB -0.471 18.426 19.000 -0.172 0.000 0.818 118 A HN 0.344 nan 8.150 nan 0.000 0.445 119 E N -0.524 119.571 120.200 -0.174 0.000 2.031 119 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 119 E C 2.005 178.531 176.600 -0.123 0.000 0.994 119 E CA 1.055 57.377 56.400 -0.131 0.000 0.800 119 E CB -0.565 29.059 29.700 -0.126 0.000 0.752 119 E HN 0.431 nan 8.360 nan 0.000 0.447 120 L N 0.858 121.983 121.223 -0.164 0.000 2.043 120 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 120 L C 2.165 178.957 176.870 -0.129 0.000 1.075 120 L CA 2.095 56.843 54.840 -0.154 0.000 0.752 120 L CB -0.853 41.070 42.059 -0.226 0.000 0.891 120 L HN 0.076 nan 8.230 nan 0.000 0.432 121 A N -1.504 121.224 122.820 -0.153 0.000 2.167 121 A HA 0.293 4.613 4.320 -0.000 0.000 0.214 121 A C 1.715 179.292 177.584 -0.012 0.000 1.151 121 A CA 0.838 52.838 52.037 -0.061 0.000 0.735 121 A CB -0.849 18.129 19.000 -0.037 0.000 0.802 121 A HN 0.756 nan 8.150 nan 0.000 0.467 122 G N -1.593 107.184 108.800 -0.038 0.000 2.160 122 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.251 122 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.251 122 G C 0.087 174.984 174.900 -0.005 0.000 1.008 122 G CA 0.691 45.779 45.100 -0.020 0.000 0.724 122 G HN 0.454 nan 8.290 nan 0.000 0.514 123 L N -1.783 119.430 121.223 -0.016 0.000 2.293 123 L HA 0.638 4.978 4.340 -0.000 0.000 0.264 123 L C 1.524 178.374 176.870 -0.033 0.000 1.029 123 L CA -0.917 53.920 54.840 -0.004 0.000 0.897 123 L CB 0.808 42.881 42.059 0.024 0.000 1.497 123 L HN 0.127 nan 8.230 nan 0.000 0.495 124 E N 0.160 120.342 120.200 -0.029 0.000 2.290 124 E HA 0.194 4.544 4.350 -0.000 0.000 0.197 124 E C -0.239 176.328 176.600 -0.055 0.000 0.948 124 E CA 0.337 56.709 56.400 -0.046 0.000 0.895 124 E CB 0.916 30.589 29.700 -0.045 0.000 0.865 124 E HN 0.442 nan 8.360 nan 0.000 0.486 125 I N -2.828 117.720 120.570 -0.038 0.000 3.191 125 I HA 0.832 5.002 4.170 -0.000 0.000 0.313 125 I C -1.477 174.623 176.117 -0.029 0.000 1.193 125 I CA -1.469 59.806 61.300 -0.041 0.000 0.968 125 I CB 2.435 40.431 38.000 -0.006 0.000 1.262 125 I HN -0.157 nan 8.210 nan 0.000 0.456 126 A N 2.188 124.986 122.820 -0.037 0.000 2.589 126 A HA 0.647 4.967 4.320 -0.000 0.000 0.296 126 A C -1.229 176.372 177.584 0.028 0.000 1.062 126 A CA -0.741 51.292 52.037 -0.007 0.000 0.686 126 A CB 1.503 20.448 19.000 -0.091 0.000 1.282 126 A HN 0.953 nan 8.150 nan 0.000 0.404 127 N N 0.731 119.482 118.700 0.084 0.000 2.405 127 N HA 0.509 5.249 4.740 -0.000 0.000 0.269 127 N C 1.058 176.677 175.510 0.183 0.000 1.249 127 N CA 0.060 53.170 53.050 0.101 0.000 0.974 127 N CB 0.509 39.042 38.487 0.076 0.000 1.204 127 N HN 0.914 nan 8.380 nan 0.000 0.565 128 A N -0.934 121.966 122.820 0.134 0.000 2.125 128 A HA 0.152 4.472 4.320 -0.000 0.000 0.219 128 A C 0.215 177.828 177.584 0.047 0.000 1.156 128 A CA 1.267 53.370 52.037 0.110 0.000 0.671 128 A CB -1.328 17.671 19.000 -0.002 0.000 0.794 128 A HN 1.642 nan 8.150 nan 0.000 0.459 129 S N -3.630 112.143 115.700 0.121 0.000 2.791 129 S HA 0.211 4.681 4.470 -0.000 0.000 0.261 129 S C -0.946 173.682 174.600 0.047 0.000 0.684 129 S CA -0.669 57.602 58.200 0.119 0.000 1.126 129 S CB -0.511 62.637 63.200 -0.086 0.000 1.400 129 S HN 0.325 nan 8.310 nan 0.000 0.522 130 M N 1.534 121.179 119.600 0.076 0.000 2.762 130 M HA 0.464 4.944 4.480 -0.000 0.000 0.306 130 M C 0.551 176.854 176.300 0.004 0.000 1.223 130 M CA -0.756 54.492 55.300 -0.086 0.000 0.896 130 M CB 0.447 32.986 32.600 -0.102 0.000 1.684 130 M HN 0.890 nan 8.290 nan 0.000 0.491 131 Y N 0.839 121.139 120.300 -0.000 0.000 2.165 131 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 131 Y C 1.197 177.080 175.900 -0.029 0.000 1.155 131 Y CA 0.946 59.040 58.100 -0.009 0.000 1.164 131 Y CB -0.369 38.073 38.460 -0.030 0.000 0.978 131 Y HN 0.661 nan 8.280 nan 0.000 0.513 132 D N -4.035 116.400 120.400 0.058 0.000 2.809 132 D HA 0.142 4.781 4.640 -0.000 0.000 0.336 132 D C 1.227 177.380 176.300 -0.245 0.000 1.367 132 D CA 0.039 53.993 54.000 -0.077 0.000 0.815 132 D CB 0.471 41.220 40.800 -0.084 0.000 1.381 132 D HN 0.077 nan 8.370 nan 0.000 0.471 133 G N 0.211 108.807 108.800 -0.340 0.000 2.459 133 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 133 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 133 G C 1.470 175.837 174.900 -0.887 0.000 1.183 133 G CA 2.501 47.308 45.100 -0.488 0.000 0.776 133 G HN 0.805 nan 8.290 nan 0.000 0.552 134 A N -0.170 121.851 122.820 -1.331 0.000 1.883 134 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 134 A C 2.513 179.739 177.584 -0.597 0.000 1.186 134 A CA 2.607 53.954 52.037 -1.150 0.000 0.624 134 A CB -1.066 17.449 19.000 -0.809 0.000 0.822 134 A HN 0.321 nan 8.150 nan 0.000 0.444 135 T N -0.324 113.964 114.554 -0.444 0.000 2.867 135 T HA 0.083 4.433 4.350 -0.000 0.000 0.268 135 T C 2.139 176.612 174.700 -0.378 0.000 1.057 135 T CA 1.321 63.197 62.100 -0.375 0.000 1.136 135 T CB -0.334 68.480 68.868 -0.090 0.000 0.874 135 T HN 0.586 nan 8.240 nan 0.000 0.466 136 A N 1.154 123.776 122.820 -0.331 0.000 1.898 136 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 136 A C 2.178 179.599 177.584 -0.272 0.000 1.181 136 A CA 1.202 53.072 52.037 -0.277 0.000 0.620 136 A CB -0.707 18.117 19.000 -0.294 0.000 0.819 136 A HN 0.440 nan 8.150 nan 0.000 0.442 137 L N -0.110 120.934 121.223 -0.297 0.000 1.994 137 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 137 L C 2.660 179.390 176.870 -0.233 0.000 1.071 137 L CA 2.291 57.000 54.840 -0.218 0.000 0.745 137 L CB -0.981 40.995 42.059 -0.137 0.000 0.892 137 L HN 0.335 nan 8.230 nan 0.000 0.431 138 A N -0.592 122.017 122.820 -0.351 0.000 1.873 138 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 138 A C 2.159 179.575 177.584 -0.279 0.000 1.193 138 A CA 1.988 53.780 52.037 -0.409 0.000 0.629 138 A CB -0.742 17.655 19.000 -1.005 0.000 0.826 138 A HN 0.602 nan 8.150 nan 0.000 0.447 139 E N -0.696 119.329 120.200 -0.292 0.000 2.110 139 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 139 E C 2.209 178.748 176.600 -0.102 0.000 0.988 139 E CA 1.141 57.453 56.400 -0.147 0.000 0.804 139 E CB -0.674 28.938 29.700 -0.146 0.000 0.745 139 E HN 0.610 nan 8.360 nan 0.000 0.458 140 G N 1.123 109.848 108.800 -0.124 0.000 2.418 140 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 140 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 140 G C 1.839 176.688 174.900 -0.084 0.000 1.158 140 G CA 0.868 45.912 45.100 -0.094 0.000 0.771 140 G HN 0.165 nan 8.290 nan 0.000 0.545 141 V N 0.855 120.715 119.914 -0.090 0.000 2.379 141 V HA -0.057 4.063 4.120 -0.000 0.000 0.245 141 V C 2.889 178.955 176.094 -0.048 0.000 1.044 141 V CA 1.205 63.465 62.300 -0.068 0.000 1.036 141 V CB -0.387 31.401 31.823 -0.059 0.000 0.664 141 V HN 0.332 nan 8.190 nan 0.000 0.453 142 L N -0.524 120.679 121.223 -0.034 0.000 2.127 142 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 142 L C 2.409 179.265 176.870 -0.023 0.000 1.089 142 L CA 1.487 56.323 54.840 -0.007 0.000 0.757 142 L CB -0.481 41.596 42.059 0.030 0.000 0.899 142 L HN 0.364 nan 8.230 nan 0.000 0.434 143 L N -0.219 120.981 121.223 -0.039 0.000 2.017 143 L HA -0.201 4.138 4.340 -0.000 0.000 0.208 143 L C 2.736 179.550 176.870 -0.093 0.000 1.073 143 L CA 1.552 56.363 54.840 -0.048 0.000 0.745 143 L CB -0.265 41.771 42.059 -0.039 0.000 0.894 143 L HN 0.215 nan 8.230 nan 0.000 0.432 144 A N -0.158 122.597 122.820 -0.109 0.000 1.933 144 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 144 A C 2.163 179.681 177.584 -0.109 0.000 1.175 144 A CA 1.543 53.490 52.037 -0.150 0.000 0.628 144 A CB -0.726 18.207 19.000 -0.112 0.000 0.814 144 A HN 0.526 nan 8.150 nan 0.000 0.444 145 L N -1.359 119.826 121.223 -0.063 0.000 2.156 145 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 145 L C 2.841 179.688 176.870 -0.038 0.000 1.095 145 L CA 1.013 55.830 54.840 -0.039 0.000 0.770 145 L CB -0.452 41.596 42.059 -0.018 0.000 0.914 145 L HN 0.380 nan 8.230 nan 0.000 0.439 146 R N -0.161 120.315 120.500 -0.041 0.000 2.073 146 R HA -0.173 4.166 4.340 -0.000 0.000 0.229 146 R C 2.196 178.470 176.300 -0.043 0.000 1.120 146 R CA 1.182 57.265 56.100 -0.029 0.000 0.967 146 R CB -0.109 30.180 30.300 -0.017 0.000 0.862 146 R HN 0.177 nan 8.270 nan 0.000 0.436 147 E N 0.447 120.592 120.200 -0.092 0.000 2.047 147 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 147 E C 1.784 178.326 176.600 -0.096 0.000 0.987 147 E CA 2.137 58.459 56.400 -0.130 0.000 0.799 147 E CB -0.107 29.387 29.700 -0.344 0.000 0.752 147 E HN 0.355 nan 8.360 nan 0.000 0.449 148 T N -3.696 110.801 114.554 -0.094 0.000 3.067 148 T HA 0.190 4.540 4.350 -0.000 0.000 0.261 148 T C 1.604 176.293 174.700 -0.018 0.000 1.110 148 T CA 0.724 62.796 62.100 -0.047 0.000 1.113 148 T CB -0.164 68.681 68.868 -0.037 0.000 0.917 148 T HN 0.374 nan 8.240 nan 0.000 0.499 149 G N 1.684 110.472 108.800 -0.020 0.000 2.155 149 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 149 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 149 G C 0.156 175.055 174.900 -0.002 0.000 0.983 149 G CA 0.218 45.314 45.100 -0.007 0.000 0.676 149 G HN 0.710 nan 8.290 nan 0.000 0.528 150 R N -1.285 119.212 120.500 -0.005 0.000 2.700 150 R HA 0.765 5.105 4.340 -0.000 0.000 0.253 150 R C 0.971 177.272 176.300 0.001 0.000 1.091 150 R CA -0.911 55.190 56.100 0.002 0.000 1.104 150 R CB 0.425 30.729 30.300 0.006 0.000 1.202 150 R HN 0.087 nan 8.270 nan 0.000 0.532 151 M N 0.111 119.714 119.600 0.005 0.000 2.347 151 M HA 0.228 4.708 4.480 -0.000 0.000 0.324 151 M C 0.204 176.510 176.300 0.009 0.000 1.028 151 M CA -0.004 55.299 55.300 0.006 0.000 0.988 151 M CB 1.141 33.745 32.600 0.007 0.000 1.528 151 M HN 0.717 nan 8.290 nan 0.000 0.550 152 G N 0.842 109.648 108.800 0.011 0.000 2.371 152 G HA2 0.593 4.553 3.960 -0.000 0.000 0.326 152 G HA3 0.593 4.553 3.960 -0.000 0.000 0.326 152 G C -0.999 173.911 174.900 0.016 0.000 1.127 152 G CA -0.282 44.827 45.100 0.014 0.000 0.885 152 G HN 0.037 nan 8.290 nan 0.000 0.477 153 V N 2.575 122.499 119.914 0.016 0.000 2.709 153 V HA 0.460 4.579 4.120 -0.000 0.000 0.308 153 V C -0.337 175.770 176.094 0.023 0.000 1.062 153 V CA -0.658 61.652 62.300 0.017 0.000 0.901 153 V CB 1.879 33.706 31.823 0.008 0.000 1.003 153 V HN 0.632 nan 8.190 nan 0.000 0.425 154 L N 4.754 125.997 121.223 0.033 0.000 2.298 154 L HA 0.693 5.032 4.340 -0.000 0.000 0.284 154 L C -0.668 176.222 176.870 0.033 0.000 1.013 154 L CA -0.692 54.172 54.840 0.041 0.000 0.824 154 L CB 1.829 43.927 42.059 0.066 0.000 1.221 154 L HN 0.453 nan 8.230 nan 0.000 0.418 155 V N 2.971 122.895 119.914 0.017 0.000 2.540 155 V HA 0.400 4.520 4.120 -0.000 0.000 0.302 155 V C 0.161 176.254 176.094 -0.001 0.000 1.035 155 V CA -0.261 62.039 62.300 -0.001 0.000 0.873 155 V CB 2.278 34.096 31.823 -0.007 0.000 0.992 155 V HN 0.820 nan 8.190 nan 0.000 0.428 156 S N 3.994 119.681 115.700 -0.022 0.000 2.562 156 S HA 0.103 4.573 4.470 -0.000 0.000 0.281 156 S C 0.957 175.561 174.600 0.007 0.000 1.333 156 S CA 0.486 58.678 58.200 -0.013 0.000 1.052 156 S CB 1.126 64.283 63.200 -0.073 0.000 0.884 156 S HN 0.961 nan 8.310 nan 0.000 0.506 157 Q N 3.267 123.084 119.800 0.028 0.000 2.437 157 Q HA -0.025 4.315 4.340 -0.000 0.000 0.210 157 Q C 1.641 177.739 176.000 0.163 0.000 0.972 157 Q CA 1.193 57.010 55.803 0.024 0.000 0.903 157 Q CB -0.660 28.058 28.738 -0.032 0.000 0.967 157 Q HN 0.981 nan 8.270 nan 0.000 0.486 158 G N 0.152 109.041 108.800 0.150 0.000 2.679 158 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.212 158 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.212 158 G C 0.417 175.393 174.900 0.126 0.000 1.137 158 G CA -0.010 45.202 45.100 0.186 0.000 0.787 158 G HN 0.161 nan 8.290 nan 0.000 0.534 159 V N 1.637 121.584 119.914 0.054 0.000 2.530 159 V HA 0.092 4.212 4.120 -0.000 0.000 0.282 159 V C 0.700 176.769 176.094 -0.042 0.000 1.048 159 V CA -1.241 61.050 62.300 -0.015 0.000 0.997 159 V CB 1.087 32.894 31.823 -0.027 0.000 0.987 159 V HN 0.413 nan 8.190 nan 0.000 0.477 160 H N 9.144 128.056 119.070 -0.263 0.000 3.223 160 H HA -0.047 4.509 4.556 -0.000 0.000 0.287 160 H C -1.327 173.793 175.328 -0.348 0.000 0.910 160 H CA -0.894 54.888 56.048 -0.444 0.000 1.406 160 H CB 1.126 30.581 29.762 -0.512 0.000 1.377 160 H HN 0.432 nan 8.280 nan 0.000 0.556 161 P HA -0.197 nan 4.420 nan 0.000 0.217 161 P C 1.001 178.346 177.300 0.075 0.000 1.148 161 P CA 1.454 64.467 63.100 -0.144 0.000 0.834 161 P CB 0.337 31.880 31.700 -0.262 0.000 0.783 162 E N -1.537 118.860 120.200 0.329 0.000 2.107 162 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 162 E C 2.096 178.796 176.600 0.167 0.000 0.982 162 E CA 0.752 57.268 56.400 0.193 0.000 0.809 162 E CB -0.382 29.389 29.700 0.118 0.000 0.756 162 E HN 0.265 nan 8.360 nan 0.000 0.459 163 Y N 0.832 121.095 120.300 -0.061 0.000 2.242 163 Y HA -0.105 4.445 4.550 -0.000 0.000 0.291 163 Y C 2.231 178.090 175.900 -0.068 0.000 1.137 163 Y CA 0.942 58.983 58.100 -0.097 0.000 1.181 163 Y CB -0.199 38.205 38.460 -0.093 0.000 0.989 163 Y HN -0.068 nan 8.280 nan 0.000 0.527 164 R N -0.563 120.013 120.500 0.127 0.000 2.092 164 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 164 R C 2.449 178.766 176.300 0.029 0.000 1.119 164 R CA 1.014 57.143 56.100 0.047 0.000 0.970 164 R CB -0.487 29.820 30.300 0.011 0.000 0.864 164 R HN 0.290 nan 8.270 nan 0.000 0.440 165 A N 0.609 123.449 122.820 0.033 0.000 1.898 165 A HA -0.091 4.228 4.320 -0.000 0.000 0.216 165 A C 2.317 179.923 177.584 0.037 0.000 1.181 165 A CA 1.181 53.233 52.037 0.025 0.000 0.620 165 A CB -0.433 18.580 19.000 0.022 0.000 0.819 165 A HN 0.100 nan 8.150 nan 0.000 0.442 166 V N -0.177 119.751 119.914 0.024 0.000 2.358 166 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 166 V C 2.492 178.621 176.094 0.058 0.000 1.047 166 V CA 1.871 64.193 62.300 0.037 0.000 1.035 166 V CB -0.757 31.021 31.823 -0.075 0.000 0.658 166 V HN 0.604 nan 8.190 nan 0.000 0.452 167 L N 0.594 121.808 121.223 -0.014 0.000 2.042 167 L HA -0.201 4.138 4.340 -0.000 0.000 0.210 167 L C 2.552 179.459 176.870 0.061 0.000 1.076 167 L CA 2.289 57.120 54.840 -0.016 0.000 0.749 167 L CB -0.778 41.268 42.059 -0.023 0.000 0.893 167 L HN 0.239 nan 8.230 nan 0.000 0.432 168 R N -0.629 119.903 120.500 0.053 0.000 2.073 168 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 168 R C 2.189 178.533 176.300 0.073 0.000 1.134 168 R CA 1.469 57.599 56.100 0.050 0.000 0.952 168 R CB -0.456 29.860 30.300 0.028 0.000 0.850 168 R HN 0.521 nan 8.270 nan 0.000 0.433 169 A N 0.141 123.021 122.820 0.099 0.000 1.883 169 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 169 A C 1.977 179.610 177.584 0.081 0.000 1.186 169 A CA 1.442 53.527 52.037 0.080 0.000 0.624 169 A CB -0.921 18.133 19.000 0.090 0.000 0.822 169 A HN 0.487 nan 8.150 nan 0.000 0.444 170 Y N -0.906 119.384 120.300 -0.016 0.000 2.181 170 Y HA -0.131 4.419 4.550 -0.000 0.000 0.288 170 Y C 2.257 178.149 175.900 -0.014 0.000 1.146 170 Y CA 1.307 59.398 58.100 -0.015 0.000 1.164 170 Y CB -0.503 37.945 38.460 -0.021 0.000 0.982 170 Y HN 0.208 nan 8.280 nan 0.000 0.515 171 L N 0.219 121.533 121.223 0.152 0.000 2.017 171 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 171 L C 2.139 179.034 176.870 0.040 0.000 1.073 171 L CA 1.756 56.642 54.840 0.076 0.000 0.745 171 L CB -0.986 41.105 42.059 0.052 0.000 0.894 171 L HN 0.267 nan 8.230 nan 0.000 0.432 172 E N -0.912 119.307 120.200 0.031 0.000 2.150 172 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 172 E C 2.188 178.787 176.600 -0.002 0.000 0.985 172 E CA 0.917 57.323 56.400 0.011 0.000 0.814 172 E CB -0.212 29.492 29.700 0.006 0.000 0.752 172 E HN 0.501 nan 8.360 nan 0.000 0.466 173 A N 1.475 124.287 122.820 -0.013 0.000 1.940 173 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 173 A C 2.401 179.971 177.584 -0.023 0.000 1.176 173 A CA 1.757 53.771 52.037 -0.038 0.000 0.631 173 A CB -0.549 18.396 19.000 -0.091 0.000 0.814 173 A HN 0.239 nan 8.150 nan 0.000 0.446 174 V N -4.411 115.500 119.914 -0.005 0.000 3.542 174 V HA 0.573 4.693 4.120 -0.000 0.000 0.296 174 V C 1.276 177.372 176.094 0.003 0.000 1.364 174 V CA 0.620 62.920 62.300 0.000 0.000 1.118 174 V CB -0.730 31.100 31.823 0.012 0.000 0.972 174 V HN 1.490 nan 8.190 nan 0.000 0.430 175 G N -0.068 108.734 108.800 0.003 0.000 2.176 175 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.253 175 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.253 175 G C 0.445 175.349 174.900 0.007 0.000 0.979 175 G CA 0.220 45.322 45.100 0.003 0.000 0.641 175 G HN 1.587 nan 8.290 nan 0.000 0.530 176 A N -0.133 122.693 122.820 0.011 0.000 2.366 176 A HA 0.633 4.952 4.320 -0.000 0.000 0.249 176 A C 0.519 178.110 177.584 0.012 0.000 1.084 176 A CA 0.289 52.334 52.037 0.013 0.000 0.794 176 A CB 0.492 19.503 19.000 0.018 0.000 1.034 176 A HN 0.214 nan 8.150 nan 0.000 0.491 177 K N 0.238 120.645 120.400 0.011 0.000 2.164 177 K HA 0.602 4.922 4.320 -0.000 0.000 0.258 177 K C -1.491 175.116 176.600 0.011 0.000 0.951 177 K CA -0.571 55.722 56.287 0.010 0.000 0.844 177 K CB 1.776 34.281 32.500 0.009 0.000 1.099 177 K HN 0.497 nan 8.250 nan 0.000 0.435 178 L N 3.173 124.402 121.223 0.010 0.000 2.381 178 L HA 0.473 4.813 4.340 -0.000 0.000 0.274 178 L C -1.679 175.195 176.870 0.007 0.000 0.988 178 L CA -0.865 53.980 54.840 0.009 0.000 0.824 178 L CB 1.569 43.634 42.059 0.009 0.000 1.263 178 L HN 0.490 nan 8.230 nan 0.000 0.410 179 L N 3.963 125.192 121.223 0.010 0.000 2.346 179 L HA 0.708 5.048 4.340 -0.000 0.000 0.276 179 L C -0.426 176.449 176.870 0.009 0.000 1.006 179 L CA 0.209 55.054 54.840 0.009 0.000 0.817 179 L CB 2.169 44.237 42.059 0.015 0.000 1.272 179 L HN 0.696 nan 8.230 nan 0.000 0.421 180 T N 5.835 120.390 114.554 0.001 0.000 2.795 180 T HA 0.509 4.859 4.350 -0.000 0.000 0.282 180 T C -0.167 174.537 174.700 0.006 0.000 0.980 180 T CA -0.278 61.820 62.100 -0.004 0.000 1.012 180 T CB 0.620 69.473 68.868 -0.025 0.000 0.936 180 T HN 0.406 nan 8.240 nan 0.000 0.457 181 L N 6.633 127.868 121.223 0.019 0.000 2.268 181 L HA 0.325 4.665 4.340 -0.000 0.000 0.289 181 L C -1.825 175.065 176.870 0.033 0.000 1.064 181 L CA -2.104 52.760 54.840 0.039 0.000 0.824 181 L CB 0.499 42.602 42.059 0.074 0.000 1.202 181 L HN 0.329 nan 8.230 nan 0.000 0.433 182 P HA -0.002 nan 4.420 nan 0.000 0.268 182 P C -0.514 176.821 177.300 0.058 0.000 1.205 182 P CA -0.530 62.581 63.100 0.019 0.000 0.771 182 P CB 1.227 32.933 31.700 0.010 0.000 0.858 183 L N 3.213 124.486 121.223 0.084 0.000 2.380 183 L HA 0.174 4.513 4.340 -0.000 0.000 0.273 183 L C 0.806 177.742 176.870 0.110 0.000 1.138 183 L CA 0.481 55.399 54.840 0.130 0.000 0.832 183 L CB -0.422 41.773 42.059 0.227 0.000 1.124 183 L HN 0.401 nan 8.230 nan 0.000 0.454 184 E N 2.105 122.357 120.200 0.086 0.000 2.185 184 E HA 0.472 4.822 4.350 -0.000 0.000 0.261 184 E C 0.385 176.998 176.600 0.021 0.000 0.879 184 E CA 0.047 56.480 56.400 0.055 0.000 0.756 184 E CB 1.176 30.902 29.700 0.044 0.000 1.152 184 E HN 0.808 nan 8.360 nan 0.000 0.416 185 G N 2.571 111.359 108.800 -0.020 0.000 2.198 185 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 185 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 185 G C 0.876 175.692 174.900 -0.140 0.000 1.025 185 G CA 0.484 45.524 45.100 -0.100 0.000 0.769 185 G HN 1.180 nan 8.290 nan 0.000 0.507 186 G N -1.944 106.797 108.800 -0.098 0.000 2.179 186 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 186 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 186 G C 0.307 175.238 174.900 0.052 0.000 0.977 186 G CA 1.169 46.244 45.100 -0.041 0.000 0.641 186 G HN 1.081 nan 8.290 nan 0.000 0.533 187 R N -0.588 119.948 120.500 0.060 0.000 2.837 187 R HA 0.633 4.973 4.340 -0.000 0.000 0.271 187 R C -0.441 175.927 176.300 0.114 0.000 0.993 187 R CA -0.076 56.077 56.100 0.088 0.000 0.931 187 R CB 1.591 31.936 30.300 0.076 0.000 1.206 187 R HN 0.201 nan 8.270 nan 0.000 0.474 188 T N 2.579 117.222 114.554 0.148 0.000 2.728 188 T HA 0.359 4.709 4.350 -0.000 0.000 0.296 188 T C -2.139 172.730 174.700 0.282 0.000 0.940 188 T CA -1.793 60.420 62.100 0.189 0.000 1.013 188 T CB 0.803 69.757 68.868 0.142 0.000 0.912 188 T HN 0.273 nan 8.240 nan 0.000 0.484 189 P HA 0.167 nan 4.420 nan 0.000 0.271 189 P C -0.109 177.237 177.300 0.077 0.000 1.218 189 P CA -0.765 62.392 63.100 0.096 0.000 0.780 189 P CB 0.554 32.284 31.700 0.050 0.000 0.901 190 L N 5.674 126.811 121.223 -0.144 0.000 2.584 190 L HA 0.173 4.513 4.340 -0.000 0.000 0.272 190 L C -1.826 174.973 176.870 -0.119 0.000 1.195 190 L CA -0.736 53.892 54.840 -0.353 0.000 0.920 190 L CB -0.736 41.059 42.059 -0.440 0.000 1.173 190 L HN 0.351 nan 8.230 nan 0.000 0.489 191 P HA 0.227 nan 4.420 nan 0.000 0.281 191 P C -1.398 175.894 177.300 -0.013 0.000 1.281 191 P CA -0.741 62.371 63.100 0.019 0.000 0.811 191 P CB 0.898 32.653 31.700 0.092 0.000 1.154 192 E N 0.194 120.394 120.200 0.001 0.000 2.146 192 E HA 0.347 4.697 4.350 -0.000 0.000 0.282 192 E C -1.040 175.568 176.600 0.013 0.000 0.989 192 E CA -0.746 55.652 56.400 -0.004 0.000 0.799 192 E CB 0.837 30.535 29.700 -0.003 0.000 1.088 192 E HN 0.095 nan 8.360 nan 0.000 0.397 193 V N 4.696 124.618 119.914 0.014 0.000 2.333 193 V HA 0.392 4.512 4.120 -0.000 0.000 0.274 193 V C 0.908 177.016 176.094 0.025 0.000 1.028 193 V CA -0.525 61.792 62.300 0.028 0.000 0.851 193 V CB 1.075 32.920 31.823 0.037 0.000 1.000 193 V HN 0.782 nan 8.190 nan 0.000 0.456 194 G N 2.953 111.768 108.800 0.025 0.000 2.616 194 G HA2 0.282 4.242 3.960 -0.000 0.000 0.268 194 G HA3 0.282 4.242 3.960 -0.000 0.000 0.268 194 G C 0.450 175.365 174.900 0.026 0.000 1.213 194 G CA -0.371 44.743 45.100 0.022 0.000 0.926 194 G HN 0.775 nan 8.290 nan 0.000 0.523 195 E N -0.100 120.113 120.200 0.023 0.000 2.482 195 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 195 E C 1.888 178.502 176.600 0.023 0.000 1.047 195 E CA 0.476 56.891 56.400 0.025 0.000 0.869 195 E CB 0.293 30.006 29.700 0.022 0.000 0.836 195 E HN 0.722 nan 8.360 nan 0.000 0.520 196 E N 0.747 120.959 120.200 0.021 0.000 2.371 196 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 196 E C 0.588 177.200 176.600 0.020 0.000 1.012 196 E CA 0.238 56.648 56.400 0.018 0.000 0.860 196 E CB 0.087 29.796 29.700 0.015 0.000 0.811 196 E HN -0.041 nan 8.360 nan 0.000 0.502 197 V N 1.935 121.864 119.914 0.026 0.000 2.508 197 V HA 0.275 4.395 4.120 -0.000 0.000 0.281 197 V C 1.331 177.444 176.094 0.032 0.000 1.041 197 V CA 0.546 62.864 62.300 0.030 0.000 1.016 197 V CB 1.297 33.144 31.823 0.040 0.000 0.984 197 V HN 0.362 nan 8.190 nan 0.000 0.478 198 G N 3.260 112.074 108.800 0.023 0.000 2.921 198 G HA2 0.534 4.494 3.960 -0.000 0.000 0.213 198 G HA3 0.534 4.494 3.960 -0.000 0.000 0.213 198 G C 0.323 175.234 174.900 0.018 0.000 1.143 198 G CA 0.709 45.818 45.100 0.015 0.000 0.764 198 G HN 0.989 nan 8.290 nan 0.000 0.542 199 A N -0.206 122.631 122.820 0.028 0.000 2.488 199 A HA 0.633 4.953 4.320 -0.000 0.000 0.295 199 A C -1.636 175.983 177.584 0.058 0.000 1.045 199 A CA -0.333 51.724 52.037 0.033 0.000 0.703 199 A CB 1.879 20.876 19.000 -0.006 0.000 1.271 199 A HN 0.294 nan 8.150 nan 0.000 0.400 200 V N 2.771 122.752 119.914 0.112 0.000 2.409 200 V HA 0.515 4.635 4.120 -0.000 0.000 0.291 200 V C -0.393 175.781 176.094 0.133 0.000 1.020 200 V CA -0.499 61.899 62.300 0.163 0.000 0.848 200 V CB 1.467 33.447 31.823 0.262 0.000 0.990 200 V HN 0.696 nan 8.190 nan 0.000 0.430 201 V N 5.922 125.854 119.914 0.030 0.000 2.417 201 V HA 0.668 4.788 4.120 -0.000 0.000 0.291 201 V C -0.277 175.755 176.094 -0.103 0.000 1.024 201 V CA -0.497 61.753 62.300 -0.084 0.000 0.861 201 V CB 1.882 33.656 31.823 -0.083 0.000 0.985 201 V HN 0.595 nan 8.190 nan 0.000 0.436 202 V N 4.129 123.937 119.914 -0.178 0.000 2.925 202 V HA 0.501 4.621 4.120 -0.000 0.000 0.311 202 V C -0.595 175.395 176.094 -0.173 0.000 1.104 202 V CA -0.663 61.511 62.300 -0.209 0.000 0.954 202 V CB 2.093 33.702 31.823 -0.358 0.000 1.022 202 V HN 0.920 nan 8.190 nan 0.000 0.427 203 Q N 2.707 122.427 119.800 -0.132 0.000 2.312 203 Q HA 0.606 4.946 4.340 -0.000 0.000 0.263 203 Q C -1.174 174.782 176.000 -0.074 0.000 0.995 203 Q CA -0.535 55.208 55.803 -0.100 0.000 0.853 203 Q CB 1.744 30.430 28.738 -0.086 0.000 1.300 203 Q HN 0.789 nan 8.270 nan 0.000 0.448 204 N N 4.043 122.704 118.700 -0.066 0.000 2.519 204 N HA 0.433 5.173 4.740 -0.000 0.000 0.291 204 N C -2.891 172.563 175.510 -0.093 0.000 1.107 204 N CA -1.362 51.653 53.050 -0.058 0.000 0.904 204 N CB 1.962 40.418 38.487 -0.051 0.000 1.500 204 N HN 0.315 nan 8.380 nan 0.000 0.510 205 P HA 0.135 nan 4.420 nan 0.000 0.270 205 P C -0.647 176.650 177.300 -0.005 0.000 1.223 205 P CA -0.232 62.847 63.100 -0.035 0.000 0.785 205 P CB 0.490 32.198 31.700 0.013 0.000 0.923 206 N N 0.656 119.374 118.700 0.029 0.000 2.405 206 N HA 0.055 4.795 4.740 -0.000 0.000 0.269 206 N C 0.670 176.211 175.510 0.053 0.000 1.249 206 N CA -0.384 52.690 53.050 0.040 0.000 0.974 206 N CB -0.496 38.029 38.487 0.063 0.000 1.204 206 N HN 0.222 nan 8.380 nan 0.000 0.565 207 F N -0.195 119.692 119.950 -0.104 0.000 2.115 207 F HA -0.023 4.504 4.527 -0.000 0.000 0.300 207 F C 1.518 177.190 175.800 -0.213 0.000 1.092 207 F CA 1.482 59.363 58.000 -0.198 0.000 1.245 207 F CB -0.211 38.614 39.000 -0.291 0.000 0.995 207 F HN 0.426 nan 8.300 nan 0.000 0.481 208 L N -0.565 120.526 121.223 -0.221 0.000 2.599 208 L HA 0.156 4.496 4.340 -0.000 0.000 0.230 208 L C 1.913 178.718 176.870 -0.109 0.000 1.141 208 L CA 0.717 55.405 54.840 -0.253 0.000 0.877 208 L CB -1.012 41.022 42.059 -0.042 0.000 1.009 208 L HN 0.488 nan 8.230 nan 0.000 0.447 209 G N -0.112 108.664 108.800 -0.039 0.000 2.199 209 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 209 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 209 G C 0.471 175.510 174.900 0.232 0.000 0.982 209 G CA 0.021 45.188 45.100 0.112 0.000 0.632 209 G HN 0.501 nan 8.290 nan 0.000 0.529 210 A N 0.780 123.701 122.820 0.168 0.000 2.477 210 A HA 0.639 4.959 4.320 -0.000 0.000 0.246 210 A C 0.785 178.459 177.584 0.150 0.000 1.078 210 A CA -0.024 52.126 52.037 0.188 0.000 0.770 210 A CB 0.243 19.318 19.000 0.124 0.000 1.011 210 A HN 0.848 nan 8.150 nan 0.000 0.494 211 L N 1.772 123.090 121.223 0.159 0.000 2.380 211 L HA 0.303 4.643 4.340 -0.000 0.000 0.273 211 L C 0.499 177.414 176.870 0.076 0.000 1.138 211 L CA -0.089 54.816 54.840 0.109 0.000 0.832 211 L CB 0.696 42.831 42.059 0.127 0.000 1.124 211 L HN 0.806 nan 8.230 nan 0.000 0.454 212 E N 1.249 121.474 120.200 0.041 0.000 2.212 212 E HA 0.152 4.502 4.350 -0.000 0.000 0.270 212 E C -1.045 175.562 176.600 0.012 0.000 0.956 212 E CA -0.606 55.820 56.400 0.043 0.000 0.825 212 E CB 1.500 31.204 29.700 0.006 0.000 1.167 212 E HN 0.404 nan 8.360 nan 0.000 0.400 213 D N 3.322 123.761 120.400 0.065 0.000 2.468 213 D HA 0.104 4.744 4.640 -0.000 0.000 0.218 213 D C 0.532 176.821 176.300 -0.018 0.000 1.155 213 D CA 0.074 54.069 54.000 -0.009 0.000 0.924 213 D CB 0.211 41.023 40.800 0.020 0.000 1.029 213 D HN 0.467 nan 8.370 nan 0.000 0.515 214 L N 2.670 123.675 121.223 -0.364 0.000 2.201 214 L HA 0.050 4.390 4.340 -0.000 0.000 0.212 214 L C 2.382 179.075 176.870 -0.295 0.000 1.105 214 L CA 0.822 55.444 54.840 -0.363 0.000 0.775 214 L CB -0.446 41.199 42.059 -0.690 0.000 0.913 214 L HN 0.493 nan 8.230 nan 0.000 0.440 215 G N 1.843 110.512 108.800 -0.217 0.000 2.628 215 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.217 215 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.217 215 G C -0.418 174.415 174.900 -0.112 0.000 1.240 215 G CA 1.036 46.153 45.100 0.029 0.000 0.792 215 G HN 0.319 nan 8.290 nan 0.000 0.593 216 P HA -0.067 nan 4.420 nan 0.000 0.223 216 P C 1.219 178.277 177.300 -0.404 0.000 1.144 216 P CA 0.839 63.776 63.100 -0.272 0.000 0.783 216 P CB -0.138 31.375 31.700 -0.312 0.000 0.771 217 F N 0.994 120.701 119.950 -0.404 0.000 2.187 217 F HA 0.062 4.589 4.527 -0.000 0.000 0.295 217 F C 2.763 178.062 175.800 -0.834 0.000 1.091 217 F CA 1.210 58.867 58.000 -0.573 0.000 1.308 217 F CB -1.321 37.261 39.000 -0.697 0.000 1.030 217 F HN -0.084 nan 8.300 nan 0.000 0.487 218 A N -0.010 122.295 122.820 -0.859 0.000 1.933 218 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 218 A C 2.100 179.357 177.584 -0.545 0.000 1.175 218 A CA 1.788 53.343 52.037 -0.803 0.000 0.628 218 A CB -0.688 18.067 19.000 -0.407 0.000 0.814 218 A HN 0.439 nan 8.150 nan 0.000 0.444 219 E N -0.234 119.803 120.200 -0.271 0.000 2.106 219 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 219 E C 2.288 178.834 176.600 -0.090 0.000 0.984 219 E CA 0.836 57.176 56.400 -0.100 0.000 0.806 219 E CB -0.280 29.384 29.700 -0.060 0.000 0.750 219 E HN 0.610 nan 8.360 nan 0.000 0.458 220 A N 1.612 124.343 122.820 -0.149 0.000 1.969 220 A HA -0.053 4.266 4.320 -0.000 0.000 0.218 220 A C 2.357 179.916 177.584 -0.041 0.000 1.169 220 A CA 1.572 53.551 52.037 -0.095 0.000 0.635 220 A CB -0.406 18.515 19.000 -0.132 0.000 0.810 220 A HN 0.276 nan 8.150 nan 0.000 0.445 221 A N -0.745 122.029 122.820 -0.076 0.000 1.854 221 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 221 A C 1.902 179.539 177.584 0.088 0.000 1.192 221 A CA 1.429 53.467 52.037 0.002 0.000 0.611 221 A CB -0.970 18.032 19.000 0.002 0.000 0.832 221 A HN 0.716 nan 8.150 nan 0.000 0.442 222 H N -0.966 118.139 119.070 0.059 0.000 2.421 222 H HA -0.074 4.482 4.556 -0.000 0.000 0.298 222 H C 2.271 177.624 175.328 0.042 0.000 1.087 222 H CA 0.383 56.469 56.048 0.063 0.000 1.330 222 H CB -0.005 29.796 29.762 0.066 0.000 1.388 222 H HN 0.546 nan 8.280 nan 0.000 0.526 223 G N 0.065 108.950 108.800 0.142 0.000 2.471 223 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 223 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 223 G C 1.496 176.434 174.900 0.064 0.000 1.125 223 G CA 0.644 45.792 45.100 0.080 0.000 0.775 223 G HN 0.463 nan 8.290 nan 0.000 0.548 224 A N -0.845 122.017 122.820 0.070 0.000 2.348 224 A HA 0.526 4.846 4.320 -0.000 0.000 0.224 224 A C 1.844 179.467 177.584 0.066 0.000 1.227 224 A CA 1.091 53.162 52.037 0.056 0.000 0.885 224 A CB -0.087 18.940 19.000 0.046 0.000 0.933 224 A HN 1.458 nan 8.150 nan 0.000 0.506 225 G N -1.702 107.153 108.800 0.092 0.000 2.157 225 G HA2 0.104 4.064 3.960 -0.000 0.000 0.248 225 G HA3 0.104 4.064 3.960 -0.000 0.000 0.248 225 G C 0.420 175.379 174.900 0.098 0.000 0.979 225 G CA 0.333 45.487 45.100 0.088 0.000 0.650 225 G HN 1.551 nan 8.290 nan 0.000 0.529 226 A N -0.331 122.561 122.820 0.120 0.000 2.269 226 A HA 0.874 5.194 4.320 -0.000 0.000 0.319 226 A C 0.447 178.141 177.584 0.183 0.000 1.110 226 A CA -0.514 51.590 52.037 0.111 0.000 0.847 226 A CB 0.791 19.846 19.000 0.091 0.000 1.161 226 A HN 0.724 nan 8.150 nan 0.000 0.497 227 L N 0.330 121.633 121.223 0.133 0.000 2.360 227 L HA 0.436 4.776 4.340 -0.000 0.000 0.271 227 L C -0.707 176.288 176.870 0.208 0.000 1.057 227 L CA -0.407 54.544 54.840 0.184 0.000 0.803 227 L CB 1.148 43.224 42.059 0.028 0.000 1.207 227 L HN 0.727 nan 8.230 nan 0.000 0.445 228 F N 2.261 122.248 119.950 0.061 0.000 2.388 228 F HA 0.483 5.010 4.527 -0.000 0.000 0.358 228 F C -0.469 175.349 175.800 0.029 0.000 1.122 228 F CA -0.818 57.181 58.000 -0.001 0.000 1.056 228 F CB 1.189 40.140 39.000 -0.081 0.000 1.155 228 F HN -0.040 nan 8.300 nan 0.000 0.461 229 V N 6.370 125.948 119.914 -0.559 0.000 2.370 229 V HA 0.726 4.846 4.120 -0.000 0.000 0.279 229 V C 0.038 175.640 176.094 -0.820 0.000 1.029 229 V CA -0.657 61.332 62.300 -0.518 0.000 0.870 229 V CB 0.879 32.550 31.823 -0.254 0.000 0.984 229 V HN 0.964 nan 8.190 nan 0.000 0.451 230 A N 4.978 127.417 122.820 -0.636 0.000 2.304 230 A HA 0.815 5.135 4.320 -0.000 0.000 0.323 230 A C -0.648 176.807 177.584 -0.215 0.000 1.195 230 A CA -0.529 51.222 52.037 -0.476 0.000 0.826 230 A CB 1.395 20.204 19.000 -0.319 0.000 1.184 230 A HN 0.636 nan 8.150 nan 0.000 0.496 231 V N 1.816 121.629 119.914 -0.167 0.000 2.370 231 V HA 0.690 4.810 4.120 -0.000 0.000 0.279 231 V C 0.378 176.434 176.094 -0.064 0.000 1.029 231 V CA 0.150 62.387 62.300 -0.105 0.000 0.870 231 V CB 0.871 32.638 31.823 -0.094 0.000 0.984 231 V HN 1.241 nan 8.190 nan 0.000 0.451 232 A N 3.452 126.268 122.820 -0.006 0.000 2.455 232 A HA 0.548 4.868 4.320 -0.000 0.000 0.300 232 A C -0.716 176.933 177.584 0.107 0.000 1.040 232 A CA -0.640 51.421 52.037 0.041 0.000 0.697 232 A CB 1.365 20.412 19.000 0.078 0.000 1.265 232 A HN 0.751 nan 8.150 nan 0.000 0.407 233 D N 4.102 124.526 120.400 0.040 0.000 2.401 233 D HA 0.112 4.752 4.640 -0.000 0.000 0.254 233 D C -1.193 175.164 176.300 0.096 0.000 1.192 233 D CA -1.194 52.845 54.000 0.065 0.000 0.885 233 D CB 1.331 42.148 40.800 0.029 0.000 1.147 233 D HN 0.241 nan 8.370 nan 0.000 0.478 234 P HA -0.201 nan 4.420 nan 0.000 0.215 234 P C 1.784 179.104 177.300 0.033 0.000 1.153 234 P CA 0.528 63.673 63.100 0.074 0.000 0.853 234 P CB 0.278 32.024 31.700 0.077 0.000 0.788 235 L N 1.195 122.441 121.223 0.038 0.000 2.042 235 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 235 L C 2.650 179.590 176.870 0.117 0.000 1.076 235 L CA 2.670 57.547 54.840 0.063 0.000 0.749 235 L CB -1.679 40.380 42.059 -0.001 0.000 0.893 235 L HN 0.052 nan 8.230 nan 0.000 0.432 236 S N -1.009 114.744 115.700 0.088 0.000 2.400 236 S HA -0.183 4.287 4.470 -0.000 0.000 0.232 236 S C 1.907 176.490 174.600 -0.029 0.000 1.025 236 S CA 1.217 59.397 58.200 -0.034 0.000 0.993 236 S CB -0.871 62.020 63.200 -0.514 0.000 0.808 236 S HN 0.351 nan 8.310 nan 0.000 0.478 237 L N 2.200 123.416 121.223 -0.013 0.000 2.450 237 L HA 0.165 4.505 4.340 -0.000 0.000 0.224 237 L C 2.466 179.348 176.870 0.018 0.000 1.149 237 L CA 0.977 55.814 54.840 -0.005 0.000 0.816 237 L CB -1.685 40.361 42.059 -0.022 0.000 0.932 237 L HN 0.561 nan 8.230 nan 0.000 0.449 238 G N -2.075 106.758 108.800 0.054 0.000 2.572 238 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.216 238 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.216 238 G C 1.514 176.457 174.900 0.072 0.000 1.133 238 G CA 0.993 46.127 45.100 0.057 0.000 0.791 238 G HN 0.324 nan 8.290 nan 0.000 0.538 239 V N -0.693 119.287 119.914 0.110 0.000 3.305 239 V HA 0.454 4.574 4.120 -0.000 0.000 0.247 239 V C 0.595 176.755 176.094 0.110 0.000 1.426 239 V CA -0.103 62.271 62.300 0.123 0.000 1.162 239 V CB 0.098 32.037 31.823 0.194 0.000 0.961 239 V HN 0.107 nan 8.190 nan 0.000 0.449 240 L N 1.898 123.176 121.223 0.092 0.000 2.375 240 L HA 0.398 4.738 4.340 -0.000 0.000 0.271 240 L C 0.293 177.191 176.870 0.048 0.000 1.107 240 L CA -0.191 54.688 54.840 0.064 0.000 0.806 240 L CB 0.721 42.763 42.059 -0.027 0.000 1.146 240 L HN 0.095 nan 8.230 nan 0.000 0.447 241 K N 3.989 124.424 120.400 0.058 0.000 2.447 241 K HA 0.101 4.421 4.320 -0.000 0.000 0.281 241 K C -2.165 174.458 176.600 0.039 0.000 1.031 241 K CA -1.056 55.211 56.287 -0.034 0.000 1.019 241 K CB 0.500 32.874 32.500 -0.209 0.000 0.918 241 K HN 0.250 nan 8.250 nan 0.000 0.476 242 P HA 0.039 nan 4.420 nan 0.000 0.271 242 P C -2.296 175.106 177.300 0.169 0.000 1.218 242 P CA -1.405 61.734 63.100 0.065 0.000 0.780 242 P CB 0.884 32.590 31.700 0.011 0.000 0.901 243 P HA -0.170 nan 4.420 nan 0.000 0.219 243 P C 1.591 179.064 177.300 0.288 0.000 1.146 243 P CA 1.684 64.995 63.100 0.352 0.000 0.808 243 P CB -0.550 31.272 31.700 0.202 0.000 0.779 244 G N 0.397 109.294 108.800 0.161 0.000 2.443 244 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 244 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 244 G C 1.745 176.701 174.900 0.094 0.000 1.131 244 G CA 0.787 45.961 45.100 0.123 0.000 0.775 244 G HN 0.374 nan 8.290 nan 0.000 0.547 245 A N -0.193 122.642 122.820 0.025 0.000 2.016 245 A HA 0.184 4.504 4.320 -0.000 0.000 0.217 245 A C 2.004 179.542 177.584 -0.076 0.000 1.162 245 A CA 0.765 52.753 52.037 -0.082 0.000 0.662 245 A CB -0.360 18.509 19.000 -0.218 0.000 0.812 245 A HN 0.367 nan 8.150 nan 0.000 0.450 246 Y N -0.707 119.658 120.300 0.108 0.000 2.546 246 Y HA 0.300 4.850 4.550 -0.000 0.000 0.287 246 Y C 1.848 177.832 175.900 0.140 0.000 1.158 246 Y CA 0.325 58.494 58.100 0.115 0.000 1.307 246 Y CB 0.015 38.563 38.460 0.147 0.000 1.036 246 Y HN 0.446 nan 8.280 nan 0.000 0.532 247 G N -0.468 108.514 108.800 0.304 0.000 2.134 247 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.209 247 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.209 247 G C 0.317 175.483 174.900 0.444 0.000 0.993 247 G CA -0.219 45.078 45.100 0.328 0.000 0.669 247 G HN 0.578 nan 8.290 nan 0.000 0.519 248 A N -0.088 123.006 122.820 0.455 0.000 2.445 248 A HA 0.545 4.865 4.320 -0.000 0.000 0.242 248 A C 1.147 178.934 177.584 0.339 0.000 1.075 248 A CA 0.850 53.175 52.037 0.481 0.000 0.777 248 A CB 0.331 19.502 19.000 0.284 0.000 1.013 248 A HN 0.259 nan 8.150 nan 0.000 0.493 249 D N 0.358 120.953 120.400 0.325 0.000 2.338 249 D HA 0.185 4.825 4.640 -0.000 0.000 0.208 249 D C 0.045 176.488 176.300 0.238 0.000 0.997 249 D CA 1.148 55.355 54.000 0.345 0.000 0.880 249 D CB 0.326 41.381 40.800 0.425 0.000 0.980 249 D HN 0.515 nan 8.370 nan 0.000 0.509 250 I N 0.366 120.999 120.570 0.105 0.000 2.722 250 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 250 I C -1.138 174.969 176.117 -0.018 0.000 1.161 250 I CA -0.911 60.420 61.300 0.050 0.000 1.032 250 I CB 2.586 40.588 38.000 0.004 0.000 1.244 250 I HN -0.231 nan 8.210 nan 0.000 0.421 251 A N 5.379 128.225 122.820 0.043 0.000 2.393 251 A HA 0.920 5.240 4.320 -0.000 0.000 0.306 251 A C -0.924 176.718 177.584 0.097 0.000 1.050 251 A CA -0.577 51.504 52.037 0.073 0.000 0.724 251 A CB 1.794 20.896 19.000 0.170 0.000 1.248 251 A HN 0.683 nan 8.150 nan 0.000 0.424 252 V N -0.917 118.941 119.914 -0.092 0.000 3.160 252 V HA 1.080 5.200 4.120 -0.000 0.000 0.310 252 V C -0.001 175.572 176.094 -0.868 0.000 1.181 252 V CA -0.106 61.896 62.300 -0.496 0.000 1.047 252 V CB 1.378 33.006 31.823 -0.325 0.000 1.068 252 V HN 2.302 nan 8.190 nan 0.000 0.441 253 G N 0.126 108.078 108.800 -1.414 0.000 2.328 253 G HA2 0.403 4.363 3.960 -0.000 0.000 0.295 253 G HA3 0.403 4.363 3.960 -0.000 0.000 0.295 253 G C -2.342 172.165 174.900 -0.656 0.000 1.413 253 G CA -0.272 44.306 45.100 -0.870 0.000 0.817 253 G HN 0.994 nan 8.290 nan 0.000 0.546 254 D N -0.480 119.777 120.400 -0.239 0.000 2.163 254 D HA 0.484 5.124 4.640 -0.000 0.000 0.248 254 D C 1.169 177.276 176.300 -0.321 0.000 1.035 254 D CA 0.085 53.931 54.000 -0.257 0.000 0.872 254 D CB 1.871 42.607 40.800 -0.106 0.000 1.183 254 D HN 0.564 nan 8.370 nan 0.000 0.445 255 G N 2.274 110.595 108.800 -0.798 0.000 3.088 255 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.212 255 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.212 255 G C 1.094 175.697 174.900 -0.496 0.000 1.173 255 G CA -0.071 44.447 45.100 -0.971 0.000 0.779 255 G HN 0.450 nan 8.290 nan 0.000 0.540 256 Q N 1.931 121.455 119.800 -0.460 0.000 2.152 256 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 256 Q C 2.518 178.337 176.000 -0.302 0.000 0.985 256 Q CA 1.951 57.447 55.803 -0.513 0.000 0.863 256 Q CB -0.406 27.833 28.738 -0.831 0.000 0.904 256 Q HN 0.553 nan 8.270 nan 0.000 0.422 257 S N -0.564 115.000 115.700 -0.228 0.000 2.595 257 S HA -0.030 4.440 4.470 -0.000 0.000 0.235 257 S C 1.245 175.575 174.600 -0.450 0.000 0.974 257 S CA 0.183 58.234 58.200 -0.248 0.000 0.942 257 S CB -0.289 62.820 63.200 -0.151 0.000 0.766 257 S HN 0.371 nan 8.310 nan 0.000 0.536 258 L N 1.894 122.868 121.223 -0.416 0.000 2.865 258 L HA 0.421 4.761 4.340 -0.000 0.000 0.233 258 L C 1.412 177.598 176.870 -1.140 0.000 1.320 258 L CA -0.033 54.365 54.840 -0.737 0.000 1.225 258 L CB -0.592 41.367 42.059 -0.167 0.000 1.542 258 L HN 0.493 nan 8.230 nan 0.000 0.432 259 G N 0.225 108.394 108.800 -1.051 0.000 2.155 259 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 259 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 259 G C -0.078 174.695 174.900 -0.211 0.000 0.983 259 G CA -0.191 44.568 45.100 -0.569 0.000 0.676 259 G HN 0.262 nan 8.290 nan 0.000 0.528 260 L N 2.204 123.330 121.223 -0.161 0.000 2.349 260 L HA 0.454 4.794 4.340 -0.000 0.000 0.275 260 L C -1.313 175.569 176.870 0.020 0.000 1.115 260 L CA -2.162 52.667 54.840 -0.019 0.000 0.820 260 L CB 0.600 42.690 42.059 0.052 0.000 1.135 260 L HN -0.047 nan 8.230 nan 0.000 0.445 261 P HA 0.031 nan 4.420 nan 0.000 0.265 261 P C 0.693 178.096 177.300 0.172 0.000 1.193 261 P CA 0.009 63.161 63.100 0.087 0.000 0.765 261 P CB 0.531 32.274 31.700 0.073 0.000 0.823 262 M N 2.165 121.849 119.600 0.140 0.000 2.149 262 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 262 M C 1.685 178.143 176.300 0.263 0.000 1.064 262 M CA 1.808 57.224 55.300 0.194 0.000 1.102 262 M CB -1.224 31.438 32.600 0.103 0.000 1.369 262 M HN 0.678 nan 8.290 nan 0.000 0.408 263 G N 0.730 109.635 108.800 0.174 0.000 2.416 263 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.301 263 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.301 263 G C 0.265 175.286 174.900 0.202 0.000 0.985 263 G CA 0.413 45.597 45.100 0.140 0.000 0.934 263 G HN 0.623 nan 8.290 nan 0.000 0.513 264 F N -1.914 118.048 119.950 0.019 0.000 3.100 264 F HA -0.193 4.334 4.527 -0.000 0.000 0.283 264 F C 1.661 177.463 175.800 0.003 0.000 0.900 264 F CA 2.476 60.478 58.000 0.004 0.000 1.010 264 F CB -1.030 37.964 39.000 -0.010 0.000 1.029 264 F HN 1.805 nan 8.300 nan 0.000 0.637 265 G N -1.072 107.709 108.800 -0.030 0.000 2.231 265 G HA2 0.364 4.324 3.960 -0.000 0.000 0.206 265 G HA3 0.364 4.324 3.960 -0.000 0.000 0.206 265 G C 0.935 175.700 174.900 -0.225 0.000 0.996 265 G CA 0.408 45.444 45.100 -0.106 0.000 0.645 265 G HN 1.970 nan 8.290 nan 0.000 0.498 266 G N -0.370 108.237 108.800 -0.321 0.000 2.411 266 G HA2 0.707 4.667 3.960 -0.000 0.000 0.295 266 G HA3 0.707 4.667 3.960 -0.000 0.000 0.295 266 G C -3.198 171.534 174.900 -0.280 0.000 1.542 266 G CA 0.271 45.081 45.100 -0.483 0.000 0.814 266 G HN 0.651 nan 8.290 nan 0.000 0.557 267 P HA 0.653 nan 4.420 nan 0.000 0.285 267 P C -0.746 176.353 177.300 -0.335 0.000 1.269 267 P CA -0.290 62.635 63.100 -0.291 0.000 0.844 267 P CB 2.242 33.882 31.700 -0.100 0.000 1.094 268 H N -0.512 118.587 119.070 0.049 0.000 4.179 268 H HA 0.675 5.231 4.556 -0.000 0.000 0.413 268 H C -0.585 174.860 175.328 0.195 0.000 1.368 268 H CA -0.495 55.599 56.048 0.077 0.000 1.046 268 H CB 0.815 30.544 29.762 -0.056 0.000 0.902 268 H HN 0.497 nan 8.280 nan 0.000 0.774 269 F N -1.456 118.593 119.950 0.166 0.000 2.773 269 F HA 0.722 5.248 4.527 -0.000 0.000 0.314 269 F C -0.901 174.951 175.800 0.087 0.000 1.160 269 F CA -0.933 57.120 58.000 0.089 0.000 0.920 269 F CB 1.097 40.123 39.000 0.044 0.000 1.323 269 F HN 0.566 nan 8.300 nan 0.000 0.457 270 G N 0.501 109.404 108.800 0.172 0.000 2.481 270 G HA2 0.688 4.648 3.960 -0.000 0.000 0.315 270 G HA3 0.688 4.648 3.960 -0.000 0.000 0.315 270 G C -2.090 172.959 174.900 0.249 0.000 1.231 270 G CA -0.938 44.146 45.100 -0.026 0.000 0.968 270 G HN 1.001 nan 8.290 nan 0.000 0.482 271 F N 0.113 120.150 119.950 0.145 0.000 2.561 271 F HA 0.865 5.392 4.527 -0.000 0.000 0.321 271 F C -1.425 174.418 175.800 0.072 0.000 1.065 271 F CA -2.159 55.966 58.000 0.208 0.000 0.934 271 F CB 2.210 41.369 39.000 0.266 0.000 1.215 271 F HN 0.449 nan 8.300 nan 0.000 0.471 272 L N 3.119 124.528 121.223 0.311 0.000 2.441 272 L HA 0.890 5.229 4.340 -0.000 0.000 0.270 272 L C -1.341 175.650 176.870 0.201 0.000 0.973 272 L CA -1.019 53.919 54.840 0.164 0.000 0.842 272 L CB 1.014 43.102 42.059 0.049 0.000 1.239 272 L HN 1.110 nan 8.230 nan 0.000 0.406 273 A N 3.119 126.061 122.820 0.204 0.000 2.374 273 A HA 0.945 5.265 4.320 -0.000 0.000 0.317 273 A C -0.414 177.235 177.584 0.108 0.000 1.094 273 A CA 0.010 52.122 52.037 0.125 0.000 0.765 273 A CB 1.877 20.939 19.000 0.103 0.000 1.268 273 A HN 0.817 nan 8.150 nan 0.000 0.438 274 T N -0.052 114.558 114.554 0.093 0.000 2.649 274 T HA 0.481 4.831 4.350 -0.000 0.000 0.305 274 T C -1.277 173.475 174.700 0.087 0.000 1.409 274 T CA -0.478 61.703 62.100 0.135 0.000 1.021 274 T CB 0.713 69.705 68.868 0.206 0.000 1.726 274 T HN 0.599 nan 8.240 nan 0.000 0.475 275 K N 1.667 122.117 120.400 0.083 0.000 2.185 275 K HA 0.419 4.739 4.320 -0.000 0.000 0.271 275 K C 1.042 177.563 176.600 -0.131 0.000 1.013 275 K CA -0.302 55.921 56.287 -0.107 0.000 0.943 275 K CB 0.887 33.163 32.500 -0.373 0.000 0.998 275 K HN 0.532 nan 8.250 nan 0.000 0.468 276 K N 1.777 122.103 120.400 -0.123 0.000 2.211 276 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 276 K C 1.330 177.857 176.600 -0.121 0.000 1.047 276 K CA 1.507 57.745 56.287 -0.082 0.000 0.935 276 K CB -0.000 32.462 32.500 -0.063 0.000 0.728 276 K HN 0.666 nan 8.250 nan 0.000 0.452 277 A N 0.032 122.682 122.820 -0.284 0.000 2.067 277 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 277 A C 0.964 178.425 177.584 -0.205 0.000 1.158 277 A CA 0.827 52.666 52.037 -0.330 0.000 0.661 277 A CB -0.249 18.427 19.000 -0.540 0.000 0.801 277 A HN 0.315 nan 8.150 nan 0.000 0.452 278 F N -1.716 118.248 119.950 0.023 0.000 2.647 278 F HA 0.209 4.736 4.527 -0.000 0.000 0.300 278 F C 1.717 177.532 175.800 0.025 0.000 1.106 278 F CA -0.848 57.167 58.000 0.025 0.000 1.313 278 F CB -0.709 38.308 39.000 0.028 0.000 1.007 278 F HN 0.050 nan 8.300 nan 0.000 0.536 279 V N 1.008 121.011 119.914 0.147 0.000 2.324 279 V HA -0.276 3.844 4.120 -0.000 0.000 0.250 279 V C 2.864 179.018 176.094 0.100 0.000 1.060 279 V CA 2.068 64.430 62.300 0.104 0.000 1.042 279 V CB -0.202 31.660 31.823 0.064 0.000 0.650 279 V HN 0.333 nan 8.190 nan 0.000 0.450 280 R N -0.497 120.063 120.500 0.100 0.000 2.170 280 R HA -0.141 4.199 4.340 -0.000 0.000 0.242 280 R C 1.960 178.306 176.300 0.076 0.000 1.145 280 R CA 1.660 57.809 56.100 0.081 0.000 0.984 280 R CB -0.255 30.091 30.300 0.078 0.000 0.869 280 R HN 0.605 nan 8.270 nan 0.000 0.455 281 Q N 0.015 119.869 119.800 0.090 0.000 2.319 281 Q HA 0.060 4.400 4.340 -0.000 0.000 0.202 281 Q C 0.127 176.160 176.000 0.055 0.000 0.896 281 Q CA -0.208 55.632 55.803 0.062 0.000 0.942 281 Q CB 0.161 28.925 28.738 0.044 0.000 1.083 281 Q HN 0.100 nan 8.270 nan 0.000 0.510 282 L N 3.920 125.186 121.223 0.072 0.000 2.462 282 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 282 L C -2.295 174.602 176.870 0.045 0.000 1.166 282 L CA -1.143 53.733 54.840 0.060 0.000 0.880 282 L CB 0.504 42.607 42.059 0.073 0.000 1.142 282 L HN -0.086 nan 8.230 nan 0.000 0.473 283 P HA 0.531 nan 4.420 nan 0.000 0.283 283 P C -0.315 176.992 177.300 0.012 0.000 1.271 283 P CA 0.025 63.136 63.100 0.018 0.000 0.841 283 P CB 1.503 33.203 31.700 -0.001 0.000 1.122 284 G N 0.452 109.258 108.800 0.010 0.000 2.728 284 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.294 284 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.294 284 G C -0.705 174.213 174.900 0.030 0.000 1.342 284 G CA -0.791 44.311 45.100 0.003 0.000 0.866 284 G HN 0.679 nan 8.290 nan 0.000 0.534 285 R N -1.090 119.421 120.500 0.019 0.000 2.582 285 R HA 0.629 4.969 4.340 -0.000 0.000 0.271 285 R C -0.005 176.324 176.300 0.048 0.000 1.078 285 R CA -0.255 55.862 56.100 0.028 0.000 1.127 285 R CB 0.610 30.899 30.300 -0.017 0.000 1.038 285 R HN 0.482 nan 8.270 nan 0.000 0.500 286 L N 2.483 123.744 121.223 0.064 0.000 2.476 286 L HA 0.361 4.701 4.340 -0.000 0.000 0.269 286 L C -1.198 175.739 176.870 0.112 0.000 0.965 286 L CA -0.885 54.008 54.840 0.087 0.000 0.845 286 L CB 2.250 44.361 42.059 0.087 0.000 1.259 286 L HN 0.353 nan 8.230 nan 0.000 0.403 287 V N 2.579 122.584 119.914 0.152 0.000 2.481 287 V HA 0.494 4.614 4.120 -0.000 0.000 0.286 287 V C 0.147 176.439 176.094 0.331 0.000 1.042 287 V CA -0.278 62.154 62.300 0.219 0.000 0.928 287 V CB 1.734 33.702 31.823 0.243 0.000 0.986 287 V HN 0.779 nan 8.190 nan 0.000 0.462 288 S N 2.940 118.807 115.700 0.277 0.000 2.536 288 S HA 0.483 4.953 4.470 -0.000 0.000 0.298 288 S C -0.598 174.091 174.600 0.149 0.000 1.083 288 S CA -0.680 57.680 58.200 0.266 0.000 0.995 288 S CB 1.672 64.963 63.200 0.152 0.000 1.058 288 S HN 0.869 nan 8.310 nan 0.000 0.488 289 E N 1.537 121.749 120.200 0.021 0.000 2.366 289 E HA 0.483 4.833 4.350 -0.000 0.000 0.266 289 E C -0.194 176.252 176.600 -0.257 0.000 1.051 289 E CA -0.065 56.115 56.400 -0.367 0.000 0.884 289 E CB 1.089 30.550 29.700 -0.399 0.000 1.006 289 E HN 0.649 nan 8.360 nan 0.000 0.417 290 T N 1.654 115.980 114.554 -0.379 0.000 2.627 290 T HA 0.437 4.787 4.350 -0.000 0.000 0.294 290 T C -1.781 172.764 174.700 -0.257 0.000 1.230 290 T CA -0.392 61.574 62.100 -0.224 0.000 1.084 290 T CB 1.254 70.041 68.868 -0.134 0.000 1.693 290 T HN 0.294 nan 8.240 nan 0.000 0.465 291 V N 1.640 121.453 119.914 -0.168 0.000 3.159 291 V HA 0.656 4.776 4.120 -0.000 0.000 0.308 291 V C -1.433 174.597 176.094 -0.107 0.000 1.190 291 V CA -0.544 61.667 62.300 -0.149 0.000 1.037 291 V CB 2.178 33.935 31.823 -0.110 0.000 1.060 291 V HN 1.096 nan 8.190 nan 0.000 0.437 292 D N 2.300 122.645 120.400 -0.092 0.000 2.437 292 D HA 0.152 4.792 4.640 -0.000 0.000 0.259 292 D C 1.208 177.481 176.300 -0.045 0.000 1.118 292 D CA 0.117 54.080 54.000 -0.063 0.000 1.017 292 D CB 1.468 42.234 40.800 -0.057 0.000 1.120 292 D HN 0.350 nan 8.370 nan 0.000 0.541 293 V N 0.053 119.948 119.914 -0.033 0.000 2.613 293 V HA -0.257 3.863 4.120 -0.000 0.000 0.259 293 V C 1.420 177.499 176.094 -0.025 0.000 1.099 293 V CA 2.303 64.588 62.300 -0.025 0.000 1.115 293 V CB -0.544 31.268 31.823 -0.018 0.000 0.686 293 V HN 0.580 nan 8.190 nan 0.000 0.481 294 E N -1.087 119.096 120.200 -0.028 0.000 2.498 294 E HA 0.317 4.667 4.350 -0.000 0.000 0.203 294 E C 1.331 177.912 176.600 -0.031 0.000 1.013 294 E CA 0.532 56.916 56.400 -0.026 0.000 0.927 294 E CB 0.675 30.362 29.700 -0.023 0.000 1.012 294 E HN 0.703 nan 8.360 nan 0.000 0.482 295 G N 2.348 111.123 108.800 -0.041 0.000 2.134 295 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.209 295 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.209 295 G C 0.045 174.910 174.900 -0.060 0.000 0.993 295 G CA -0.407 44.664 45.100 -0.048 0.000 0.669 295 G HN 0.070 nan 8.290 nan 0.000 0.519 296 R N -0.038 120.423 120.500 -0.065 0.000 2.490 296 R HA 0.472 4.812 4.340 -0.000 0.000 0.278 296 R C 0.855 177.081 176.300 -0.122 0.000 1.069 296 R CA -0.704 55.352 56.100 -0.075 0.000 1.080 296 R CB 0.883 31.148 30.300 -0.059 0.000 1.030 296 R HN 0.319 nan 8.270 nan 0.000 0.491 297 R N 0.757 121.170 120.500 -0.145 0.000 2.537 297 R HA 0.204 4.544 4.340 -0.000 0.000 0.280 297 R C -0.397 175.693 176.300 -0.350 0.000 1.058 297 R CA 0.333 56.277 56.100 -0.260 0.000 1.057 297 R CB 0.575 30.737 30.300 -0.232 0.000 0.973 297 R HN 0.827 nan 8.270 nan 0.000 0.438 298 G N 2.462 110.923 108.800 -0.565 0.000 2.708 298 G HA2 0.594 4.554 3.960 -0.000 0.000 0.289 298 G HA3 0.594 4.554 3.960 -0.000 0.000 0.289 298 G C -1.814 172.528 174.900 -0.931 0.000 1.416 298 G CA -0.688 44.086 45.100 -0.544 0.000 0.829 298 G HN 0.415 nan 8.290 nan 0.000 0.480 299 F N -0.263 119.617 119.950 -0.116 0.000 2.565 299 F HA 0.766 5.293 4.527 -0.000 0.000 0.313 299 F C 0.037 175.803 175.800 -0.057 0.000 1.091 299 F CA -0.800 57.122 58.000 -0.130 0.000 0.915 299 F CB 2.561 41.469 39.000 -0.153 0.000 1.208 299 F HN 0.413 nan 8.300 nan 0.000 0.453 300 I N 2.233 122.880 120.570 0.128 0.000 3.006 300 I HA 0.428 4.598 4.170 -0.000 0.000 0.306 300 I C -1.665 174.514 176.117 0.103 0.000 1.250 300 I CA -1.094 60.260 61.300 0.089 0.000 0.996 300 I CB 1.676 39.704 38.000 0.046 0.000 1.261 300 I HN 0.314 nan 8.210 nan 0.000 0.442 301 L N 3.621 124.894 121.223 0.084 0.000 2.426 301 L HA 0.465 4.805 4.340 -0.000 0.000 0.271 301 L C 0.262 177.192 176.870 0.099 0.000 1.169 301 L CA 0.773 55.664 54.840 0.085 0.000 0.836 301 L CB 0.841 42.943 42.059 0.072 0.000 1.112 301 L HN 0.688 nan 8.230 nan 0.000 0.465 302 T N 2.724 117.338 114.554 0.101 0.000 2.812 302 T HA 0.495 4.845 4.350 -0.000 0.000 0.294 302 T C -0.122 174.632 174.700 0.091 0.000 1.159 302 T CA -0.630 61.526 62.100 0.094 0.000 1.008 302 T CB 0.507 69.429 68.868 0.089 0.000 1.289 302 T HN 0.460 nan 8.240 nan 0.000 0.514 303 L N 2.045 123.317 121.223 0.082 0.000 3.739 303 L HA -0.212 4.128 4.340 -0.000 0.000 0.442 303 L C 1.541 178.461 176.870 0.085 0.000 1.241 303 L CA 0.357 55.243 54.840 0.076 0.000 0.819 303 L CB -1.049 41.053 42.059 0.071 0.000 1.679 303 L HN 0.786 nan 8.230 nan 0.000 0.889 304 Q N -0.044 119.816 119.800 0.099 0.000 2.541 304 Q HA -0.067 4.273 4.340 -0.000 0.000 0.215 304 Q C 2.132 178.198 176.000 0.109 0.000 0.977 304 Q CA 1.031 56.907 55.803 0.121 0.000 0.934 304 Q CB 0.164 28.996 28.738 0.156 0.000 0.988 304 Q HN 0.805 nan 8.270 nan 0.000 0.521 305 A N 0.944 123.813 122.820 0.082 0.000 2.168 305 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 305 A C 1.841 179.459 177.584 0.056 0.000 1.152 305 A CA 0.564 52.637 52.037 0.060 0.000 0.716 305 A CB -0.123 18.904 19.000 0.046 0.000 0.794 305 A HN 0.214 nan 8.150 nan 0.000 0.465 306 R N -0.060 120.480 120.500 0.066 0.000 2.240 306 R HA 0.079 4.419 4.340 -0.000 0.000 0.203 306 R C -0.041 176.297 176.300 0.064 0.000 1.011 306 R CA 0.445 56.581 56.100 0.059 0.000 1.007 306 R CB 0.138 30.475 30.300 0.061 0.000 0.911 306 R HN 0.609 nan 8.270 nan 0.000 0.468 307 E N 0.125 120.374 120.200 0.083 0.000 2.232 307 E HA 0.001 4.351 4.350 -0.000 0.000 0.265 307 E C 0.465 177.125 176.600 0.100 0.000 1.001 307 E CA -0.478 55.981 56.400 0.098 0.000 0.870 307 E CB 1.209 30.988 29.700 0.130 0.000 1.175 307 E HN -0.001 nan 8.360 nan 0.000 0.407 308 Q N 0.673 120.537 119.800 0.105 0.000 2.152 308 Q HA -0.311 4.029 4.340 -0.000 0.000 0.206 308 Q C 1.712 177.775 176.000 0.106 0.000 0.985 308 Q CA 1.831 57.690 55.803 0.095 0.000 0.863 308 Q CB -0.652 28.146 28.738 0.100 0.000 0.904 308 Q HN 0.726 nan 8.270 nan 0.000 0.422 309 Y N 0.832 121.152 120.300 0.034 0.000 2.070 309 Y HA -0.192 4.358 4.550 -0.000 0.000 0.280 309 Y C 1.915 177.818 175.900 0.006 0.000 1.148 309 Y CA 1.878 59.983 58.100 0.009 0.000 1.125 309 Y CB -0.322 38.127 38.460 -0.018 0.000 0.975 309 Y HN 0.161 nan 8.280 nan 0.000 0.492 310 I N -0.554 119.945 120.570 -0.118 0.000 2.233 310 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 310 I C 2.290 178.334 176.117 -0.121 0.000 1.093 310 I CA 1.446 62.630 61.300 -0.193 0.000 1.380 310 I CB -0.242 37.759 38.000 0.001 0.000 1.067 310 I HN 0.052 nan 8.210 nan 0.000 0.413 311 R N 0.490 120.967 120.500 -0.039 0.000 2.276 311 R HA 0.085 4.425 4.340 -0.000 0.000 0.196 311 R C 1.095 177.380 176.300 -0.024 0.000 0.961 311 R CA 0.204 56.290 56.100 -0.023 0.000 1.024 311 R CB -0.088 30.217 30.300 0.009 0.000 0.940 311 R HN 0.156 nan 8.270 nan 0.000 0.480 312 R N -1.615 118.868 120.500 -0.027 0.000 3.667 312 R HA -0.357 3.983 4.340 -0.000 0.000 0.512 312 R C 1.527 177.827 176.300 0.000 0.000 0.242 312 R CA 2.041 58.132 56.100 -0.015 0.000 1.587 312 R CB -1.834 28.442 30.300 -0.039 0.000 0.889 312 R HN 0.283 nan 8.270 nan 0.000 0.605 313 A N 0.803 123.619 122.820 -0.006 0.000 2.024 313 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 313 A C 1.630 179.216 177.584 0.003 0.000 1.164 313 A CA 2.022 54.059 52.037 -0.000 0.000 0.643 313 A CB -0.330 18.667 19.000 -0.005 0.000 0.806 313 A HN 0.438 nan 8.150 nan 0.000 0.451 314 K N -0.305 120.096 120.400 0.002 0.000 2.387 314 K HA 0.401 4.721 4.320 -0.000 0.000 0.198 314 K C 0.532 177.141 176.600 0.014 0.000 1.022 314 K CA 0.142 56.433 56.287 0.007 0.000 1.128 314 K CB 0.220 32.722 32.500 0.003 0.000 0.853 314 K HN 0.445 nan 8.250 nan 0.000 0.523 315 A N 1.494 124.325 122.820 0.018 0.000 2.492 315 A HA -0.001 4.319 4.320 -0.000 0.000 0.236 315 A C 0.985 178.588 177.584 0.031 0.000 1.078 315 A CA 0.048 52.102 52.037 0.030 0.000 0.773 315 A CB 0.398 19.421 19.000 0.039 0.000 1.023 315 A HN 0.044 nan 8.150 nan 0.000 0.504 316 K N 0.072 120.493 120.400 0.035 0.000 2.211 316 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 316 K C 0.721 177.342 176.600 0.035 0.000 1.050 316 K CA 1.353 57.660 56.287 0.033 0.000 0.945 316 K CB -0.318 32.203 32.500 0.034 0.000 0.732 316 K HN 0.653 nan 8.250 nan 0.000 0.451 317 S N 0.073 115.797 115.700 0.039 0.000 2.588 317 S HA 0.189 4.659 4.470 -0.000 0.000 0.269 317 S C -0.342 174.289 174.600 0.053 0.000 1.157 317 S CA -0.660 57.567 58.200 0.046 0.000 0.824 317 S CB 0.882 64.101 63.200 0.030 0.000 1.126 317 S HN 0.220 nan 8.310 nan 0.000 0.464 318 N N 2.143 120.881 118.700 0.064 0.000 2.336 318 N HA 0.075 4.815 4.740 -0.000 0.000 0.189 318 N C 0.582 176.150 175.510 0.097 0.000 1.113 318 N CA -0.135 52.960 53.050 0.076 0.000 0.858 318 N CB -0.432 38.098 38.487 0.071 0.000 0.970 318 N HN 0.687 nan 8.380 nan 0.000 0.471 319 I N 1.181 121.796 120.570 0.075 0.000 2.741 319 I HA -0.133 4.037 4.170 -0.000 0.000 0.288 319 I C 0.226 176.396 176.117 0.088 0.000 1.192 319 I CA 0.600 61.938 61.300 0.063 0.000 1.426 319 I CB 0.601 38.541 38.000 -0.099 0.000 1.367 319 I HN 0.119 nan 8.210 nan 0.000 0.563 320 T N 4.167 118.803 114.554 0.136 0.000 3.518 320 T HA 0.082 4.431 4.350 -0.000 0.000 0.211 320 T C 0.419 175.189 174.700 0.117 0.000 0.940 320 T CA -0.074 62.108 62.100 0.137 0.000 1.307 320 T CB 0.058 69.025 68.868 0.165 0.000 1.392 320 T HN 0.538 nan 8.240 nan 0.000 0.382 321 T N 4.324 118.973 114.554 0.158 0.000 2.888 321 T HA 0.263 4.613 4.350 -0.000 0.000 0.301 321 T C 0.466 175.286 174.700 0.199 0.000 1.001 321 T CA -0.329 61.853 62.100 0.137 0.000 1.147 321 T CB 0.301 69.258 68.868 0.149 0.000 0.931 321 T HN 0.501 nan 8.240 nan 0.000 0.541 322 N N 2.319 121.078 118.700 0.099 0.000 3.121 322 N HA 0.593 5.333 4.740 -0.000 0.000 0.324 322 N C -0.442 175.148 175.510 0.133 0.000 1.372 322 N CA -0.751 52.357 53.050 0.098 0.000 0.671 322 N CB 0.218 38.689 38.487 -0.026 0.000 1.310 322 N HN 0.492 nan 8.380 nan 0.000 0.494 323 A N -1.065 121.790 122.820 0.058 0.000 3.129 323 A HA 0.295 4.615 4.320 -0.000 0.000 0.282 323 A C 0.837 178.364 177.584 -0.095 0.000 0.948 323 A CA -0.326 51.744 52.037 0.054 0.000 1.027 323 A CB -0.074 19.028 19.000 0.170 0.000 1.123 323 A HN 0.460 nan 8.150 nan 0.000 0.485 324 Q N -0.065 119.654 119.800 -0.135 0.000 2.030 324 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 324 Q C 1.716 177.552 176.000 -0.274 0.000 0.986 324 Q CA 2.304 57.964 55.803 -0.238 0.000 0.843 324 Q CB -0.313 28.315 28.738 -0.183 0.000 0.904 324 Q HN 0.680 nan 8.270 nan 0.000 0.420 325 L N -0.111 121.012 121.223 -0.167 0.000 2.017 325 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 325 L C 2.226 178.980 176.870 -0.192 0.000 1.073 325 L CA 2.601 57.346 54.840 -0.158 0.000 0.745 325 L CB -1.147 40.872 42.059 -0.067 0.000 0.894 325 L HN 0.541 nan 8.230 nan 0.000 0.432 326 T N -3.048 111.429 114.554 -0.128 0.000 2.867 326 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 326 T C 1.883 176.366 174.700 -0.360 0.000 1.057 326 T CA 0.898 62.967 62.100 -0.051 0.000 1.136 326 T CB -0.846 68.132 68.868 0.184 0.000 0.874 326 T HN 0.354 nan 8.240 nan 0.000 0.466 327 A N 1.273 123.607 122.820 -0.809 0.000 1.930 327 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 327 A C 2.250 179.219 177.584 -1.026 0.000 1.175 327 A CA 0.954 51.961 52.037 -1.718 0.000 0.627 327 A CB -0.788 17.200 19.000 -1.686 0.000 0.815 327 A HN 0.403 nan 8.150 nan 0.000 0.443 328 L N -1.008 119.821 121.223 -0.657 0.000 2.141 328 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 328 L C 2.581 179.272 176.870 -0.299 0.000 1.094 328 L CA 1.609 56.184 54.840 -0.441 0.000 0.763 328 L CB -0.627 41.167 42.059 -0.442 0.000 0.908 328 L HN 0.391 nan 8.230 nan 0.000 0.437 329 M N -1.576 117.877 119.600 -0.245 0.000 2.159 329 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 329 M C 2.119 178.411 176.300 -0.013 0.000 1.063 329 M CA 1.650 56.890 55.300 -0.100 0.000 1.110 329 M CB -0.710 31.870 32.600 -0.034 0.000 1.374 329 M HN 0.359 nan 8.290 nan 0.000 0.411 330 G N -0.341 108.427 108.800 -0.054 0.000 2.402 330 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 330 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 330 G C 1.582 176.564 174.900 0.136 0.000 1.162 330 G CA 0.887 46.065 45.100 0.130 0.000 0.777 330 G HN 0.537 nan 8.290 nan 0.000 0.539 331 A N 0.700 123.549 122.820 0.049 0.000 1.902 331 A HA 0.031 4.350 4.320 -0.000 0.000 0.217 331 A C 2.471 180.071 177.584 0.027 0.000 1.181 331 A CA 1.800 53.873 52.037 0.060 0.000 0.623 331 A CB -0.372 18.653 19.000 0.041 0.000 0.818 331 A HN 0.382 nan 8.150 nan 0.000 0.443 332 M N -2.314 117.284 119.600 -0.003 0.000 2.080 332 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 332 M C 2.273 178.609 176.300 0.059 0.000 1.068 332 M CA 2.103 57.402 55.300 -0.001 0.000 1.109 332 M CB -0.580 32.000 32.600 -0.032 0.000 1.342 332 M HN 0.594 nan 8.290 nan 0.000 0.405 333 Y N 1.119 121.409 120.300 -0.016 0.000 2.097 333 Y HA -0.276 4.274 4.550 -0.000 0.000 0.282 333 Y C 2.047 177.947 175.900 0.001 0.000 1.152 333 Y CA 1.563 59.664 58.100 0.002 0.000 1.136 333 Y CB -0.238 38.234 38.460 0.020 0.000 0.975 333 Y HN 0.012 nan 8.280 nan 0.000 0.498 334 L N 0.235 121.548 121.223 0.150 0.000 2.042 334 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 334 L C 2.658 179.497 176.870 -0.051 0.000 1.076 334 L CA 2.094 56.956 54.840 0.038 0.000 0.749 334 L CB -1.745 40.345 42.059 0.052 0.000 0.893 334 L HN 0.388 nan 8.230 nan 0.000 0.432 335 A N -1.213 121.586 122.820 -0.036 0.000 1.930 335 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 335 A C 2.452 179.995 177.584 -0.068 0.000 1.175 335 A CA 1.447 53.456 52.037 -0.047 0.000 0.627 335 A CB -0.733 18.249 19.000 -0.031 0.000 0.815 335 A HN 0.391 nan 8.150 nan 0.000 0.443 336 A N -0.478 122.287 122.820 -0.092 0.000 1.933 336 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 336 A C 2.096 179.591 177.584 -0.148 0.000 1.175 336 A CA 1.504 53.476 52.037 -0.108 0.000 0.628 336 A CB -0.405 18.527 19.000 -0.113 0.000 0.814 336 A HN 0.464 nan 8.150 nan 0.000 0.444 337 L N -1.903 119.184 121.223 -0.227 0.000 2.298 337 L HA 0.302 4.642 4.340 -0.000 0.000 0.209 337 L C 1.450 178.249 176.870 -0.119 0.000 1.084 337 L CA 0.427 55.143 54.840 -0.206 0.000 0.816 337 L CB -0.617 41.245 42.059 -0.328 0.000 0.967 337 L HN 0.627 nan 8.230 nan 0.000 0.460 338 G N 0.405 109.144 108.800 -0.101 0.000 2.796 338 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.226 338 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.226 338 G C -1.975 172.893 174.900 -0.053 0.000 1.381 338 G CA -0.218 44.844 45.100 -0.064 0.000 0.867 338 G HN 0.086 nan 8.290 nan 0.000 0.552 339 P HA -0.077 nan 4.420 nan 0.000 0.216 339 P C 1.316 178.605 177.300 -0.019 0.000 1.153 339 P CA 1.980 65.064 63.100 -0.027 0.000 0.848 339 P CB 0.149 31.834 31.700 -0.025 0.000 0.787 340 E N 0.493 120.680 120.200 -0.021 0.000 2.046 340 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 340 E C 2.370 178.959 176.600 -0.018 0.000 0.982 340 E CA 1.777 58.168 56.400 -0.015 0.000 0.800 340 E CB -1.469 28.222 29.700 -0.015 0.000 0.756 340 E HN 0.175 nan 8.360 nan 0.000 0.449 341 G N 0.729 109.508 108.800 -0.035 0.000 2.442 341 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.219 341 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.219 341 G C 1.540 176.415 174.900 -0.041 0.000 1.141 341 G CA 0.993 46.065 45.100 -0.047 0.000 0.763 341 G HN 0.347 nan 8.290 nan 0.000 0.554 342 L N 0.339 121.537 121.223 -0.041 0.000 2.056 342 L HA 0.167 4.507 4.340 -0.000 0.000 0.207 342 L C 2.744 179.639 176.870 0.041 0.000 1.078 342 L CA 1.912 56.752 54.840 0.001 0.000 0.749 342 L CB -0.486 41.579 42.059 0.010 0.000 0.901 342 L HN 0.221 nan 8.230 nan 0.000 0.433 343 R N -0.382 120.135 120.500 0.029 0.000 2.091 343 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 343 R C 2.119 178.443 176.300 0.040 0.000 1.136 343 R CA 1.939 58.066 56.100 0.044 0.000 0.959 343 R CB -0.194 30.122 30.300 0.027 0.000 0.856 343 R HN 0.531 nan 8.270 nan 0.000 0.437 344 E N -0.414 119.800 120.200 0.023 0.000 2.077 344 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 344 E C 2.010 178.630 176.600 0.033 0.000 0.989 344 E CA 1.525 57.935 56.400 0.018 0.000 0.800 344 E CB 0.016 29.721 29.700 0.007 0.000 0.746 344 E HN 0.167 nan 8.360 nan 0.000 0.452 345 V N 1.513 121.458 119.914 0.052 0.000 2.295 345 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 345 V C 2.362 178.516 176.094 0.099 0.000 1.049 345 V CA 1.874 64.228 62.300 0.089 0.000 1.024 345 V CB -0.751 31.147 31.823 0.125 0.000 0.648 345 V HN 0.323 nan 8.190 nan 0.000 0.447 346 A N -0.266 122.617 122.820 0.104 0.000 1.877 346 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 346 A C 2.235 179.811 177.584 -0.013 0.000 1.186 346 A CA 1.858 53.971 52.037 0.126 0.000 0.620 346 A CB -0.568 18.575 19.000 0.238 0.000 0.822 346 A HN 0.489 nan 8.150 nan 0.000 0.443 347 L N -0.827 120.389 121.223 -0.011 0.000 2.017 347 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 347 L C 2.645 179.459 176.870 -0.092 0.000 1.073 347 L CA 1.899 56.691 54.840 -0.080 0.000 0.745 347 L CB -0.403 41.634 42.059 -0.037 0.000 0.894 347 L HN 0.376 nan 8.230 nan 0.000 0.432 348 K N 0.609 120.993 120.400 -0.027 0.000 2.103 348 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 348 K C 2.249 178.851 176.600 0.004 0.000 1.048 348 K CA 2.014 58.298 56.287 -0.004 0.000 0.930 348 K CB -0.419 32.099 32.500 0.030 0.000 0.716 348 K HN 0.375 nan 8.250 nan 0.000 0.444 349 S N -0.741 114.969 115.700 0.017 0.000 2.383 349 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 349 S C 2.042 176.615 174.600 -0.045 0.000 1.026 349 S CA 1.193 59.424 58.200 0.051 0.000 0.981 349 S CB -0.648 62.636 63.200 0.140 0.000 0.818 349 S HN 0.053 nan 8.310 nan 0.000 0.472 350 V N 2.317 122.081 119.914 -0.249 0.000 2.358 350 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 350 V C 2.832 178.691 176.094 -0.393 0.000 1.047 350 V CA 2.131 64.161 62.300 -0.449 0.000 1.035 350 V CB -0.875 30.505 31.823 -0.738 0.000 0.658 350 V HN 0.642 nan 8.190 nan 0.000 0.452 351 E N -0.147 119.895 120.200 -0.264 0.000 2.038 351 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 351 E C 2.299 178.892 176.600 -0.011 0.000 1.000 351 E CA 1.618 57.917 56.400 -0.168 0.000 0.803 351 E CB -0.093 29.553 29.700 -0.089 0.000 0.750 351 E HN 0.347 nan 8.360 nan 0.000 0.448 352 M N 0.374 120.006 119.600 0.054 0.000 2.213 352 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 352 M C 2.363 178.800 176.300 0.228 0.000 1.062 352 M CA 1.396 56.782 55.300 0.144 0.000 1.105 352 M CB -1.156 31.558 32.600 0.189 0.000 1.385 352 M HN 0.246 nan 8.290 nan 0.000 0.417 353 A N -0.639 122.347 122.820 0.277 0.000 1.898 353 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 353 A C 1.992 179.943 177.584 0.611 0.000 1.181 353 A CA 1.373 53.712 52.037 0.502 0.000 0.620 353 A CB -1.060 18.267 19.000 0.545 0.000 0.819 353 A HN 0.577 nan 8.150 nan 0.000 0.442 354 H N -0.440 118.782 119.070 0.254 0.000 2.326 354 H HA -0.073 4.483 4.556 -0.000 0.000 0.301 354 H C 2.065 177.458 175.328 0.109 0.000 1.081 354 H CA 1.362 57.503 56.048 0.154 0.000 1.334 354 H CB 0.014 29.742 29.762 -0.057 0.000 1.385 354 H HN 0.437 nan 8.280 nan 0.000 0.504 355 K N 0.495 121.023 120.400 0.213 0.000 2.103 355 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 355 K C 2.170 178.814 176.600 0.074 0.000 1.048 355 K CA 1.048 57.401 56.287 0.111 0.000 0.930 355 K CB -0.123 32.428 32.500 0.086 0.000 0.716 355 K HN 0.078 nan 8.250 nan 0.000 0.444 356 L N 0.751 122.047 121.223 0.122 0.000 2.109 356 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 356 L C 2.383 179.229 176.870 -0.040 0.000 1.086 356 L CA 1.731 56.601 54.840 0.050 0.000 0.760 356 L CB -0.595 41.551 42.059 0.145 0.000 0.910 356 L HN 0.291 nan 8.230 nan 0.000 0.437 357 H N -0.125 118.799 119.070 -0.244 0.000 2.290 357 H HA -0.165 4.391 4.556 -0.000 0.000 0.298 357 H C 1.916 177.013 175.328 -0.386 0.000 1.087 357 H CA 1.814 57.402 56.048 -0.767 0.000 1.291 357 H CB 0.122 29.312 29.762 -0.953 0.000 1.369 357 H HN 0.456 nan 8.280 nan 0.000 0.492 358 A N 1.347 124.116 122.820 -0.086 0.000 1.908 358 A HA -0.117 4.202 4.320 -0.000 0.000 0.218 358 A C 2.948 180.437 177.584 -0.159 0.000 1.181 358 A CA 1.431 53.414 52.037 -0.089 0.000 0.627 358 A CB -0.917 18.080 19.000 -0.005 0.000 0.818 358 A HN 0.434 nan 8.150 nan 0.000 0.445 359 L N -1.146 119.989 121.223 -0.146 0.000 2.017 359 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 359 L C 2.350 179.092 176.870 -0.214 0.000 1.073 359 L CA 0.782 55.529 54.840 -0.156 0.000 0.745 359 L CB -0.525 41.449 42.059 -0.141 0.000 0.894 359 L HN 0.275 nan 8.230 nan 0.000 0.432 360 L N -0.878 120.171 121.223 -0.289 0.000 2.201 360 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 360 L C 2.206 178.901 176.870 -0.293 0.000 1.105 360 L CA 1.323 55.963 54.840 -0.334 0.000 0.775 360 L CB -0.830 40.953 42.059 -0.460 0.000 0.913 360 L HN 0.158 nan 8.230 nan 0.000 0.440 361 L N -0.713 120.319 121.223 -0.318 0.000 2.362 361 L HA -0.139 4.201 4.340 -0.000 0.000 0.219 361 L C 2.292 179.060 176.870 -0.170 0.000 1.134 361 L CA 1.274 55.956 54.840 -0.265 0.000 0.807 361 L CB -0.638 41.239 42.059 -0.303 0.000 0.927 361 L HN 0.383 nan 8.230 nan 0.000 0.447 362 E N -1.445 118.662 120.200 -0.155 0.000 2.299 362 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 362 E C 0.540 177.076 176.600 -0.106 0.000 0.998 362 E CA -0.053 56.279 56.400 -0.113 0.000 0.851 362 E CB 0.155 29.794 29.700 -0.102 0.000 0.795 362 E HN 0.137 nan 8.360 nan 0.000 0.492 363 V N 5.089 124.927 119.914 -0.127 0.000 2.493 363 V HA -0.005 4.115 4.120 -0.000 0.000 0.292 363 V C -1.939 174.103 176.094 -0.087 0.000 1.016 363 V CA -1.029 61.204 62.300 -0.111 0.000 1.097 363 V CB -0.115 31.628 31.823 -0.134 0.000 0.947 363 V HN 0.101 nan 8.190 nan 0.000 0.479 364 P HA 0.055 nan 4.420 nan 0.000 0.261 364 P C 0.926 178.199 177.300 -0.046 0.000 1.183 364 P CA 1.403 64.472 63.100 -0.052 0.000 0.761 364 P CB 0.621 32.295 31.700 -0.043 0.000 0.785 365 G N 1.999 110.776 108.800 -0.039 0.000 2.234 365 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.235 365 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.235 365 G C -0.036 174.845 174.900 -0.031 0.000 0.997 365 G CA -0.109 44.974 45.100 -0.029 0.000 0.623 365 G HN 0.542 nan 8.290 nan 0.000 0.514 366 V N 2.064 121.947 119.914 -0.051 0.000 2.427 366 V HA 0.671 4.791 4.120 -0.000 0.000 0.268 366 V C 0.671 176.729 176.094 -0.059 0.000 1.046 366 V CA -0.001 62.263 62.300 -0.060 0.000 0.970 366 V CB 1.078 32.837 31.823 -0.107 0.000 1.001 366 V HN 0.384 nan 8.190 nan 0.000 0.476 367 R N 6.482 126.967 120.500 -0.025 0.000 2.778 367 R HA 0.617 4.957 4.340 -0.000 0.000 0.277 367 R C -2.638 173.672 176.300 0.017 0.000 0.977 367 R CA -2.276 53.819 56.100 -0.008 0.000 0.950 367 R CB 1.745 32.060 30.300 0.025 0.000 1.165 367 R HN 0.387 nan 8.270 nan 0.000 0.474 368 P HA 0.159 nan 4.420 nan 0.000 0.274 368 P C -0.553 176.855 177.300 0.180 0.000 1.237 368 P CA 0.022 63.163 63.100 0.068 0.000 0.793 368 P CB 0.927 32.665 31.700 0.063 0.000 0.977 369 F N -0.156 119.825 119.950 0.051 0.000 2.334 369 F HA 0.183 4.710 4.527 -0.000 0.000 0.269 369 F C 0.529 176.361 175.800 0.053 0.000 0.879 369 F CA 0.470 58.499 58.000 0.049 0.000 1.102 369 F CB -0.158 38.868 39.000 0.043 0.000 1.032 369 F HN 0.065 nan 8.300 nan 0.000 0.782 370 T N 5.389 120.018 114.554 0.125 0.000 2.853 370 T HA 0.222 4.572 4.350 -0.000 0.000 0.298 370 T C -2.399 172.308 174.700 0.011 0.000 0.978 370 T CA -0.837 61.276 62.100 0.021 0.000 1.152 370 T CB 0.739 69.627 68.868 0.033 0.000 0.914 370 T HN 0.072 nan 8.240 nan 0.000 0.539 371 P HA 0.370 nan 4.420 nan 0.000 0.276 371 P C -0.730 176.656 177.300 0.143 0.000 1.252 371 P CA -0.813 62.310 63.100 0.038 0.000 0.802 371 P CB 0.894 32.585 31.700 -0.015 0.000 1.035 372 K N 1.529 121.974 120.400 0.076 0.000 2.174 372 K HA 0.425 4.745 4.320 -0.000 0.000 0.275 372 K C -1.779 174.824 176.600 0.005 0.000 1.015 372 K CA -1.597 54.690 56.287 -0.000 0.000 0.933 372 K CB -0.609 31.829 32.500 -0.103 0.000 1.025 372 K HN 0.429 nan 8.250 nan 0.000 0.463 373 P HA 0.314 nan 4.420 nan 0.000 0.294 373 P C -1.155 176.178 177.300 0.055 0.000 1.294 373 P CA -0.623 62.432 63.100 -0.076 0.000 0.827 373 P CB 0.658 32.345 31.700 -0.022 0.000 0.992 374 F N 0.941 120.921 119.950 0.050 0.000 2.572 374 F HA 0.621 5.148 4.527 -0.000 0.000 0.342 374 F C 0.350 176.363 175.800 0.356 0.000 1.064 374 F CA -1.189 56.904 58.000 0.155 0.000 1.008 374 F CB 0.173 39.228 39.000 0.092 0.000 1.303 374 F HN 0.167 nan 8.300 nan 0.000 0.492 375 F N 1.011 121.227 119.950 0.444 0.000 2.646 375 F HA 0.284 4.811 4.527 -0.000 0.000 0.180 375 F C 1.737 177.800 175.800 0.438 0.000 1.185 375 F CA 0.458 58.654 58.000 0.325 0.000 0.926 375 F CB -0.193 38.930 39.000 0.206 0.000 1.668 375 F HN 0.628 nan 8.300 nan 0.000 0.658 376 N N -0.538 118.352 118.700 0.317 0.000 2.268 376 N HA 0.149 4.889 4.740 -0.000 0.000 0.204 376 N C -0.745 174.950 175.510 0.308 0.000 1.124 376 N CA 0.046 53.236 53.050 0.232 0.000 0.838 376 N CB 0.528 39.093 38.487 0.129 0.000 0.994 376 N HN 0.357 nan 8.380 nan 0.000 0.489 377 E N 0.446 120.851 120.200 0.341 0.000 2.383 377 E HA 0.452 4.802 4.350 -0.000 0.000 0.275 377 E C -1.672 174.965 176.600 0.063 0.000 0.918 377 E CA -0.927 55.510 56.400 0.062 0.000 0.764 377 E CB 2.126 31.808 29.700 -0.030 0.000 1.252 377 E HN 0.223 nan 8.360 nan 0.000 0.449 378 F N -1.026 118.857 119.950 -0.113 0.000 2.703 378 F HA 0.762 5.289 4.527 -0.000 0.000 0.308 378 F C -1.577 174.150 175.800 -0.122 0.000 1.126 378 F CA -1.182 56.638 58.000 -0.301 0.000 0.959 378 F CB 0.689 39.184 39.000 -0.841 0.000 1.297 378 F HN 0.434 nan 8.300 nan 0.000 0.441 379 A N 3.177 126.064 122.820 0.112 0.000 2.324 379 A HA 0.901 5.221 4.320 -0.000 0.000 0.330 379 A C -1.310 176.453 177.584 0.299 0.000 1.165 379 A CA -0.803 51.296 52.037 0.105 0.000 0.813 379 A CB 1.096 20.098 19.000 0.004 0.000 1.197 379 A HN 0.848 nan 8.150 nan 0.000 0.484 380 L N 0.907 122.290 121.223 0.266 0.000 2.301 380 L HA 0.758 5.098 4.340 -0.000 0.000 0.264 380 L C 0.357 177.299 176.870 0.119 0.000 1.016 380 L CA -0.959 54.017 54.840 0.228 0.000 0.821 380 L CB 2.159 44.350 42.059 0.221 0.000 1.346 380 L HN 0.756 nan 8.230 nan 0.000 0.429 381 A N 2.530 125.410 122.820 0.100 0.000 2.252 381 A HA 0.703 5.023 4.320 -0.000 0.000 0.309 381 A C -0.638 176.964 177.584 0.032 0.000 1.285 381 A CA -0.378 51.683 52.037 0.040 0.000 0.900 381 A CB 0.163 19.210 19.000 0.079 0.000 1.157 381 A HN 0.570 nan 8.150 nan 0.000 0.536 382 L N 4.184 125.419 121.223 0.020 0.000 2.344 382 L HA 0.457 4.797 4.340 -0.000 0.000 0.272 382 L C -1.204 175.670 176.870 0.005 0.000 1.035 382 L CA -1.942 52.910 54.840 0.021 0.000 0.807 382 L CB 1.999 44.084 42.059 0.043 0.000 1.237 382 L HN 0.556 nan 8.230 nan 0.000 0.442 383 P HA 0.014 nan 4.420 nan 0.000 0.245 383 P C -0.283 177.016 177.300 -0.002 0.000 1.212 383 P CA 0.823 63.921 63.100 -0.003 0.000 0.774 383 P CB 0.452 32.147 31.700 -0.009 0.000 0.999 384 K N 0.011 120.411 120.400 0.001 0.000 2.444 384 K HA 0.269 4.589 4.320 -0.000 0.000 0.252 384 K C -0.930 175.671 176.600 0.001 0.000 0.993 384 K CA -0.921 55.367 56.287 0.002 0.000 0.847 384 K CB 1.263 33.765 32.500 0.003 0.000 1.340 384 K HN -0.280 nan 8.250 nan 0.000 0.446 385 D N 2.794 123.194 120.400 0.000 0.000 2.472 385 D HA -0.031 4.609 4.640 -0.000 0.000 0.248 385 D C -1.227 175.071 176.300 -0.002 0.000 1.174 385 D CA -1.220 52.779 54.000 -0.003 0.000 0.883 385 D CB 0.892 41.692 40.800 -0.000 0.000 1.149 385 D HN 0.133 nan 8.370 nan 0.000 0.488 386 P HA -0.255 nan 4.420 nan 0.000 0.216 386 P C 0.799 178.089 177.300 -0.016 0.000 1.157 386 P CA 1.530 64.616 63.100 -0.023 0.000 0.880 386 P CB 0.193 31.864 31.700 -0.050 0.000 0.791 387 E N -0.056 120.138 120.200 -0.009 0.000 2.077 387 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 387 E C 2.334 178.943 176.600 0.015 0.000 0.989 387 E CA 1.261 57.663 56.400 0.004 0.000 0.800 387 E CB -0.557 29.148 29.700 0.008 0.000 0.746 387 E HN 0.215 nan 8.360 nan 0.000 0.452 388 A N 0.979 123.807 122.820 0.013 0.000 1.902 388 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 388 A C 2.506 180.103 177.584 0.023 0.000 1.181 388 A CA 1.205 53.253 52.037 0.017 0.000 0.623 388 A CB -0.627 18.380 19.000 0.012 0.000 0.818 388 A HN 0.118 nan 8.150 nan 0.000 0.443 389 V N -0.028 119.899 119.914 0.022 0.000 2.358 389 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 389 V C 2.642 178.764 176.094 0.046 0.000 1.047 389 V CA 2.232 64.552 62.300 0.033 0.000 1.035 389 V CB -0.794 31.054 31.823 0.042 0.000 0.658 389 V HN 0.677 nan 8.190 nan 0.000 0.452 390 R N 0.284 120.806 120.500 0.037 0.000 2.073 390 R HA -0.235 4.105 4.340 -0.000 0.000 0.234 390 R C 2.475 178.820 176.300 0.075 0.000 1.134 390 R CA 2.138 58.272 56.100 0.055 0.000 0.952 390 R CB -0.245 30.075 30.300 0.034 0.000 0.850 390 R HN 0.465 nan 8.270 nan 0.000 0.433 391 R N 0.394 120.929 120.500 0.058 0.000 2.070 391 R HA -0.091 4.249 4.340 -0.000 0.000 0.233 391 R C 2.108 178.443 176.300 0.057 0.000 1.137 391 R CA 1.974 58.109 56.100 0.059 0.000 0.945 391 R CB -0.655 29.672 30.300 0.044 0.000 0.845 391 R HN 0.291 nan 8.270 nan 0.000 0.430 392 A N 0.613 123.461 122.820 0.048 0.000 1.908 392 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 392 A C 2.102 179.722 177.584 0.060 0.000 1.181 392 A CA 1.524 53.587 52.037 0.043 0.000 0.627 392 A CB -0.704 18.314 19.000 0.029 0.000 0.818 392 A HN 0.374 nan 8.150 nan 0.000 0.445 393 L N -0.624 120.644 121.223 0.074 0.000 2.093 393 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 393 L C 2.818 179.783 176.870 0.159 0.000 1.085 393 L CA 1.793 56.700 54.840 0.113 0.000 0.755 393 L CB -0.762 41.373 42.059 0.127 0.000 0.904 393 L HN 0.388 nan 8.230 nan 0.000 0.435 394 A N -1.046 121.837 122.820 0.104 0.000 1.929 394 A HA -0.171 4.148 4.320 -0.000 0.000 0.216 394 A C 2.086 179.689 177.584 0.032 0.000 1.176 394 A CA 1.339 53.403 52.037 0.045 0.000 0.628 394 A CB -0.448 18.592 19.000 0.067 0.000 0.816 394 A HN 0.538 nan 8.150 nan 0.000 0.444 395 E N -0.416 119.817 120.200 0.054 0.000 2.338 395 E HA -0.117 4.233 4.350 -0.000 0.000 0.197 395 E C 1.422 178.058 176.600 0.060 0.000 1.007 395 E CA 0.617 57.044 56.400 0.045 0.000 0.849 395 E CB -0.094 29.632 29.700 0.042 0.000 0.774 395 E HN 0.510 nan 8.360 nan 0.000 0.506 396 R N -0.337 120.231 120.500 0.113 0.000 2.427 396 R HA 0.121 4.461 4.340 -0.000 0.000 0.262 396 R C 0.721 177.142 176.300 0.202 0.000 0.943 396 R CA 0.397 56.607 56.100 0.183 0.000 1.081 396 R CB 0.772 31.217 30.300 0.242 0.000 1.166 396 R HN 0.186 nan 8.270 nan 0.000 0.534 397 G N 0.833 109.656 108.800 0.039 0.000 2.147 397 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.244 397 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.244 397 G C -0.239 174.441 174.900 -0.368 0.000 1.005 397 G CA -0.170 44.825 45.100 -0.176 0.000 0.713 397 G HN 0.220 nan 8.290 nan 0.000 0.515 398 F N 0.721 120.618 119.950 -0.088 0.000 2.482 398 F HA 0.547 5.074 4.527 -0.000 0.000 0.331 398 F C 0.427 176.208 175.800 -0.032 0.000 1.115 398 F CA -1.070 56.924 58.000 -0.010 0.000 0.955 398 F CB 1.524 40.575 39.000 0.085 0.000 1.136 398 F HN 0.030 nan 8.300 nan 0.000 0.452 399 H N 2.255 121.506 119.070 0.302 0.000 2.690 399 H HA 0.658 5.214 4.556 -0.000 0.000 0.289 399 H C 0.247 175.745 175.328 0.283 0.000 1.089 399 H CA -0.487 55.691 56.048 0.217 0.000 1.299 399 H CB 0.966 30.806 29.762 0.129 0.000 1.405 399 H HN 0.835 nan 8.280 nan 0.000 0.463 400 G N 0.382 109.380 108.800 0.331 0.000 2.559 400 G HA2 0.475 4.434 3.960 -0.000 0.000 0.291 400 G HA3 0.475 4.434 3.960 -0.000 0.000 0.291 400 G C -0.999 173.897 174.900 -0.008 0.000 1.424 400 G CA -0.142 45.102 45.100 0.240 0.000 0.786 400 G HN 0.645 nan 8.290 nan 0.000 0.485 401 A N -0.605 121.936 122.820 -0.465 0.000 2.238 401 A HA 0.252 4.572 4.320 -0.000 0.000 0.273 401 A C 0.479 177.825 177.584 -0.396 0.000 1.399 401 A CA 1.205 52.811 52.037 -0.719 0.000 0.723 401 A CB -1.888 16.995 19.000 -0.195 0.000 1.170 401 A HN 2.411 nan 8.150 nan 0.000 0.336 402 T N 3.392 117.680 114.554 -0.443 0.000 2.723 402 T HA 0.537 4.887 4.350 -0.000 0.000 0.297 402 T C -1.578 172.989 174.700 -0.222 0.000 0.925 402 T CA -1.288 60.668 62.100 -0.241 0.000 1.030 402 T CB 0.287 69.035 68.868 -0.200 0.000 0.905 402 T HN 0.595 nan 8.240 nan 0.000 0.502 403 P HA 0.040 nan 4.420 nan 0.000 0.263 403 P C -0.580 176.691 177.300 -0.048 0.000 1.175 403 P CA -0.092 62.957 63.100 -0.086 0.000 0.761 403 P CB 0.471 32.149 31.700 -0.038 0.000 0.794 404 V N 6.287 126.170 119.914 -0.051 0.000 2.394 404 V HA 0.251 4.371 4.120 -0.000 0.000 0.282 404 V C -1.594 174.553 176.094 0.089 0.000 1.031 404 V CA -1.925 60.393 62.300 0.029 0.000 0.881 404 V CB 1.034 32.809 31.823 -0.080 0.000 0.982 404 V HN 0.585 nan 8.190 nan 0.000 0.451 405 P HA 0.085 nan 4.420 nan 0.000 0.265 405 P C 0.360 177.734 177.300 0.123 0.000 1.187 405 P CA -0.224 62.949 63.100 0.121 0.000 0.766 405 P CB 0.945 32.708 31.700 0.104 0.000 0.820 406 R N 1.873 122.399 120.500 0.042 0.000 2.211 406 R HA -0.201 4.139 4.340 -0.000 0.000 0.240 406 R C 2.220 178.522 176.300 0.002 0.000 1.144 406 R CA 1.958 58.068 56.100 0.016 0.000 0.992 406 R CB -0.804 29.494 30.300 -0.003 0.000 0.869 406 R HN 0.683 nan 8.270 nan 0.000 0.462 407 E N -1.225 118.948 120.200 -0.045 0.000 2.273 407 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 407 E C 0.784 177.267 176.600 -0.195 0.000 1.002 407 E CA 1.369 57.674 56.400 -0.158 0.000 0.828 407 E CB -0.284 29.244 29.700 -0.287 0.000 0.747 407 E HN 0.481 nan 8.360 nan 0.000 0.491 408 Y N 0.543 120.847 120.300 0.006 0.000 2.497 408 Y HA 0.353 4.903 4.550 -0.000 0.000 0.265 408 Y C 1.200 177.091 175.900 -0.016 0.000 1.111 408 Y CA 0.591 58.716 58.100 0.043 0.000 1.288 408 Y CB 1.437 39.931 38.460 0.057 0.000 1.082 408 Y HN 0.255 nan 8.280 nan 0.000 0.536 409 G N -0.440 108.390 108.800 0.050 0.000 2.368 409 G HA2 0.088 4.048 3.960 -0.000 0.000 0.302 409 G HA3 0.088 4.048 3.960 -0.000 0.000 0.302 409 G C -1.692 173.153 174.900 -0.091 0.000 1.329 409 G CA -1.149 43.919 45.100 -0.055 0.000 0.935 409 G HN -0.213 nan 8.290 nan 0.000 0.590 410 E N 1.022 121.172 120.200 -0.083 0.000 2.277 410 E HA 0.353 4.703 4.350 -0.000 0.000 0.274 410 E C 0.331 176.876 176.600 -0.091 0.000 1.022 410 E CA -0.686 55.676 56.400 -0.063 0.000 0.853 410 E CB 0.793 30.479 29.700 -0.025 0.000 1.086 410 E HN 0.556 nan 8.360 nan 0.000 0.397 411 N N 1.147 119.808 118.700 -0.065 0.000 2.714 411 N HA -0.219 4.521 4.740 -0.000 0.000 0.252 411 N C -0.678 174.779 175.510 -0.089 0.000 1.014 411 N CA 0.703 53.718 53.050 -0.058 0.000 0.735 411 N CB -1.200 37.268 38.487 -0.032 0.000 0.924 411 N HN 0.379 nan 8.380 nan 0.000 0.540 412 L N -0.165 120.974 121.223 -0.140 0.000 2.334 412 L HA 0.792 5.131 4.340 -0.000 0.000 0.275 412 L C 0.579 177.363 176.870 -0.143 0.000 1.036 412 L CA -0.693 54.032 54.840 -0.192 0.000 0.807 412 L CB 1.818 43.659 42.059 -0.364 0.000 1.231 412 L HN 0.190 nan 8.230 nan 0.000 0.438 413 A N 3.383 126.126 122.820 -0.128 0.000 2.488 413 A HA 0.720 5.040 4.320 -0.000 0.000 0.298 413 A C -1.146 176.240 177.584 -0.329 0.000 1.044 413 A CA -0.493 51.408 52.037 -0.227 0.000 0.693 413 A CB 1.382 20.260 19.000 -0.203 0.000 1.272 413 A HN 0.609 nan 8.150 nan 0.000 0.402 414 L N 1.538 122.455 121.223 -0.510 0.000 2.325 414 L HA 0.663 5.003 4.340 -0.000 0.000 0.279 414 L C -1.063 175.290 176.870 -0.860 0.000 1.054 414 L CA -0.267 54.236 54.840 -0.561 0.000 0.804 414 L CB 1.141 42.876 42.059 -0.539 0.000 1.200 414 L HN 0.700 nan 8.230 nan 0.000 0.436 415 F N 1.169 120.763 119.950 -0.594 0.000 2.576 415 F HA 0.774 5.301 4.527 -0.000 0.000 0.313 415 F C 0.142 175.602 175.800 -0.567 0.000 1.078 415 F CA -0.574 57.102 58.000 -0.541 0.000 0.921 415 F CB 2.059 40.670 39.000 -0.648 0.000 1.232 415 F HN 0.415 nan 8.300 nan 0.000 0.459 416 A N 1.189 123.996 122.820 -0.023 0.000 2.515 416 A HA 0.990 5.310 4.320 -0.000 0.000 0.296 416 A C -1.649 176.083 177.584 0.247 0.000 1.094 416 A CA -0.593 51.471 52.037 0.045 0.000 0.718 416 A CB 1.588 20.597 19.000 0.014 0.000 1.307 416 A HN 1.154 nan 8.150 nan 0.000 0.408 417 A N 0.179 123.157 122.820 0.264 0.000 2.475 417 A HA 0.946 5.266 4.320 -0.000 0.000 0.301 417 A C -0.104 177.650 177.584 0.283 0.000 1.059 417 A CA 0.124 52.401 52.037 0.400 0.000 0.710 417 A CB 1.391 20.612 19.000 0.370 0.000 1.288 417 A HN 2.120 nan 8.150 nan 0.000 0.408 418 T N -1.875 112.860 114.554 0.302 0.000 2.831 418 T HA 0.526 4.875 4.350 -0.000 0.000 0.287 418 T C 0.668 175.396 174.700 0.048 0.000 1.070 418 T CA 0.187 62.287 62.100 0.000 0.000 1.010 418 T CB 1.289 69.921 68.868 -0.394 0.000 1.264 418 T HN 0.746 nan 8.240 nan 0.000 0.532 419 E N 0.799 121.049 120.200 0.083 0.000 2.472 419 E HA -0.078 4.272 4.350 -0.000 0.000 0.200 419 E C 1.346 177.955 176.600 0.016 0.000 1.046 419 E CA 0.870 57.317 56.400 0.079 0.000 0.871 419 E CB -0.610 29.165 29.700 0.125 0.000 0.806 419 E HN 0.658 nan 8.360 nan 0.000 0.533 420 L N -1.710 119.460 121.223 -0.088 0.000 2.667 420 L HA 0.412 4.752 4.340 -0.000 0.000 0.232 420 L C 0.200 176.986 176.870 -0.140 0.000 1.138 420 L CA -0.463 54.302 54.840 -0.125 0.000 0.921 420 L CB -1.072 40.895 42.059 -0.152 0.000 1.180 420 L HN -0.112 nan 8.230 nan 0.000 0.487 421 H N 0.981 120.038 119.070 -0.021 0.000 2.527 421 H HA 0.520 5.076 4.556 -0.000 0.000 0.321 421 H C -0.281 175.090 175.328 0.073 0.000 1.087 421 H CA -0.374 55.685 56.048 0.019 0.000 1.337 421 H CB 1.096 30.903 29.762 0.074 0.000 1.440 421 H HN 0.332 nan 8.280 nan 0.000 0.490 422 E N 1.913 122.248 120.200 0.225 0.000 2.264 422 E HA 0.029 4.379 4.350 -0.000 0.000 0.260 422 E C 0.760 177.451 176.600 0.151 0.000 0.961 422 E CA -0.649 55.841 56.400 0.150 0.000 0.834 422 E CB 1.824 31.587 29.700 0.106 0.000 1.230 422 E HN 0.661 nan 8.360 nan 0.000 0.412 423 E N 1.670 121.932 120.200 0.105 0.000 2.086 423 E HA -0.324 4.026 4.350 -0.000 0.000 0.205 423 E C 1.656 178.307 176.600 0.086 0.000 1.027 423 E CA 2.620 59.069 56.400 0.082 0.000 0.830 423 E CB -0.055 29.679 29.700 0.056 0.000 0.751 423 E HN 0.626 nan 8.360 nan 0.000 0.456 424 E N -0.225 120.030 120.200 0.091 0.000 2.209 424 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 424 E C 1.499 178.184 176.600 0.142 0.000 0.993 424 E CA 1.415 57.873 56.400 0.096 0.000 0.819 424 E CB -0.238 29.515 29.700 0.089 0.000 0.745 424 E HN 0.367 nan 8.360 nan 0.000 0.477 425 D N 1.366 121.886 120.400 0.200 0.000 2.123 425 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 425 D C 2.250 178.721 176.300 0.284 0.000 0.976 425 D CA 0.886 55.085 54.000 0.332 0.000 0.831 425 D CB -0.125 40.942 40.800 0.445 0.000 0.974 425 D HN 0.276 nan 8.370 nan 0.000 0.469 426 L N 0.210 121.519 121.223 0.144 0.000 2.046 426 L HA -0.173 4.166 4.340 -0.000 0.000 0.208 426 L C 2.383 179.178 176.870 -0.126 0.000 1.077 426 L CA 0.565 55.354 54.840 -0.085 0.000 0.747 426 L CB -0.419 41.625 42.059 -0.025 0.000 0.896 426 L HN 0.032 nan 8.230 nan 0.000 0.432 427 L N 0.265 121.467 121.223 -0.035 0.000 2.046 427 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 427 L C 2.832 179.665 176.870 -0.062 0.000 1.077 427 L CA 2.036 56.846 54.840 -0.051 0.000 0.747 427 L CB -1.344 40.711 42.059 -0.008 0.000 0.896 427 L HN 0.170 nan 8.230 nan 0.000 0.432 428 A N -0.958 121.876 122.820 0.024 0.000 1.933 428 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 428 A C 2.280 179.732 177.584 -0.219 0.000 1.175 428 A CA 1.777 53.856 52.037 0.069 0.000 0.628 428 A CB -0.776 18.431 19.000 0.345 0.000 0.814 428 A HN 0.353 nan 8.150 nan 0.000 0.444 429 L N -0.188 120.885 121.223 -0.250 0.000 2.005 429 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 429 L C 2.451 179.017 176.870 -0.507 0.000 1.072 429 L CA 2.374 56.868 54.840 -0.576 0.000 0.744 429 L CB -0.628 41.057 42.059 -0.624 0.000 0.895 429 L HN 0.454 nan 8.230 nan 0.000 0.433 430 R N -0.591 119.686 120.500 -0.371 0.000 2.096 430 R HA -0.202 4.138 4.340 -0.000 0.000 0.240 430 R C 2.132 178.279 176.300 -0.256 0.000 1.139 430 R CA 1.791 57.712 56.100 -0.300 0.000 0.952 430 R CB -0.259 29.902 30.300 -0.230 0.000 0.854 430 R HN 0.433 nan 8.270 nan 0.000 0.436 431 E N 0.248 120.311 120.200 -0.229 0.000 2.085 431 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 431 E C 1.875 178.344 176.600 -0.219 0.000 0.994 431 E CA 1.426 57.718 56.400 -0.180 0.000 0.801 431 E CB -0.330 29.294 29.700 -0.125 0.000 0.743 431 E HN 0.491 nan 8.360 nan 0.000 0.453 432 A N 1.136 123.734 122.820 -0.370 0.000 1.877 432 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 432 A C 2.269 179.702 177.584 -0.252 0.000 1.186 432 A CA 1.394 53.195 52.037 -0.392 0.000 0.620 432 A CB -0.647 17.832 19.000 -0.869 0.000 0.822 432 A HN 0.253 nan 8.150 nan 0.000 0.443 433 L N 0.091 121.157 121.223 -0.262 0.000 2.046 433 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 433 L C 2.301 179.094 176.870 -0.128 0.000 1.077 433 L CA 2.622 57.362 54.840 -0.167 0.000 0.747 433 L CB -0.566 41.376 42.059 -0.195 0.000 0.896 433 L HN 0.482 nan 8.230 nan 0.000 0.432 434 K N -0.552 119.763 120.400 -0.142 0.000 2.063 434 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 434 K C 1.985 178.538 176.600 -0.079 0.000 1.048 434 K CA 1.957 58.181 56.287 -0.105 0.000 0.928 434 K CB -0.119 32.319 32.500 -0.105 0.000 0.713 434 K HN 0.507 nan 8.250 nan 0.000 0.442 435 E N 0.012 120.161 120.200 -0.084 0.000 2.047 435 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 435 E C 1.922 178.497 176.600 -0.042 0.000 0.987 435 E CA 1.507 57.873 56.400 -0.057 0.000 0.799 435 E CB 0.011 29.679 29.700 -0.054 0.000 0.752 435 E HN 0.348 nan 8.360 nan 0.000 0.449 436 V N -0.386 119.501 119.914 -0.046 0.000 2.759 436 V HA -0.074 4.046 4.120 -0.000 0.000 0.256 436 V C 0.966 177.047 176.094 -0.021 0.000 1.080 436 V CA 0.634 62.919 62.300 -0.024 0.000 1.101 436 V CB -0.367 31.446 31.823 -0.016 0.000 0.698 436 V HN -0.043 nan 8.190 nan 0.000 0.477 437 L N 0.000 121.203 121.223 -0.033 0.000 2.949 437 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 437 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 437 L CB 0.000 42.036 42.059 -0.038 0.000 0.961 437 L HN 0.000 nan 8.230 nan 0.000 0.502