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 1ttt_1_C DATA FIRST_RESID 1 DATA SEQUENCE AKGEFIRTKP HVNVGTIGHV DHGKTTLTAA LTYVAAAENP NVEVKDYGDI DATA SEQUENCE DKAPEERARG ITINTAHVEY ETAKRHYSHV DCPGHADYIK NMITGAAQMD DATA SEQUENCE GAILVVSAAD GPMPQTREHI LLARQVGVPY IVVFMNKVDM VDDPELLDLV DATA SEQUENCE EMEVRDLLNQ YEFPGDEVPV IRGSALLALE EMHKNPKTKR GENEWVDKIW DATA SEQUENCE ELLDAIDEYI PTPVRDVDKP FLMPVEDVFT ITGRGTVATG RIERGKVKVG DATA SEQUENCE DEVEIVGLAP ETRKTVVTGV EMHRKTLQEG IAGDNVGLLL RGVSREEVER DATA SEQUENCE GQVLAKPGSI TPHTKFEASV YILKKEEGGR HTGFFTGYRP QFYFRTTDVT DATA SEQUENCE GVVRLPQGVE MVMPGDNVTF TVELIKPVAL EEGLRFAIRE GGRTVGAGVV DATA SEQUENCE TKILE 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.592 177.584 0.013 0.000 1.274 1 A CA 0.000 52.043 52.037 0.010 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 2 K N -0.043 120.371 120.400 0.025 0.000 3.248 2 K HA 0.399 4.720 4.320 0.000 0.000 0.255 2 K C 1.327 177.940 176.600 0.022 0.000 1.395 2 K CA 0.586 56.884 56.287 0.018 0.000 1.139 2 K CB -1.081 31.432 32.500 0.021 0.000 2.091 2 K HN 0.344 nan 8.250 nan 0.000 0.408 3 G N 1.351 110.168 108.800 0.028 0.000 2.750 3 G HA2 -0.050 3.910 3.960 0.000 0.000 0.250 3 G HA3 -0.050 3.910 3.960 0.000 0.000 0.250 3 G C 0.308 175.240 174.900 0.053 0.000 1.230 3 G CA 0.156 45.269 45.100 0.022 0.000 0.883 3 G HN 0.403 nan 8.290 nan 0.000 0.573 4 E N -0.508 119.721 120.200 0.048 0.000 2.714 4 E HA 0.072 4.422 4.350 0.000 0.000 0.219 4 E C -0.417 176.271 176.600 0.146 0.000 0.979 4 E CA -1.039 55.406 56.400 0.075 0.000 1.092 4 E CB 0.072 29.793 29.700 0.034 0.000 1.049 4 E HN 0.334 nan 8.360 nan 0.000 0.487 5 F N 1.161 121.086 119.950 -0.043 0.000 2.038 5 F HA -0.246 4.281 4.527 0.000 0.000 0.355 5 F C -0.762 174.994 175.800 -0.073 0.000 1.120 5 F CA 0.319 58.280 58.000 -0.065 0.000 1.182 5 F CB 0.104 39.054 39.000 -0.083 0.000 1.830 5 F HN 0.071 nan 8.300 nan 0.000 0.738 6 I N 6.900 127.333 120.570 -0.228 0.000 2.339 6 I HA 0.225 4.395 4.170 0.000 0.000 0.290 6 I C 1.027 177.131 176.117 -0.022 0.000 0.994 6 I CA -0.519 60.742 61.300 -0.065 0.000 1.191 6 I CB 1.462 39.404 38.000 -0.096 0.000 1.343 6 I HN 0.463 nan 8.210 nan 0.000 0.458 7 R N 3.186 123.729 120.500 0.072 0.000 4.806 7 R HA -0.037 4.303 4.340 0.000 0.000 0.194 7 R C 1.528 177.840 176.300 0.020 0.000 2.211 7 R CA 0.255 56.394 56.100 0.065 0.000 1.801 7 R CB -0.521 29.815 30.300 0.060 0.000 1.251 7 R HN 0.773 nan 8.270 nan 0.000 0.747 8 T N -2.222 112.323 114.554 -0.016 0.000 2.881 8 T HA -0.130 4.220 4.350 0.000 0.000 0.270 8 T C 0.724 175.428 174.700 0.007 0.000 1.068 8 T CA 0.965 63.058 62.100 -0.013 0.000 1.131 8 T CB 0.172 69.021 68.868 -0.033 0.000 0.871 8 T HN 0.207 nan 8.240 nan 0.000 0.479 9 K N 0.890 121.303 120.400 0.022 0.000 2.409 9 K HA 0.579 4.899 4.320 0.000 0.000 0.252 9 K C -3.191 173.444 176.600 0.058 0.000 1.036 9 K CA -2.455 53.852 56.287 0.034 0.000 0.871 9 K CB 0.974 33.494 32.500 0.034 0.000 1.374 9 K HN -0.075 nan 8.250 nan 0.000 0.459 10 P HA 0.111 nan 4.420 nan 0.000 0.274 10 P C -1.228 176.128 177.300 0.094 0.000 1.237 10 P CA -0.072 63.062 63.100 0.056 0.000 0.793 10 P CB 0.384 32.094 31.700 0.016 0.000 0.977 11 H N 0.478 119.569 119.070 0.035 0.000 2.495 11 H HA 0.669 5.225 4.556 0.000 0.000 0.348 11 H C -1.396 173.958 175.328 0.043 0.000 1.113 11 H CA -0.703 55.403 56.048 0.096 0.000 1.195 11 H CB 0.872 30.759 29.762 0.207 0.000 1.521 11 H HN 0.042 nan 8.280 nan 0.000 0.509 12 V N 4.817 124.348 119.914 -0.638 0.000 2.841 12 V HA 0.268 4.388 4.120 0.000 0.000 0.310 12 V C -0.857 175.040 176.094 -0.327 0.000 1.090 12 V CA -1.120 60.974 62.300 -0.342 0.000 0.930 12 V CB 2.236 34.034 31.823 -0.042 0.000 1.014 12 V HN 0.901 nan 8.190 nan 0.000 0.425 13 N N 3.387 122.029 118.700 -0.096 0.000 2.444 13 N HA 0.610 5.350 4.740 0.000 0.000 0.262 13 N C -0.634 174.881 175.510 0.009 0.000 0.974 13 N CA -0.126 52.917 53.050 -0.013 0.000 0.933 13 N CB 2.312 40.837 38.487 0.062 0.000 1.137 13 N HN 0.579 nan 8.380 nan 0.000 0.498 14 V N -1.281 118.615 119.914 -0.030 0.000 3.160 14 V HA 1.047 5.167 4.120 0.000 0.000 0.310 14 V C 0.215 176.137 176.094 -0.287 0.000 1.181 14 V CA -0.812 61.438 62.300 -0.084 0.000 1.047 14 V CB 1.775 33.570 31.823 -0.047 0.000 1.068 14 V HN 0.681 nan 8.190 nan 0.000 0.441 15 G N 0.001 108.593 108.800 -0.347 0.000 2.495 15 G HA2 0.651 4.611 3.960 0.000 0.000 0.294 15 G HA3 0.651 4.611 3.960 0.000 0.000 0.294 15 G C -0.795 173.914 174.900 -0.318 0.000 1.397 15 G CA 0.020 44.723 45.100 -0.660 0.000 0.790 15 G HN 1.430 nan 8.290 nan 0.000 0.486 16 T N -0.909 113.485 114.554 -0.266 0.000 2.795 16 T HA 0.716 5.066 4.350 0.000 0.000 0.282 16 T C 0.158 174.848 174.700 -0.015 0.000 0.980 16 T CA -0.351 61.735 62.100 -0.024 0.000 1.012 16 T CB 1.112 70.042 68.868 0.104 0.000 0.936 16 T HN 1.342 nan 8.240 nan 0.000 0.457 17 I N -1.497 119.103 120.570 0.048 0.000 3.195 17 I HA 0.929 5.099 4.170 0.000 0.000 0.313 17 I C -0.167 176.089 176.117 0.233 0.000 1.237 17 I CA -1.020 60.350 61.300 0.118 0.000 0.963 17 I CB 1.962 39.971 38.000 0.016 0.000 1.278 17 I HN 1.150 nan 8.210 nan 0.000 0.460 18 G N 0.874 109.946 108.800 0.453 0.000 2.357 18 G HA2 0.034 3.994 3.960 0.000 0.000 0.643 18 G HA3 0.034 3.994 3.960 0.000 0.000 0.643 18 G C -0.971 173.854 174.900 -0.125 0.000 1.358 18 G CA -0.686 44.486 45.100 0.120 0.000 0.986 18 G HN 1.171 nan 8.290 nan 0.000 0.620 19 H N -0.857 117.957 119.070 -0.427 0.000 3.169 19 H HA 0.065 4.621 4.556 0.000 0.000 0.331 19 H C 1.113 176.185 175.328 -0.428 0.000 1.054 19 H CA 1.509 57.204 56.048 -0.589 0.000 1.321 19 H CB 0.879 30.140 29.762 -0.835 0.000 1.223 19 H HN 0.965 nan 8.280 nan 0.000 0.601 20 V N 3.559 123.090 119.914 -0.638 0.000 2.763 20 V HA -0.091 4.029 4.120 0.000 0.000 0.306 20 V C 0.906 176.967 176.094 -0.056 0.000 1.059 20 V CA 1.120 63.249 62.300 -0.285 0.000 1.138 20 V CB 0.406 32.005 31.823 -0.372 0.000 0.940 20 V HN 1.156 nan 8.190 nan 0.000 0.489 21 D N 2.184 122.618 120.400 0.055 0.000 2.705 21 D HA -0.257 4.383 4.640 0.000 0.000 0.187 21 D C 1.027 177.482 176.300 0.258 0.000 1.015 21 D CA 2.049 56.142 54.000 0.154 0.000 1.030 21 D CB -1.596 39.284 40.800 0.134 0.000 1.100 21 D HN 0.983 nan 8.370 nan 0.000 0.439 22 H N -0.671 118.456 119.070 0.094 0.000 2.561 22 H HA 0.095 4.651 4.556 0.000 0.000 0.289 22 H C 1.783 177.169 175.328 0.098 0.000 1.054 22 H CA 0.771 56.871 56.048 0.088 0.000 1.210 22 H CB -0.060 29.758 29.762 0.095 0.000 1.353 22 H HN 0.433 nan 8.280 nan 0.000 0.601 23 G N 0.650 109.583 108.800 0.223 0.000 2.134 23 G HA2 -0.261 3.699 3.960 0.000 0.000 0.209 23 G HA3 -0.261 3.699 3.960 0.000 0.000 0.209 23 G C 0.974 175.979 174.900 0.174 0.000 0.993 23 G CA 0.287 45.498 45.100 0.185 0.000 0.669 23 G HN 0.340 nan 8.290 nan 0.000 0.519 24 K N -0.283 120.217 120.400 0.167 0.000 2.059 24 K HA -0.135 4.185 4.320 0.000 0.000 0.212 24 K C 2.578 179.236 176.600 0.098 0.000 1.050 24 K CA 2.173 58.539 56.287 0.131 0.000 0.927 24 K CB -0.314 32.258 32.500 0.120 0.000 0.714 24 K HN 0.401 nan 8.250 nan 0.000 0.447 25 T N 0.239 114.841 114.554 0.079 0.000 2.867 25 T HA -0.097 4.253 4.350 0.000 0.000 0.268 25 T C 1.909 176.649 174.700 0.068 0.000 1.057 25 T CA 1.498 63.594 62.100 -0.007 0.000 1.136 25 T CB -0.261 68.476 68.868 -0.219 0.000 0.874 25 T HN 0.256 nan 8.240 nan 0.000 0.466 26 T N 2.317 117.000 114.554 0.215 0.000 2.668 26 T HA -0.008 4.342 4.350 0.000 0.000 0.262 26 T C 1.882 176.622 174.700 0.067 0.000 1.045 26 T CA 0.850 63.092 62.100 0.237 0.000 1.152 26 T CB -0.536 68.448 68.868 0.192 0.000 0.864 26 T HN 0.124 nan 8.240 nan 0.000 0.419 27 L N 0.922 122.149 121.223 0.007 0.000 2.189 27 L HA -0.144 4.196 4.340 0.000 0.000 0.214 27 L C 2.430 179.197 176.870 -0.172 0.000 1.097 27 L CA 1.661 56.422 54.840 -0.131 0.000 0.764 27 L CB -0.875 41.078 42.059 -0.176 0.000 0.900 27 L HN 0.255 nan 8.230 nan 0.000 0.436 28 T N -0.729 113.774 114.554 -0.084 0.000 2.639 28 T HA -0.146 4.204 4.350 0.000 0.000 0.261 28 T C 1.879 176.502 174.700 -0.129 0.000 1.053 28 T CA 1.416 63.430 62.100 -0.142 0.000 1.158 28 T CB -0.488 68.375 68.868 -0.009 0.000 0.863 28 T HN 0.524 nan 8.240 nan 0.000 0.413 29 A N 1.418 124.240 122.820 0.004 0.000 1.940 29 A HA 0.062 4.382 4.320 0.000 0.000 0.219 29 A C 2.576 180.245 177.584 0.141 0.000 1.176 29 A CA 2.033 54.144 52.037 0.122 0.000 0.631 29 A CB -1.131 18.009 19.000 0.234 0.000 0.814 29 A HN 0.523 nan 8.150 nan 0.000 0.446 30 A N -0.059 122.756 122.820 -0.009 0.000 1.851 30 A HA -0.139 4.181 4.320 0.000 0.000 0.216 30 A C 2.157 179.619 177.584 -0.203 0.000 1.195 30 A CA 1.649 53.627 52.037 -0.097 0.000 0.622 30 A CB -0.836 18.064 19.000 -0.167 0.000 0.831 30 A HN 0.485 nan 8.150 nan 0.000 0.444 31 L N -0.006 120.997 121.223 -0.367 0.000 2.081 31 L HA -0.254 4.087 4.340 0.000 0.000 0.212 31 L C 3.071 179.568 176.870 -0.622 0.000 1.080 31 L CA 2.053 56.513 54.840 -0.634 0.000 0.754 31 L CB -0.926 40.614 42.059 -0.865 0.000 0.893 31 L HN 0.756 nan 8.230 nan 0.000 0.433 32 T N -3.357 110.960 114.554 -0.395 0.000 2.708 32 T HA -0.260 4.090 4.350 0.000 0.000 0.266 32 T C 1.752 176.215 174.700 -0.395 0.000 1.037 32 T CA 1.330 63.222 62.100 -0.347 0.000 1.146 32 T CB -0.789 67.903 68.868 -0.293 0.000 0.865 32 T HN 0.220 nan 8.240 nan 0.000 0.435 33 Y N 1.508 121.695 120.300 -0.189 0.000 2.128 33 Y HA -0.061 4.489 4.550 0.000 0.000 0.284 33 Y C 2.963 178.778 175.900 -0.140 0.000 1.154 33 Y CA 1.165 59.180 58.100 -0.141 0.000 1.149 33 Y CB -0.830 37.532 38.460 -0.162 0.000 0.976 33 Y HN 0.061 nan 8.280 nan 0.000 0.505 34 V N -0.526 119.314 119.914 -0.124 0.000 2.407 34 V HA -0.323 3.797 4.120 0.000 0.000 0.248 34 V C 2.367 178.351 176.094 -0.184 0.000 1.055 34 V CA 1.736 63.897 62.300 -0.232 0.000 1.049 34 V CB -1.242 30.183 31.823 -0.663 0.000 0.662 34 V HN 0.480 nan 8.190 nan 0.000 0.455 35 A N -0.255 122.394 122.820 -0.285 0.000 1.930 35 A HA 0.090 4.410 4.320 0.000 0.000 0.215 35 A C 2.404 180.021 177.584 0.055 0.000 1.176 35 A CA 1.487 53.473 52.037 -0.086 0.000 0.632 35 A CB -0.632 18.270 19.000 -0.163 0.000 0.819 35 A HN 0.521 nan 8.150 nan 0.000 0.445 36 A N 0.173 122.975 122.820 -0.029 0.000 1.933 36 A HA 0.136 4.456 4.320 0.000 0.000 0.218 36 A C 2.464 180.082 177.584 0.057 0.000 1.175 36 A CA 2.040 54.074 52.037 -0.006 0.000 0.628 36 A CB -0.967 17.979 19.000 -0.090 0.000 0.814 36 A HN 0.998 nan 8.150 nan 0.000 0.444 37 A N 0.139 123.017 122.820 0.098 0.000 1.865 37 A HA -0.200 4.120 4.320 0.000 0.000 0.217 37 A C 1.783 179.453 177.584 0.143 0.000 1.191 37 A CA 1.635 53.753 52.037 0.134 0.000 0.623 37 A CB -0.512 18.599 19.000 0.185 0.000 0.826 37 A HN 0.631 nan 8.150 nan 0.000 0.444 38 E N -0.029 120.303 120.200 0.221 0.000 2.465 38 E HA 0.065 4.415 4.350 0.000 0.000 0.191 38 E C -0.797 175.880 176.600 0.127 0.000 1.053 38 E CA -0.029 56.468 56.400 0.162 0.000 0.869 38 E CB -0.070 29.708 29.700 0.129 0.000 0.977 38 E HN 0.610 nan 8.360 nan 0.000 0.483 39 N N 1.398 120.170 118.700 0.120 0.000 2.793 39 N HA 0.059 4.799 4.740 0.000 0.000 0.251 39 N C -2.442 173.103 175.510 0.057 0.000 1.308 39 N CA -0.979 52.124 53.050 0.088 0.000 0.781 39 N CB 1.807 40.362 38.487 0.113 0.000 1.439 39 N HN -0.158 nan 8.380 nan 0.000 0.562 40 P HA -0.297 nan 4.420 nan 0.000 0.215 40 P C 0.664 177.971 177.300 0.012 0.000 0.896 40 P CA 1.881 64.995 63.100 0.024 0.000 1.030 40 P CB -0.206 31.503 31.700 0.015 0.000 0.731 41 N N -0.290 118.413 118.700 0.005 0.000 2.601 41 N HA -0.006 4.734 4.740 0.000 0.000 0.201 41 N C -0.285 175.222 175.510 -0.004 0.000 1.355 41 N CA 0.081 53.127 53.050 -0.006 0.000 0.880 41 N CB -1.177 37.298 38.487 -0.020 0.000 1.071 41 N HN 0.081 nan 8.380 nan 0.000 0.454 42 V N 1.038 120.952 119.914 0.001 0.000 2.334 42 V HA 0.074 4.194 4.120 0.000 0.000 0.267 42 V C 0.421 176.489 176.094 -0.044 0.000 1.040 42 V CA -0.857 61.443 62.300 0.001 0.000 0.866 42 V CB 0.646 32.477 31.823 0.014 0.000 1.019 42 V HN 0.339 nan 8.190 nan 0.000 0.468 43 E N 5.223 125.396 120.200 -0.045 0.000 2.166 43 E HA 0.254 4.604 4.350 0.000 0.000 0.279 43 E C 0.007 176.525 176.600 -0.137 0.000 1.095 43 E CA -0.563 55.797 56.400 -0.067 0.000 0.888 43 E CB 1.231 30.913 29.700 -0.030 0.000 1.041 43 E HN 0.652 nan 8.360 nan 0.000 0.414 44 V N 2.772 122.530 119.914 -0.261 0.000 2.963 44 V HA 0.302 4.422 4.120 0.000 0.000 0.306 44 V C -0.297 175.616 176.094 -0.301 0.000 1.077 44 V CA -0.252 61.718 62.300 -0.551 0.000 1.124 44 V CB 1.018 32.001 31.823 -1.399 0.000 0.987 44 V HN 0.533 nan 8.190 nan 0.000 0.487 45 K N 2.184 122.430 120.400 -0.256 0.000 2.482 45 K HA 0.491 4.811 4.320 0.000 0.000 0.251 45 K C -1.008 175.759 176.600 0.279 0.000 0.936 45 K CA -0.510 55.800 56.287 0.038 0.000 0.791 45 K CB 2.092 34.610 32.500 0.031 0.000 1.213 45 K HN 0.871 nan 8.250 nan 0.000 0.428 46 D N 0.441 121.038 120.400 0.329 0.000 2.423 46 D HA 0.093 4.733 4.640 0.000 0.000 0.255 46 D C 1.060 177.524 176.300 0.273 0.000 1.174 46 D CA -0.224 53.999 54.000 0.372 0.000 1.008 46 D CB 0.827 41.800 40.800 0.288 0.000 1.101 46 D HN 0.417 nan 8.370 nan 0.000 0.516 47 Y N 0.974 121.355 120.300 0.135 0.000 2.097 47 Y HA -0.153 4.397 4.550 0.000 0.000 0.282 47 Y C 2.252 178.198 175.900 0.078 0.000 1.152 47 Y CA 2.346 60.501 58.100 0.092 0.000 1.136 47 Y CB -0.429 38.075 38.460 0.073 0.000 0.975 47 Y HN 0.541 nan 8.280 nan 0.000 0.498 48 G N -0.846 108.120 108.800 0.276 0.000 2.535 48 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 48 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 48 G C 1.187 176.146 174.900 0.100 0.000 1.122 48 G CA 1.098 46.297 45.100 0.164 0.000 0.769 48 G HN 0.365 nan 8.290 nan 0.000 0.549 49 D N 0.719 121.182 120.400 0.104 0.000 2.107 49 D HA -0.042 4.598 4.640 0.000 0.000 0.204 49 D C 2.585 178.911 176.300 0.043 0.000 0.978 49 D CA 0.255 54.301 54.000 0.078 0.000 0.852 49 D CB -0.085 40.773 40.800 0.095 0.000 1.008 49 D HN 0.156 nan 8.370 nan 0.000 0.458 50 I N 1.773 122.351 120.570 0.014 0.000 2.222 50 I HA -0.265 3.905 4.170 0.000 0.000 0.178 50 I C 1.962 178.041 176.117 -0.063 0.000 1.004 50 I CA 1.320 62.597 61.300 -0.039 0.000 1.334 50 I CB -1.349 36.578 38.000 -0.122 0.000 1.097 50 I HN -0.038 nan 8.210 nan 0.000 0.406 51 D N 1.075 121.377 120.400 -0.164 0.000 2.303 51 D HA -0.295 4.345 4.640 0.000 0.000 0.190 51 D C 1.768 178.055 176.300 -0.022 0.000 1.011 51 D CA 2.638 56.568 54.000 -0.117 0.000 0.860 51 D CB -0.525 40.164 40.800 -0.185 0.000 0.961 51 D HN 0.613 nan 8.370 nan 0.000 0.453 52 K N -1.066 119.341 120.400 0.012 0.000 2.827 52 K HA -0.292 4.028 4.320 0.000 0.000 0.265 52 K C -0.071 176.549 176.600 0.034 0.000 0.996 52 K CA 1.603 57.912 56.287 0.037 0.000 0.795 52 K CB -1.387 31.135 32.500 0.037 0.000 1.237 52 K HN 0.216 nan 8.250 nan 0.000 0.440 53 A N 0.850 123.685 122.820 0.025 0.000 2.309 53 A HA 0.472 4.792 4.320 0.000 0.000 0.298 53 A C -1.376 176.225 177.584 0.028 0.000 1.165 53 A CA -1.695 50.355 52.037 0.022 0.000 0.821 53 A CB 0.835 19.840 19.000 0.007 0.000 1.102 53 A HN 0.056 nan 8.150 nan 0.000 0.500 54 P HA -0.263 nan 4.420 nan 0.000 0.219 54 P C 0.858 178.179 177.300 0.035 0.000 1.158 54 P CA 1.991 65.110 63.100 0.032 0.000 0.895 54 P CB 0.211 31.926 31.700 0.025 0.000 0.792 55 E N -0.034 120.182 120.200 0.027 0.000 1.997 55 E HA -0.211 4.139 4.350 0.000 0.000 0.201 55 E C 2.040 178.672 176.600 0.053 0.000 1.011 55 E CA 1.447 57.867 56.400 0.034 0.000 0.847 55 E CB -1.031 28.677 29.700 0.013 0.000 0.787 55 E HN 0.328 nan 8.360 nan 0.000 0.472 56 E N 0.436 120.665 120.200 0.048 0.000 2.197 56 E HA -0.304 4.046 4.350 0.000 0.000 0.205 56 E C 2.117 178.772 176.600 0.092 0.000 1.029 56 E CA 1.431 57.873 56.400 0.069 0.000 0.828 56 E CB -0.126 29.596 29.700 0.037 0.000 0.737 56 E HN 0.153 nan 8.360 nan 0.000 0.464 57 R N -0.055 120.494 120.500 0.081 0.000 2.070 57 R HA -0.123 4.217 4.340 0.000 0.000 0.233 57 R C 2.433 178.787 176.300 0.090 0.000 1.137 57 R CA 1.263 57.421 56.100 0.096 0.000 0.945 57 R CB -0.395 29.951 30.300 0.076 0.000 0.845 57 R HN 0.154 nan 8.270 nan 0.000 0.430 58 A N 1.499 124.362 122.820 0.071 0.000 1.841 58 A HA -0.142 4.179 4.320 0.000 0.000 0.214 58 A C 2.136 179.763 177.584 0.071 0.000 1.195 58 A CA 1.122 53.197 52.037 0.062 0.000 0.611 58 A CB -0.429 18.602 19.000 0.051 0.000 0.835 58 A HN 0.204 nan 8.150 nan 0.000 0.443 59 R N -1.090 119.459 120.500 0.081 0.000 2.127 59 R HA -0.055 4.285 4.340 0.000 0.000 0.238 59 R C 1.273 177.636 176.300 0.106 0.000 1.134 59 R CA 0.825 56.980 56.100 0.093 0.000 0.975 59 R CB -0.732 29.634 30.300 0.111 0.000 0.865 59 R HN 0.939 nan 8.270 nan 0.000 0.447 60 G N 2.133 111.006 108.800 0.122 0.000 2.289 60 G HA2 -0.239 3.721 3.960 0.000 0.000 0.280 60 G HA3 -0.239 3.721 3.960 0.000 0.000 0.280 60 G C -0.013 174.991 174.900 0.175 0.000 1.089 60 G CA 0.585 45.779 45.100 0.157 0.000 0.939 60 G HN 0.525 nan 8.290 nan 0.000 0.499 61 I N -4.152 116.515 120.570 0.162 0.000 2.918 61 I HA 0.748 4.918 4.170 0.000 0.000 0.301 61 I C -0.130 176.066 176.117 0.132 0.000 1.312 61 I CA -1.244 60.154 61.300 0.162 0.000 1.007 61 I CB 1.795 39.910 38.000 0.190 0.000 1.281 61 I HN -0.040 nan 8.210 nan 0.000 0.440 62 T N 4.792 119.414 114.554 0.114 0.000 2.794 62 T HA 0.398 4.748 4.350 0.000 0.000 0.296 62 T C 1.003 175.777 174.700 0.125 0.000 0.949 62 T CA -0.014 62.126 62.100 0.066 0.000 1.101 62 T CB 0.843 69.733 68.868 0.036 0.000 0.905 62 T HN 0.656 nan 8.240 nan 0.000 0.516 63 I N 1.998 122.585 120.570 0.029 0.000 3.300 63 I HA 0.366 4.536 4.170 0.000 0.000 0.279 63 I C 0.112 176.110 176.117 -0.200 0.000 1.172 63 I CA -0.169 61.039 61.300 -0.152 0.000 1.431 63 I CB 0.405 38.178 38.000 -0.378 0.000 1.240 63 I HN 0.325 nan 8.210 nan 0.000 0.453 64 N N 2.253 120.885 118.700 -0.113 0.000 2.443 64 N HA 0.324 5.064 4.740 0.000 0.000 0.295 64 N C -0.307 175.179 175.510 -0.039 0.000 1.076 64 N CA -0.328 52.676 53.050 -0.076 0.000 0.919 64 N CB 1.446 39.908 38.487 -0.042 0.000 1.176 64 N HN 0.299 nan 8.380 nan 0.000 0.487 65 T N -0.863 113.668 114.554 -0.039 0.000 2.856 65 T HA 0.579 4.929 4.350 0.000 0.000 0.306 65 T C -0.010 174.660 174.700 -0.050 0.000 1.062 65 T CA -0.774 61.284 62.100 -0.070 0.000 1.083 65 T CB 0.837 69.633 68.868 -0.120 0.000 0.984 65 T HN 0.508 nan 8.240 nan 0.000 0.542 66 A N 1.522 124.286 122.820 -0.092 0.000 2.498 66 A HA 0.627 4.947 4.320 0.000 0.000 0.298 66 A C -0.716 176.809 177.584 -0.099 0.000 1.075 66 A CA -0.957 51.073 52.037 -0.011 0.000 0.714 66 A CB 1.193 20.218 19.000 0.041 0.000 1.299 66 A HN 0.989 nan 8.150 nan 0.000 0.407 67 H N 0.886 120.019 119.070 0.105 0.000 2.476 67 H HA 0.529 5.085 4.556 0.000 0.000 0.328 67 H C -0.412 175.041 175.328 0.208 0.000 1.073 67 H CA -0.241 55.899 56.048 0.154 0.000 1.229 67 H CB 1.669 31.513 29.762 0.135 0.000 1.432 67 H HN 0.707 nan 8.280 nan 0.000 0.477 68 V N 0.871 120.971 119.914 0.310 0.000 3.001 68 V HA 0.554 4.674 4.120 0.000 0.000 0.314 68 V C -0.417 175.690 176.094 0.020 0.000 1.099 68 V CA -0.888 61.523 62.300 0.184 0.000 0.989 68 V CB 2.799 34.709 31.823 0.143 0.000 1.040 68 V HN 0.795 nan 8.190 nan 0.000 0.434 69 E N 1.935 122.029 120.200 -0.176 0.000 2.238 69 E HA 0.720 5.070 4.350 0.000 0.000 0.267 69 E C -2.018 174.478 176.600 -0.173 0.000 0.887 69 E CA -0.661 55.485 56.400 -0.422 0.000 0.769 69 E CB 2.361 31.659 29.700 -0.671 0.000 1.187 69 E HN 0.996 nan 8.360 nan 0.000 0.416 70 Y N 0.153 120.371 120.300 -0.137 0.000 2.687 70 Y HA 0.397 4.947 4.550 0.000 0.000 0.338 70 Y C -1.705 174.204 175.900 0.015 0.000 1.189 70 Y CA -1.203 56.857 58.100 -0.066 0.000 1.097 70 Y CB 0.455 38.857 38.460 -0.097 0.000 1.342 70 Y HN 0.534 nan 8.280 nan 0.000 0.461 71 E N 0.314 120.739 120.200 0.374 0.000 2.429 71 E HA 0.741 5.091 4.350 0.000 0.000 0.276 71 E C -1.290 175.507 176.600 0.328 0.000 0.953 71 E CA -1.114 55.477 56.400 0.319 0.000 0.787 71 E CB 2.870 32.664 29.700 0.157 0.000 1.307 71 E HN 0.841 nan 8.360 nan 0.000 0.458 72 T N -2.854 111.887 114.554 0.312 0.000 2.841 72 T HA 0.636 4.986 4.350 0.000 0.000 0.276 72 T C 1.018 175.828 174.700 0.184 0.000 1.003 72 T CA -0.256 62.029 62.100 0.309 0.000 0.995 72 T CB 1.276 70.381 68.868 0.394 0.000 1.260 72 T HN 0.581 nan 8.240 nan 0.000 0.581 73 A N 0.468 123.378 122.820 0.151 0.000 1.897 73 A HA 0.025 4.346 4.320 0.000 0.000 0.215 73 A C 2.177 179.802 177.584 0.069 0.000 1.181 73 A CA 1.126 53.214 52.037 0.085 0.000 0.620 73 A CB -0.807 18.225 19.000 0.052 0.000 0.821 73 A HN 0.856 nan 8.150 nan 0.000 0.443 74 K N -0.868 119.583 120.400 0.086 0.000 2.155 74 K HA 0.035 4.355 4.320 0.000 0.000 0.203 74 K C 0.325 176.934 176.600 0.015 0.000 1.052 74 K CA 0.727 57.050 56.287 0.060 0.000 0.948 74 K CB 0.041 32.590 32.500 0.081 0.000 0.728 74 K HN 0.397 nan 8.250 nan 0.000 0.448 75 R N -0.505 119.981 120.500 -0.023 0.000 2.764 75 R HA 0.246 4.586 4.340 0.000 0.000 0.270 75 R C -1.099 175.006 176.300 -0.325 0.000 1.014 75 R CA -0.838 55.128 56.100 -0.223 0.000 0.904 75 R CB 1.396 31.381 30.300 -0.525 0.000 1.236 75 R HN 0.068 nan 8.270 nan 0.000 0.466 76 H N 1.563 120.389 119.070 -0.407 0.000 2.488 76 H HA 0.306 4.862 4.556 0.000 0.000 0.322 76 H C -1.259 173.775 175.328 -0.491 0.000 1.078 76 H CA -0.229 55.674 56.048 -0.242 0.000 1.260 76 H CB 0.678 30.481 29.762 0.068 0.000 1.425 76 H HN 0.458 nan 8.280 nan 0.000 0.471 77 Y N 2.061 121.934 120.300 -0.713 0.000 2.393 77 Y HA 0.218 4.769 4.550 0.000 0.000 0.341 77 Y C 0.185 175.584 175.900 -0.836 0.000 0.988 77 Y CA -0.683 56.969 58.100 -0.747 0.000 1.078 77 Y CB 2.220 40.273 38.460 -0.678 0.000 1.203 77 Y HN 0.471 nan 8.280 nan 0.000 0.453 78 S N 1.978 117.505 115.700 -0.288 0.000 2.433 78 S HA 0.310 4.780 4.470 0.000 0.000 0.310 78 S C -1.490 173.110 174.600 -0.000 0.000 1.097 78 S CA -0.518 57.727 58.200 0.075 0.000 1.103 78 S CB 0.039 63.469 63.200 0.383 0.000 0.992 78 S HN 0.684 nan 8.310 nan 0.000 0.469 79 H N 2.359 121.372 119.070 -0.096 0.000 2.658 79 H HA 0.594 5.150 4.556 0.000 0.000 0.337 79 H C -1.182 174.121 175.328 -0.041 0.000 1.009 79 H CA -0.592 55.394 56.048 -0.103 0.000 1.231 79 H CB 0.741 30.393 29.762 -0.183 0.000 1.508 79 H HN 0.363 nan 8.280 nan 0.000 0.517 80 V N 4.380 124.093 119.914 -0.334 0.000 2.370 80 V HA 0.151 4.271 4.120 0.000 0.000 0.283 80 V C -0.018 175.888 176.094 -0.312 0.000 1.023 80 V CA -0.872 61.228 62.300 -0.335 0.000 0.857 80 V CB 1.171 32.735 31.823 -0.433 0.000 0.985 80 V HN 0.808 nan 8.190 nan 0.000 0.443 81 D N 3.861 124.185 120.400 -0.126 0.000 2.347 81 D HA 0.373 5.013 4.640 0.000 0.000 0.235 81 D C -0.103 176.153 176.300 -0.072 0.000 1.149 81 D CA -0.010 53.969 54.000 -0.035 0.000 0.850 81 D CB 0.745 41.581 40.800 0.060 0.000 1.061 81 D HN 0.647 nan 8.370 nan 0.000 0.487 82 C N 5.384 124.640 119.300 -0.073 0.000 2.362 82 C HA 0.629 5.089 4.460 0.000 0.000 0.363 82 C C -1.951 173.044 174.990 0.009 0.000 1.220 82 C CA -1.366 57.617 59.018 -0.059 0.000 2.379 82 C CB 1.121 28.792 27.740 -0.115 0.000 2.351 82 C HN 0.579 nan 8.230 nan 0.000 0.582 83 P HA 0.266 nan 4.420 nan 0.000 0.288 83 P C 0.026 177.422 177.300 0.160 0.000 1.267 83 P CA 0.196 63.366 63.100 0.117 0.000 0.815 83 P CB 1.071 32.878 31.700 0.178 0.000 0.989 84 G N 0.443 109.321 108.800 0.130 0.000 3.020 84 G HA2 -0.020 3.940 3.960 0.000 0.000 0.217 84 G HA3 -0.020 3.940 3.960 0.000 0.000 0.217 84 G C 0.354 175.197 174.900 -0.095 0.000 1.144 84 G CA 0.217 45.343 45.100 0.043 0.000 0.760 84 G HN 0.604 nan 8.290 nan 0.000 0.548 85 H N 0.421 119.434 119.070 -0.096 0.000 2.803 85 H HA 0.435 4.991 4.556 0.000 0.000 0.330 85 H C 1.631 176.846 175.328 -0.189 0.000 1.057 85 H CA -0.006 55.925 56.048 -0.195 0.000 1.458 85 H CB 1.618 31.227 29.762 -0.255 0.000 1.470 85 H HN 0.024 nan 8.280 nan 0.000 0.560 86 A N 3.670 126.541 122.820 0.086 0.000 2.178 86 A HA -0.164 4.156 4.320 0.000 0.000 0.218 86 A C 1.715 179.336 177.584 0.062 0.000 1.157 86 A CA 1.517 53.594 52.037 0.066 0.000 0.689 86 A CB -0.143 18.844 19.000 -0.022 0.000 0.787 86 A HN 0.835 nan 8.150 nan 0.000 0.465 87 D N -1.386 118.990 120.400 -0.041 0.000 2.224 87 D HA -0.060 4.580 4.640 0.000 0.000 0.205 87 D C 0.546 176.827 176.300 -0.031 0.000 0.965 87 D CA 1.019 54.831 54.000 -0.313 0.000 0.852 87 D CB -0.173 40.083 40.800 -0.905 0.000 0.947 87 D HN 0.579 nan 8.370 nan 0.000 0.494 88 Y N 0.315 120.600 120.300 -0.025 0.000 2.493 88 Y HA 0.251 4.801 4.550 0.000 0.000 0.275 88 Y C 1.865 177.770 175.900 0.010 0.000 1.183 88 Y CA -1.205 56.888 58.100 -0.013 0.000 1.258 88 Y CB -0.539 37.907 38.460 -0.024 0.000 1.108 88 Y HN -0.047 nan 8.280 nan 0.000 0.521 89 I N 0.031 120.691 120.570 0.150 0.000 2.381 89 I HA -0.379 3.791 4.170 0.000 0.000 0.255 89 I C 2.169 178.305 176.117 0.032 0.000 1.140 89 I CA 1.493 62.835 61.300 0.071 0.000 1.404 89 I CB -0.164 37.850 38.000 0.025 0.000 1.075 89 I HN 0.298 nan 8.210 nan 0.000 0.433 90 K N 0.847 121.299 120.400 0.088 0.000 1.969 90 K HA -0.229 4.091 4.320 0.000 0.000 0.216 90 K C 1.730 178.369 176.600 0.065 0.000 1.048 90 K CA 2.151 58.508 56.287 0.116 0.000 0.948 90 K CB -0.248 32.338 32.500 0.143 0.000 0.726 90 K HN 0.318 nan 8.250 nan 0.000 0.442 91 N N 1.155 119.882 118.700 0.045 0.000 2.096 91 N HA -0.259 4.481 4.740 0.000 0.000 0.195 91 N C 1.582 177.077 175.510 -0.025 0.000 1.017 91 N CA 1.624 54.679 53.050 0.007 0.000 0.870 91 N CB -0.447 38.034 38.487 -0.010 0.000 1.024 91 N HN 0.251 nan 8.380 nan 0.000 0.434 92 M N 0.621 120.196 119.600 -0.042 0.000 2.065 92 M HA -0.129 4.351 4.480 0.000 0.000 0.259 92 M C 1.789 178.007 176.300 -0.136 0.000 1.069 92 M CA 1.620 56.838 55.300 -0.136 0.000 1.110 92 M CB -0.455 31.999 32.600 -0.244 0.000 1.328 92 M HN 0.111 nan 8.290 nan 0.000 0.405 93 I N 0.188 120.703 120.570 -0.093 0.000 2.208 93 I HA -0.295 3.875 4.170 0.000 0.000 0.245 93 I C 2.239 178.354 176.117 -0.004 0.000 1.097 93 I CA 1.807 63.073 61.300 -0.057 0.000 1.363 93 I CB -0.762 37.226 38.000 -0.019 0.000 1.051 93 I HN 0.349 nan 8.210 nan 0.000 0.413 94 T N 0.287 114.851 114.554 0.016 0.000 2.674 94 T HA -0.131 4.219 4.350 0.000 0.000 0.265 94 T C 2.068 176.769 174.700 0.002 0.000 1.039 94 T CA 1.442 63.559 62.100 0.028 0.000 1.150 94 T CB -1.151 67.738 68.868 0.036 0.000 0.864 94 T HN 0.536 nan 8.240 nan 0.000 0.427 95 G N 1.614 110.390 108.800 -0.041 0.000 2.514 95 G HA2 -0.143 3.817 3.960 0.000 0.000 0.217 95 G HA3 -0.143 3.817 3.960 0.000 0.000 0.217 95 G C 1.898 176.756 174.900 -0.070 0.000 1.198 95 G CA 1.120 46.170 45.100 -0.082 0.000 0.780 95 G HN 0.627 nan 8.290 nan 0.000 0.565 96 A N 0.962 123.732 122.820 -0.085 0.000 2.032 96 A HA 0.194 4.514 4.320 0.000 0.000 0.221 96 A C 2.709 180.282 177.584 -0.019 0.000 1.165 96 A CA 2.259 54.253 52.037 -0.071 0.000 0.645 96 A CB -0.621 18.319 19.000 -0.099 0.000 0.807 96 A HN 0.963 nan 8.150 nan 0.000 0.453 97 A N -0.775 122.047 122.820 0.003 0.000 2.121 97 A HA -0.086 4.234 4.320 0.000 0.000 0.218 97 A C 1.807 179.414 177.584 0.039 0.000 1.154 97 A CA 1.189 53.246 52.037 0.034 0.000 0.679 97 A CB -0.321 18.711 19.000 0.053 0.000 0.795 97 A HN 0.701 nan 8.150 nan 0.000 0.458 98 Q N -0.641 119.180 119.800 0.035 0.000 2.246 98 Q HA 0.295 4.635 4.340 0.000 0.000 0.202 98 Q C -0.341 175.687 176.000 0.046 0.000 0.883 98 Q CA -0.121 55.715 55.803 0.054 0.000 0.952 98 Q CB 0.122 28.912 28.738 0.086 0.000 1.078 98 Q HN 0.647 nan 8.270 nan 0.000 0.493 99 M N 0.619 120.235 119.600 0.026 0.000 2.318 99 M HA 0.198 4.678 4.480 0.000 0.000 0.347 99 M C 0.088 176.422 176.300 0.055 0.000 1.175 99 M CA -0.238 55.075 55.300 0.022 0.000 1.075 99 M CB 1.169 33.761 32.600 -0.014 0.000 1.614 99 M HN -0.066 nan 8.290 nan 0.000 0.456 100 D N 1.452 121.889 120.400 0.061 0.000 2.301 100 D HA 0.180 4.820 4.640 0.000 0.000 0.206 100 D C 0.614 176.986 176.300 0.120 0.000 0.979 100 D CA 0.641 54.694 54.000 0.089 0.000 0.874 100 D CB 0.843 41.684 40.800 0.068 0.000 0.968 100 D HN 0.825 nan 8.370 nan 0.000 0.510 101 G N -0.151 108.699 108.800 0.084 0.000 2.759 101 G HA2 0.556 4.516 3.960 0.000 0.000 0.297 101 G HA3 0.556 4.516 3.960 0.000 0.000 0.297 101 G C -1.686 173.239 174.900 0.042 0.000 1.434 101 G CA -0.369 44.790 45.100 0.099 0.000 0.980 101 G HN 0.118 nan 8.290 nan 0.000 0.531 102 A N 1.501 124.346 122.820 0.041 0.000 2.331 102 A HA 0.765 5.085 4.320 0.000 0.000 0.320 102 A C -0.222 177.374 177.584 0.019 0.000 1.138 102 A CA -0.653 51.381 52.037 -0.004 0.000 0.790 102 A CB 0.811 19.790 19.000 -0.035 0.000 1.206 102 A HN 0.688 nan 8.150 nan 0.000 0.470 103 I N 3.212 123.792 120.570 0.018 0.000 2.278 103 I HA 0.084 4.254 4.170 0.000 0.000 0.296 103 I C -0.313 175.850 176.117 0.077 0.000 1.121 103 I CA -0.363 60.974 61.300 0.062 0.000 1.267 103 I CB 0.698 38.741 38.000 0.071 0.000 1.447 103 I HN 0.501 nan 8.210 nan 0.000 0.509 104 L N 9.246 130.521 121.223 0.087 0.000 2.385 104 L HA 0.225 4.565 4.340 0.000 0.000 0.285 104 L C -0.043 176.922 176.870 0.159 0.000 1.125 104 L CA 0.013 54.911 54.840 0.097 0.000 0.890 104 L CB 0.492 42.578 42.059 0.044 0.000 1.251 104 L HN 0.247 nan 8.230 nan 0.000 0.445 105 V N 6.374 126.404 119.914 0.193 0.000 2.415 105 V HA 0.224 4.344 4.120 0.000 0.000 0.267 105 V C 0.269 176.517 176.094 0.257 0.000 1.042 105 V CA -0.365 62.091 62.300 0.260 0.000 1.000 105 V CB 0.746 32.728 31.823 0.264 0.000 1.015 105 V HN 0.459 nan 8.190 nan 0.000 0.478 106 V N 4.169 124.195 119.914 0.187 0.000 2.513 106 V HA 0.442 4.562 4.120 0.000 0.000 0.299 106 V C 0.366 176.435 176.094 -0.042 0.000 1.035 106 V CA -0.413 61.995 62.300 0.181 0.000 0.889 106 V CB 2.035 33.904 31.823 0.076 0.000 0.988 106 V HN 0.845 nan 8.190 nan 0.000 0.440 107 S N 3.462 118.909 115.700 -0.423 0.000 2.452 107 S HA 0.490 4.960 4.470 0.000 0.000 0.284 107 S C 1.211 175.598 174.600 -0.356 0.000 1.171 107 S CA 0.042 57.942 58.200 -0.500 0.000 1.064 107 S CB 1.375 64.084 63.200 -0.819 0.000 0.967 107 S HN 1.026 nan 8.310 nan 0.000 0.484 108 A N 4.996 127.680 122.820 -0.227 0.000 2.015 108 A HA 0.166 4.486 4.320 0.000 0.000 0.219 108 A C 2.263 179.761 177.584 -0.144 0.000 1.163 108 A CA 1.515 53.454 52.037 -0.163 0.000 0.646 108 A CB -1.074 17.843 19.000 -0.139 0.000 0.806 108 A HN 1.266 nan 8.150 nan 0.000 0.448 109 A N -0.530 122.195 122.820 -0.158 0.000 2.067 109 A HA -0.092 4.228 4.320 0.000 0.000 0.219 109 A C 1.586 179.099 177.584 -0.117 0.000 1.158 109 A CA 1.633 53.599 52.037 -0.119 0.000 0.661 109 A CB -0.185 18.749 19.000 -0.110 0.000 0.801 109 A HN 0.516 nan 8.150 nan 0.000 0.452 110 D N -1.772 118.525 120.400 -0.172 0.000 2.455 110 D HA 0.317 4.957 4.640 0.000 0.000 0.228 110 D C 1.236 177.479 176.300 -0.094 0.000 1.070 110 D CA 1.060 54.983 54.000 -0.127 0.000 0.881 110 D CB 0.176 40.891 40.800 -0.142 0.000 1.087 110 D HN 0.542 nan 8.370 nan 0.000 0.498 111 G N 2.302 111.032 108.800 -0.117 0.000 2.796 111 G HA2 -0.195 3.765 3.960 0.000 0.000 0.226 111 G HA3 -0.195 3.765 3.960 0.000 0.000 0.226 111 G C -2.630 172.276 174.900 0.010 0.000 1.381 111 G CA -0.892 44.174 45.100 -0.058 0.000 0.867 111 G HN -0.040 nan 8.290 nan 0.000 0.552 112 P HA 0.232 nan 4.420 nan 0.000 0.262 112 P C 0.121 177.385 177.300 -0.059 0.000 1.199 112 P CA 0.432 63.543 63.100 0.018 0.000 0.763 112 P CB 0.544 32.253 31.700 0.015 0.000 0.790 113 M N 5.409 124.910 119.600 -0.165 0.000 2.799 113 M HA 0.329 4.809 4.480 0.000 0.000 0.274 113 M C -1.427 174.742 176.300 -0.218 0.000 1.137 113 M CA -2.516 52.508 55.300 -0.459 0.000 0.897 113 M CB 0.058 31.817 32.600 -1.402 0.000 1.567 113 M HN -0.012 nan 8.290 nan 0.000 0.536 114 P HA -0.131 nan 4.420 nan 0.000 0.213 114 P C 1.074 178.420 177.300 0.077 0.000 1.170 114 P CA 1.612 64.766 63.100 0.090 0.000 0.898 114 P CB 0.150 31.930 31.700 0.133 0.000 0.787 115 Q N -1.431 118.443 119.800 0.123 0.000 2.226 115 Q HA -0.097 4.243 4.340 0.000 0.000 0.204 115 Q C 2.156 177.898 176.000 -0.430 0.000 0.975 115 Q CA 1.582 57.161 55.803 -0.375 0.000 0.866 115 Q CB -1.527 26.743 28.738 -0.781 0.000 0.915 115 Q HN 0.205 nan 8.270 nan 0.000 0.440 116 T N -0.097 114.363 114.554 -0.158 0.000 2.622 116 T HA -0.213 4.137 4.350 0.000 0.000 0.266 116 T C 1.689 176.374 174.700 -0.025 0.000 1.047 116 T CA 1.553 63.608 62.100 -0.076 0.000 1.159 116 T CB -0.157 68.707 68.868 -0.007 0.000 0.863 116 T HN 0.289 nan 8.240 nan 0.000 0.422 117 R N 0.651 121.155 120.500 0.005 0.000 2.092 117 R HA -0.069 4.271 4.340 0.000 0.000 0.231 117 R C 2.339 178.596 176.300 -0.071 0.000 1.119 117 R CA 1.512 57.640 56.100 0.047 0.000 0.970 117 R CB -0.151 30.224 30.300 0.126 0.000 0.864 117 R HN 0.509 nan 8.270 nan 0.000 0.440 118 E N -0.582 119.577 120.200 -0.069 0.000 2.017 118 E HA -0.214 4.136 4.350 0.000 0.000 0.193 118 E C 1.888 178.507 176.600 0.031 0.000 0.997 118 E CA 1.386 57.751 56.400 -0.060 0.000 0.804 118 E CB -0.070 29.617 29.700 -0.021 0.000 0.757 118 E HN 0.427 nan 8.360 nan 0.000 0.448 119 H N 0.506 119.516 119.070 -0.099 0.000 2.394 119 H HA -0.182 4.374 4.556 0.000 0.000 0.297 119 H C 2.068 177.337 175.328 -0.099 0.000 1.113 119 H CA 1.402 57.396 56.048 -0.090 0.000 1.277 119 H CB -0.393 29.329 29.762 -0.066 0.000 1.370 119 H HN 0.260 nan 8.280 nan 0.000 0.506 120 I N -0.675 119.918 120.570 0.039 0.000 2.133 120 I HA -0.239 3.931 4.170 0.000 0.000 0.238 120 I C 2.410 178.525 176.117 -0.004 0.000 1.074 120 I CA 0.892 62.173 61.300 -0.032 0.000 1.342 120 I CB -0.329 37.684 38.000 0.020 0.000 1.053 120 I HN 0.152 nan 8.210 nan 0.000 0.404 121 L N 0.860 121.953 121.223 -0.217 0.000 2.043 121 L HA -0.240 4.100 4.340 0.000 0.000 0.212 121 L C 2.358 179.162 176.870 -0.111 0.000 1.075 121 L CA 1.851 56.516 54.840 -0.291 0.000 0.752 121 L CB -0.455 41.223 42.059 -0.636 0.000 0.891 121 L HN 0.144 nan 8.230 nan 0.000 0.432 122 L N -1.127 120.037 121.223 -0.097 0.000 1.976 122 L HA -0.238 4.102 4.340 0.000 0.000 0.209 122 L C 2.728 179.575 176.870 -0.038 0.000 1.071 122 L CA 1.401 56.187 54.840 -0.091 0.000 0.746 122 L CB -1.155 40.834 42.059 -0.117 0.000 0.890 122 L HN 0.382 nan 8.230 nan 0.000 0.432 123 A N 0.413 123.221 122.820 -0.020 0.000 1.915 123 A HA -0.333 3.987 4.320 0.000 0.000 0.220 123 A C 2.399 180.054 177.584 0.118 0.000 1.198 123 A CA 2.601 54.653 52.037 0.024 0.000 0.647 123 A CB -0.789 18.214 19.000 0.006 0.000 0.825 123 A HN 0.479 nan 8.150 nan 0.000 0.456 124 R N -1.557 119.064 120.500 0.203 0.000 2.073 124 R HA -0.127 4.213 4.340 0.000 0.000 0.229 124 R C 2.099 178.427 176.300 0.047 0.000 1.120 124 R CA 1.455 57.671 56.100 0.193 0.000 0.967 124 R CB -0.284 30.124 30.300 0.181 0.000 0.862 124 R HN 0.408 nan 8.270 nan 0.000 0.436 125 Q N 0.193 119.997 119.800 0.007 0.000 2.226 125 Q HA -0.045 4.295 4.340 0.000 0.000 0.204 125 Q C 1.217 177.230 176.000 0.022 0.000 0.975 125 Q CA 0.899 56.686 55.803 -0.026 0.000 0.866 125 Q CB 0.050 28.743 28.738 -0.075 0.000 0.915 125 Q HN 0.200 nan 8.270 nan 0.000 0.440 126 V N -0.178 119.758 119.914 0.036 0.000 3.110 126 V HA 0.235 4.355 4.120 0.000 0.000 0.368 126 V C 1.050 177.181 176.094 0.062 0.000 1.332 126 V CA 0.804 63.140 62.300 0.059 0.000 1.287 126 V CB -0.120 31.734 31.823 0.053 0.000 1.277 126 V HN 0.551 nan 8.190 nan 0.000 0.502 127 G N 0.463 109.299 108.800 0.059 0.000 2.304 127 G HA2 -0.266 3.694 3.960 0.000 0.000 0.252 127 G HA3 -0.266 3.694 3.960 0.000 0.000 0.252 127 G C 0.433 175.381 174.900 0.080 0.000 1.014 127 G CA 0.185 45.321 45.100 0.060 0.000 0.619 127 G HN 0.566 nan 8.290 nan 0.000 0.525 128 V N 2.497 122.475 119.914 0.106 0.000 2.555 128 V HA 0.183 4.303 4.120 0.000 0.000 0.299 128 V C -0.114 176.098 176.094 0.197 0.000 1.012 128 V CA 0.704 63.092 62.300 0.146 0.000 1.180 128 V CB 0.744 32.647 31.823 0.132 0.000 0.887 128 V HN 0.402 nan 8.190 nan 0.000 0.476 129 P HA 0.202 nan 4.420 nan 0.000 0.264 129 P C -0.603 176.484 177.300 -0.355 0.000 1.259 129 P CA 0.261 63.340 63.100 -0.034 0.000 0.841 129 P CB 0.395 32.103 31.700 0.013 0.000 1.232 130 Y N -0.484 119.890 120.300 0.122 0.000 2.433 130 Y HA 0.508 5.058 4.550 0.000 0.000 0.337 130 Y C -0.111 175.790 175.900 0.001 0.000 1.026 130 Y CA -0.924 57.182 58.100 0.010 0.000 1.037 130 Y CB 1.753 40.081 38.460 -0.221 0.000 1.245 130 Y HN -0.327 nan 8.280 nan 0.000 0.443 131 I N 2.854 123.507 120.570 0.139 0.000 2.608 131 I HA 0.626 4.796 4.170 0.000 0.000 0.295 131 I C -1.043 175.243 176.117 0.283 0.000 1.049 131 I CA -0.934 60.405 61.300 0.065 0.000 1.063 131 I CB 2.142 40.027 38.000 -0.191 0.000 1.248 131 I HN 0.327 nan 8.210 nan 0.000 0.424 132 V N 6.240 126.295 119.914 0.235 0.000 2.769 132 V HA 0.598 4.718 4.120 0.000 0.000 0.312 132 V C -0.592 175.608 176.094 0.177 0.000 1.061 132 V CA -0.597 61.882 62.300 0.299 0.000 0.931 132 V CB 2.613 34.615 31.823 0.298 0.000 1.010 132 V HN 0.409 nan 8.190 nan 0.000 0.433 133 V N 4.182 124.190 119.914 0.157 0.000 2.715 133 V HA 0.572 4.692 4.120 0.000 0.000 0.310 133 V C -0.959 175.265 176.094 0.217 0.000 1.054 133 V CA -0.752 61.635 62.300 0.146 0.000 0.928 133 V CB 1.801 33.673 31.823 0.083 0.000 1.007 133 V HN 0.697 nan 8.190 nan 0.000 0.437 134 F N 4.241 124.214 119.950 0.038 0.000 2.539 134 F HA 0.599 5.126 4.527 0.000 0.000 0.328 134 F C -0.161 175.654 175.800 0.025 0.000 1.148 134 F CA -0.842 57.176 58.000 0.031 0.000 0.940 134 F CB 1.789 40.807 39.000 0.030 0.000 1.194 134 F HN 0.539 nan 8.300 nan 0.000 0.438 135 M N 6.702 125.981 119.600 -0.536 0.000 2.557 135 M HA 0.199 4.679 4.480 0.000 0.000 0.328 135 M C -0.475 175.378 176.300 -0.744 0.000 1.423 135 M CA -0.028 55.005 55.300 -0.444 0.000 1.418 135 M CB -0.437 31.986 32.600 -0.294 0.000 1.381 135 M HN 0.722 nan 8.290 nan 0.000 0.467 136 N N 3.043 121.459 118.700 -0.473 0.000 2.418 136 N HA 0.251 4.991 4.740 0.000 0.000 0.283 136 N C -0.505 174.889 175.510 -0.193 0.000 1.267 136 N CA 0.214 53.108 53.050 -0.260 0.000 0.975 136 N CB 0.650 39.233 38.487 0.161 0.000 1.167 136 N HN 0.617 nan 8.380 nan 0.000 0.581 137 K N -1.277 119.043 120.400 -0.132 0.000 3.016 137 K HA -0.148 4.172 4.320 0.000 0.000 0.262 137 K C 0.696 177.204 176.600 -0.153 0.000 1.043 137 K CA 0.347 56.547 56.287 -0.146 0.000 0.761 137 K CB -1.687 30.730 32.500 -0.138 0.000 1.230 137 K HN 0.250 nan 8.250 nan 0.000 0.485 138 V N 1.095 120.912 119.914 -0.163 0.000 2.548 138 V HA -0.246 3.874 4.120 0.000 0.000 0.249 138 V C 2.284 178.337 176.094 -0.068 0.000 1.055 138 V CA 2.192 64.431 62.300 -0.102 0.000 1.065 138 V CB -0.252 31.532 31.823 -0.065 0.000 0.681 138 V HN 0.541 nan 8.190 nan 0.000 0.462 139 D N -0.237 120.064 120.400 -0.165 0.000 2.221 139 D HA -0.242 4.399 4.640 0.000 0.000 0.204 139 D C 1.884 178.144 176.300 -0.066 0.000 0.982 139 D CA 1.293 55.212 54.000 -0.135 0.000 0.857 139 D CB -0.293 40.319 40.800 -0.313 0.000 0.934 139 D HN 0.360 nan 8.370 nan 0.000 0.475 140 M N 0.429 119.979 119.600 -0.084 0.000 2.506 140 M HA 0.082 4.562 4.480 0.000 0.000 0.260 140 M C 0.486 176.760 176.300 -0.043 0.000 1.104 140 M CA 0.241 55.504 55.300 -0.061 0.000 1.112 140 M CB 0.481 33.037 32.600 -0.074 0.000 1.401 140 M HN -0.181 nan 8.290 nan 0.000 0.473 141 V N 2.057 121.946 119.914 -0.042 0.000 2.348 141 V HA 0.071 4.191 4.120 0.000 0.000 0.270 141 V C 0.878 176.964 176.094 -0.015 0.000 1.037 141 V CA -0.315 61.965 62.300 -0.034 0.000 0.872 141 V CB 1.145 32.938 31.823 -0.049 0.000 1.002 141 V HN 0.219 nan 8.190 nan 0.000 0.464 142 D N 2.042 122.435 120.400 -0.012 0.000 2.084 142 D HA -0.089 4.551 4.640 0.000 0.000 0.196 142 D C 0.892 177.188 176.300 -0.006 0.000 0.985 142 D CA 1.140 55.138 54.000 -0.004 0.000 0.826 142 D CB 0.173 40.972 40.800 -0.002 0.000 0.978 142 D HN 0.597 nan 8.370 nan 0.000 0.456 143 D N 0.652 121.045 120.400 -0.013 0.000 2.412 143 D HA -0.022 4.618 4.640 0.000 0.000 0.257 143 D C -1.513 174.778 176.300 -0.016 0.000 1.217 143 D CA -1.418 52.574 54.000 -0.014 0.000 0.897 143 D CB 1.604 42.394 40.800 -0.017 0.000 1.132 143 D HN -0.050 nan 8.370 nan 0.000 0.493 144 P HA -0.143 nan 4.420 nan 0.000 0.213 144 P C 1.142 178.432 177.300 -0.017 0.000 1.170 144 P CA 0.958 64.050 63.100 -0.014 0.000 0.898 144 P CB 0.344 32.038 31.700 -0.011 0.000 0.787 145 E N -0.220 119.971 120.200 -0.016 0.000 2.086 145 E HA -0.201 4.149 4.350 0.000 0.000 0.200 145 E C 2.077 178.665 176.600 -0.020 0.000 1.012 145 E CA 0.975 57.365 56.400 -0.016 0.000 0.812 145 E CB -1.382 28.309 29.700 -0.014 0.000 0.743 145 E HN 0.173 nan 8.360 nan 0.000 0.453 146 L N 0.727 121.937 121.223 -0.022 0.000 2.046 146 L HA -0.122 4.218 4.340 0.000 0.000 0.208 146 L C 2.271 179.121 176.870 -0.034 0.000 1.077 146 L CA 1.475 56.299 54.840 -0.028 0.000 0.747 146 L CB -0.528 41.514 42.059 -0.029 0.000 0.896 146 L HN 0.087 nan 8.230 nan 0.000 0.432 147 L N -0.595 120.607 121.223 -0.035 0.000 2.083 147 L HA -0.225 4.115 4.340 0.000 0.000 0.209 147 L C 2.137 178.984 176.870 -0.038 0.000 1.083 147 L CA 1.762 56.576 54.840 -0.043 0.000 0.752 147 L CB -0.811 41.225 42.059 -0.038 0.000 0.899 147 L HN 0.347 nan 8.230 nan 0.000 0.433 148 D N -0.319 120.064 120.400 -0.029 0.000 2.144 148 D HA -0.184 4.456 4.640 0.000 0.000 0.199 148 D C 1.931 178.217 176.300 -0.023 0.000 0.984 148 D CA 0.723 54.708 54.000 -0.025 0.000 0.834 148 D CB -0.023 40.766 40.800 -0.019 0.000 0.955 148 D HN 0.083 nan 8.370 nan 0.000 0.465 149 L N 0.279 121.488 121.223 -0.024 0.000 2.027 149 L HA -0.104 4.236 4.340 0.000 0.000 0.206 149 L C 2.118 178.974 176.870 -0.023 0.000 1.074 149 L CA 1.306 56.133 54.840 -0.022 0.000 0.745 149 L CB -0.633 41.412 42.059 -0.022 0.000 0.898 149 L HN -0.075 nan 8.230 nan 0.000 0.433 150 V N 0.015 119.911 119.914 -0.031 0.000 2.324 150 V HA -0.364 3.756 4.120 0.000 0.000 0.250 150 V C 2.645 178.724 176.094 -0.025 0.000 1.060 150 V CA 2.151 64.431 62.300 -0.033 0.000 1.042 150 V CB -0.631 31.162 31.823 -0.051 0.000 0.650 150 V HN 0.628 nan 8.190 nan 0.000 0.450 151 E N -0.688 119.496 120.200 -0.028 0.000 2.051 151 E HA -0.275 4.075 4.350 0.000 0.000 0.192 151 E C 2.265 178.859 176.600 -0.011 0.000 0.991 151 E CA 1.819 58.206 56.400 -0.021 0.000 0.799 151 E CB -0.169 29.516 29.700 -0.026 0.000 0.748 151 E HN 0.543 nan 8.360 nan 0.000 0.449 152 M N 0.664 120.257 119.600 -0.012 0.000 2.065 152 M HA -0.220 4.260 4.480 0.000 0.000 0.259 152 M C 1.985 178.283 176.300 -0.003 0.000 1.069 152 M CA 1.871 57.167 55.300 -0.007 0.000 1.110 152 M CB -0.059 32.535 32.600 -0.010 0.000 1.328 152 M HN 0.114 nan 8.290 nan 0.000 0.405 153 E N -0.807 119.390 120.200 -0.005 0.000 2.048 153 E HA -0.254 4.096 4.350 0.000 0.000 0.202 153 E C 1.900 178.507 176.600 0.011 0.000 1.021 153 E CA 1.975 58.375 56.400 -0.000 0.000 0.825 153 E CB -0.610 29.088 29.700 -0.004 0.000 0.756 153 E HN 0.377 nan 8.360 nan 0.000 0.454 154 V N 1.327 121.248 119.914 0.012 0.000 2.287 154 V HA -0.280 3.840 4.120 0.000 0.000 0.248 154 V C 2.374 178.486 176.094 0.030 0.000 1.053 154 V CA 1.957 64.272 62.300 0.024 0.000 1.027 154 V CB -0.554 31.279 31.823 0.018 0.000 0.646 154 V HN 0.222 nan 8.190 nan 0.000 0.447 155 R N 0.061 120.573 120.500 0.021 0.000 2.120 155 R HA -0.187 4.153 4.340 0.000 0.000 0.234 155 R C 2.214 178.532 176.300 0.030 0.000 1.123 155 R CA 1.743 57.860 56.100 0.029 0.000 0.975 155 R CB -0.544 29.766 30.300 0.017 0.000 0.866 155 R HN 0.773 nan 8.270 nan 0.000 0.446 156 D N 0.650 121.059 120.400 0.014 0.000 2.103 156 D HA -0.164 4.476 4.640 0.000 0.000 0.199 156 D C 1.958 178.252 176.300 -0.009 0.000 0.978 156 D CA 0.769 54.768 54.000 -0.002 0.000 0.829 156 D CB 0.042 40.835 40.800 -0.012 0.000 0.981 156 D HN 0.048 nan 8.370 nan 0.000 0.464 157 L N 1.081 122.313 121.223 0.015 0.000 2.013 157 L HA -0.181 4.159 4.340 0.000 0.000 0.212 157 L C 2.496 179.420 176.870 0.090 0.000 1.073 157 L CA 1.303 56.169 54.840 0.042 0.000 0.753 157 L CB -1.234 40.882 42.059 0.095 0.000 0.890 157 L HN 0.149 nan 8.230 nan 0.000 0.432 158 L N -0.143 121.153 121.223 0.121 0.000 2.013 158 L HA -0.260 4.080 4.340 0.000 0.000 0.212 158 L C 2.328 179.325 176.870 0.212 0.000 1.073 158 L CA 1.755 56.713 54.840 0.197 0.000 0.753 158 L CB -1.609 40.524 42.059 0.124 0.000 0.890 158 L HN 0.431 nan 8.230 nan 0.000 0.432 159 N N -0.448 118.299 118.700 0.078 0.000 2.364 159 N HA -0.161 4.579 4.740 0.000 0.000 0.183 159 N C 1.794 177.247 175.510 -0.094 0.000 1.022 159 N CA 0.688 53.745 53.050 0.012 0.000 0.883 159 N CB -0.004 38.474 38.487 -0.014 0.000 0.965 159 N HN 0.530 nan 8.380 nan 0.000 0.438 160 Q N -0.959 118.710 119.800 -0.218 0.000 2.123 160 Q HA -0.047 4.293 4.340 0.000 0.000 0.199 160 Q C 0.680 176.296 176.000 -0.639 0.000 0.966 160 Q CA 0.946 56.446 55.803 -0.505 0.000 0.845 160 Q CB -0.021 28.235 28.738 -0.803 0.000 0.907 160 Q HN 0.501 nan 8.270 nan 0.000 0.439 161 Y N 0.225 120.556 120.300 0.051 0.000 2.461 161 Y HA 0.110 4.660 4.550 0.000 0.000 0.277 161 Y C 0.012 175.844 175.900 -0.115 0.000 1.182 161 Y CA 0.268 58.381 58.100 0.022 0.000 1.276 161 Y CB 0.260 38.818 38.460 0.163 0.000 1.087 161 Y HN 0.105 nan 8.280 nan 0.000 0.519 162 E N -2.358 117.813 120.200 -0.049 0.000 3.687 162 E HA -0.202 4.148 4.350 0.000 0.000 0.319 162 E C -0.462 176.021 176.600 -0.195 0.000 0.821 162 E CA -0.033 56.278 56.400 -0.148 0.000 1.195 162 E CB -1.870 27.703 29.700 -0.213 0.000 1.605 162 E HN 0.301 nan 8.360 nan 0.000 0.419 163 F N 0.704 120.658 119.950 0.008 0.000 2.375 163 F HA 0.299 4.826 4.527 0.000 0.000 0.313 163 F C -1.472 174.337 175.800 0.015 0.000 1.176 163 F CA -1.821 56.182 58.000 0.005 0.000 1.142 163 F CB 0.293 39.316 39.000 0.038 0.000 1.275 163 F HN -0.243 nan 8.300 nan 0.000 0.544 164 P HA 0.150 nan 4.420 nan 0.000 0.214 164 P C 0.733 178.129 177.300 0.161 0.000 1.849 164 P CA 0.070 63.262 63.100 0.154 0.000 1.022 164 P CB 0.214 32.006 31.700 0.152 0.000 1.912 165 G N 1.618 110.506 108.800 0.147 0.000 2.507 165 G HA2 -0.297 3.663 3.960 0.000 0.000 0.221 165 G HA3 -0.297 3.663 3.960 0.000 0.000 0.221 165 G C 1.212 176.147 174.900 0.059 0.000 1.119 165 G CA 0.715 45.877 45.100 0.103 0.000 0.751 165 G HN 0.213 nan 8.290 nan 0.000 0.574 166 D N 0.595 121.026 120.400 0.052 0.000 2.104 166 D HA -0.056 4.584 4.640 0.000 0.000 0.194 166 D C 2.484 178.795 176.300 0.019 0.000 0.994 166 D CA 1.123 55.141 54.000 0.029 0.000 0.830 166 D CB -0.130 40.688 40.800 0.029 0.000 0.959 166 D HN 0.499 nan 8.370 nan 0.000 0.452 167 E N -0.459 119.764 120.200 0.039 0.000 2.447 167 E HA 0.076 4.426 4.350 0.000 0.000 0.195 167 E C 0.230 176.763 176.600 -0.113 0.000 1.028 167 E CA -0.203 56.200 56.400 0.006 0.000 0.876 167 E CB 0.751 30.501 29.700 0.083 0.000 0.885 167 E HN -0.009 nan 8.360 nan 0.000 0.500 168 V N 3.392 123.279 119.914 -0.045 0.000 2.788 168 V HA -0.026 4.094 4.120 0.000 0.000 0.307 168 V C -2.046 173.902 176.094 -0.243 0.000 1.069 168 V CA -0.766 61.453 62.300 -0.135 0.000 1.173 168 V CB 0.147 32.015 31.823 0.074 0.000 0.925 168 V HN 0.026 nan 8.190 nan 0.000 0.492 169 P HA 0.336 nan 4.420 nan 0.000 0.285 169 P C -0.989 176.285 177.300 -0.044 0.000 1.259 169 P CA -0.133 62.845 63.100 -0.204 0.000 0.794 169 P CB 1.071 32.673 31.700 -0.162 0.000 0.940 170 V N 5.296 125.197 119.914 -0.021 0.000 2.357 170 V HA 0.241 4.361 4.120 0.000 0.000 0.281 170 V C 0.206 176.307 176.094 0.010 0.000 1.015 170 V CA -0.543 61.760 62.300 0.005 0.000 0.827 170 V CB 1.032 32.845 31.823 -0.017 0.000 1.018 170 V HN 0.346 nan 8.190 nan 0.000 0.432 171 I N 4.702 125.306 120.570 0.056 0.000 2.577 171 I HA 0.566 4.736 4.170 0.000 0.000 0.300 171 I C 0.539 176.572 176.117 -0.139 0.000 0.990 171 I CA -0.478 60.863 61.300 0.069 0.000 1.283 171 I CB 1.320 39.500 38.000 0.300 0.000 1.411 171 I HN 0.509 nan 8.210 nan 0.000 0.515 172 R N 3.048 123.459 120.500 -0.148 0.000 2.561 172 R HA 0.832 5.172 4.340 0.000 0.000 0.297 172 R C -0.453 175.730 176.300 -0.194 0.000 0.969 172 R CA -0.929 54.990 56.100 -0.301 0.000 0.879 172 R CB 2.157 32.375 30.300 -0.136 0.000 1.178 172 R HN 0.875 nan 8.270 nan 0.000 0.445 173 G N 0.058 108.650 108.800 -0.347 0.000 2.441 173 G HA2 0.294 4.254 3.960 0.000 0.000 0.294 173 G HA3 0.294 4.254 3.960 0.000 0.000 0.294 173 G C -1.659 173.234 174.900 -0.012 0.000 1.393 173 G CA -0.564 44.591 45.100 0.091 0.000 0.796 173 G HN 0.382 nan 8.290 nan 0.000 0.494 174 S N -0.866 114.790 115.700 -0.074 0.000 2.454 174 S HA 0.650 5.120 4.470 0.000 0.000 0.306 174 S C 1.091 175.635 174.600 -0.092 0.000 1.100 174 S CA 0.594 58.621 58.200 -0.288 0.000 1.087 174 S CB 1.468 64.184 63.200 -0.807 0.000 1.019 174 S HN 1.774 nan 8.310 nan 0.000 0.480 175 A N 4.671 127.502 122.820 0.019 0.000 1.984 175 A HA 0.170 4.490 4.320 0.000 0.000 0.214 175 A C 1.805 179.339 177.584 -0.084 0.000 1.173 175 A CA 0.368 52.413 52.037 0.012 0.000 0.673 175 A CB -0.654 18.385 19.000 0.066 0.000 0.830 175 A HN 0.776 nan 8.150 nan 0.000 0.453 176 L N -0.193 120.958 121.223 -0.121 0.000 2.012 176 L HA -0.137 4.204 4.340 0.000 0.000 0.210 176 L C 2.116 178.867 176.870 -0.198 0.000 1.073 176 L CA 1.803 56.557 54.840 -0.144 0.000 0.748 176 L CB -0.978 40.984 42.059 -0.162 0.000 0.891 176 L HN 0.283 nan 8.230 nan 0.000 0.431 177 L N -0.169 120.848 121.223 -0.343 0.000 1.994 177 L HA -0.092 4.248 4.340 0.000 0.000 0.208 177 L C 2.717 179.495 176.870 -0.155 0.000 1.071 177 L CA 2.120 56.708 54.840 -0.420 0.000 0.745 177 L CB -1.743 39.606 42.059 -1.182 0.000 0.892 177 L HN 0.306 nan 8.230 nan 0.000 0.431 178 A N -0.924 121.859 122.820 -0.062 0.000 1.972 178 A HA -0.191 4.129 4.320 0.000 0.000 0.219 178 A C 2.290 179.808 177.584 -0.111 0.000 1.169 178 A CA 1.645 53.700 52.037 0.030 0.000 0.635 178 A CB -0.832 18.203 19.000 0.058 0.000 0.810 178 A HN 0.349 nan 8.150 nan 0.000 0.446 179 L N 0.089 121.198 121.223 -0.189 0.000 2.012 179 L HA -0.184 4.156 4.340 0.000 0.000 0.210 179 L C 2.223 178.767 176.870 -0.544 0.000 1.073 179 L CA 2.463 57.071 54.840 -0.387 0.000 0.748 179 L CB -0.644 41.245 42.059 -0.282 0.000 0.891 179 L HN 0.517 nan 8.230 nan 0.000 0.431 180 E N -0.681 119.383 120.200 -0.225 0.000 2.049 180 E HA -0.324 4.026 4.350 0.000 0.000 0.198 180 E C 2.067 178.630 176.600 -0.061 0.000 1.007 180 E CA 1.547 57.913 56.400 -0.057 0.000 0.809 180 E CB -0.151 29.530 29.700 -0.031 0.000 0.749 180 E HN 0.480 nan 8.360 nan 0.000 0.450 181 E N 0.614 120.787 120.200 -0.044 0.000 2.048 181 E HA -0.219 4.131 4.350 0.000 0.000 0.202 181 E C 1.846 178.427 176.600 -0.033 0.000 1.021 181 E CA 1.632 58.038 56.400 0.011 0.000 0.825 181 E CB -0.113 29.631 29.700 0.074 0.000 0.756 181 E HN 0.143 nan 8.360 nan 0.000 0.454 182 M N -0.389 119.131 119.600 -0.133 0.000 2.446 182 M HA -0.082 4.398 4.480 0.000 0.000 0.263 182 M C 1.831 178.036 176.300 -0.158 0.000 1.066 182 M CA 1.369 56.589 55.300 -0.134 0.000 1.087 182 M CB -1.177 31.334 32.600 -0.148 0.000 1.406 182 M HN 0.322 nan 8.290 nan 0.000 0.459 183 H N -0.220 118.744 119.070 -0.176 0.000 2.384 183 H HA 0.030 4.586 4.556 0.000 0.000 0.300 183 H C 2.178 177.464 175.328 -0.070 0.000 1.057 183 H CA 0.716 56.662 56.048 -0.170 0.000 1.370 183 H CB 0.403 30.056 29.762 -0.181 0.000 1.417 183 H HN 0.287 nan 8.280 nan 0.000 0.527 184 K N 0.625 121.073 120.400 0.079 0.000 2.026 184 K HA -0.114 4.206 4.320 0.000 0.000 0.208 184 K C 0.068 176.699 176.600 0.052 0.000 1.048 184 K CA 1.510 57.830 56.287 0.054 0.000 0.929 184 K CB 0.002 32.530 32.500 0.046 0.000 0.713 184 K HN 0.396 nan 8.250 nan 0.000 0.439 185 N N -1.684 117.046 118.700 0.050 0.000 2.875 185 N HA 0.104 4.844 4.740 0.000 0.000 0.253 185 N C -2.619 172.936 175.510 0.074 0.000 1.296 185 N CA -1.070 52.016 53.050 0.060 0.000 0.816 185 N CB 1.766 40.285 38.487 0.053 0.000 1.504 185 N HN -0.297 nan 8.380 nan 0.000 0.582 186 P HA -0.232 nan 4.420 nan 0.000 0.219 186 P C 0.331 177.705 177.300 0.123 0.000 1.147 186 P CA 1.360 64.547 63.100 0.145 0.000 0.821 186 P CB 0.213 32.007 31.700 0.157 0.000 0.771 187 K N -1.527 118.930 120.400 0.095 0.000 2.404 187 K HA 0.099 4.419 4.320 0.000 0.000 0.194 187 K C 0.318 176.973 176.600 0.091 0.000 1.023 187 K CA 0.020 56.359 56.287 0.086 0.000 1.094 187 K CB -0.313 32.226 32.500 0.066 0.000 0.841 187 K HN 0.095 nan 8.250 nan 0.000 0.523 188 T N 2.439 117.054 114.554 0.102 0.000 2.946 188 T HA 0.012 4.362 4.350 0.000 0.000 0.312 188 T C 0.205 174.999 174.700 0.157 0.000 1.066 188 T CA 0.305 62.473 62.100 0.113 0.000 1.138 188 T CB 0.496 69.431 68.868 0.113 0.000 1.014 188 T HN -0.033 nan 8.240 nan 0.000 0.544 189 K N 1.780 122.257 120.400 0.129 0.000 2.395 189 K HA 0.449 4.769 4.320 0.000 0.000 0.245 189 K C 0.041 176.696 176.600 0.091 0.000 1.017 189 K CA -1.076 55.280 56.287 0.114 0.000 0.852 189 K CB 1.272 33.782 32.500 0.016 0.000 1.311 189 K HN 0.521 nan 8.250 nan 0.000 0.452 190 R N -0.239 120.202 120.500 -0.097 0.000 2.698 190 R HA 0.286 4.626 4.340 0.000 0.000 0.266 190 R C 1.112 177.372 176.300 -0.066 0.000 1.026 190 R CA 0.907 56.913 56.100 -0.156 0.000 1.102 190 R CB -0.294 29.687 30.300 -0.531 0.000 0.978 190 R HN 0.906 nan 8.270 nan 0.000 0.436 191 G N 1.125 109.918 108.800 -0.012 0.000 2.579 191 G HA2 -0.382 3.578 3.960 0.000 0.000 0.222 191 G HA3 -0.382 3.578 3.960 0.000 0.000 0.222 191 G C 1.028 175.926 174.900 -0.004 0.000 1.201 191 G CA 0.362 45.450 45.100 -0.020 0.000 0.710 191 G HN 0.686 nan 8.290 nan 0.000 0.516 192 E N 0.601 120.808 120.200 0.012 0.000 2.049 192 E HA -0.132 4.218 4.350 0.000 0.000 0.198 192 E C 1.158 177.768 176.600 0.016 0.000 1.007 192 E CA 1.311 57.722 56.400 0.018 0.000 0.809 192 E CB -0.040 29.682 29.700 0.036 0.000 0.749 192 E HN 0.534 nan 8.360 nan 0.000 0.450 193 N N -0.331 118.392 118.700 0.039 0.000 2.238 193 N HA -0.014 4.726 4.740 0.000 0.000 0.302 193 N C 0.157 175.655 175.510 -0.020 0.000 1.072 193 N CA -0.056 53.000 53.050 0.010 0.000 0.792 193 N CB 2.358 40.876 38.487 0.051 0.000 1.425 193 N HN -0.035 nan 8.380 nan 0.000 0.478 194 E N 2.763 122.862 120.200 -0.169 0.000 2.012 194 E HA -0.155 4.195 4.350 0.000 0.000 0.197 194 E C 1.067 177.521 176.600 -0.242 0.000 1.007 194 E CA 1.611 57.812 56.400 -0.331 0.000 0.816 194 E CB -0.072 29.203 29.700 -0.709 0.000 0.762 194 E HN 0.723 nan 8.360 nan 0.000 0.451 195 W N 0.226 121.548 121.300 0.038 0.000 2.333 195 W HA -0.223 4.437 4.660 0.000 0.000 0.316 195 W C 2.423 178.962 176.519 0.033 0.000 1.215 195 W CA 0.374 57.740 57.345 0.034 0.000 1.278 195 W CB -0.548 28.920 29.460 0.013 0.000 1.154 195 W HN 0.027 nan 8.180 nan 0.000 0.486 196 V N 0.907 120.984 119.914 0.272 0.000 2.252 196 V HA -0.362 3.758 4.120 0.000 0.000 0.249 196 V C 1.651 177.849 176.094 0.173 0.000 1.056 196 V CA 2.405 64.797 62.300 0.154 0.000 1.022 196 V CB -0.986 30.929 31.823 0.153 0.000 0.641 196 V HN 0.077 nan 8.190 nan 0.000 0.445 197 D N -0.420 120.110 120.400 0.217 0.000 2.228 197 D HA -0.153 4.487 4.640 0.000 0.000 0.203 197 D C 2.183 178.619 176.300 0.227 0.000 0.988 197 D CA 0.859 55.017 54.000 0.264 0.000 0.864 197 D CB -0.182 40.704 40.800 0.144 0.000 0.928 197 D HN 0.368 nan 8.370 nan 0.000 0.469 198 K N 0.287 120.808 120.400 0.201 0.000 2.025 198 K HA -0.072 4.248 4.320 0.000 0.000 0.207 198 K C 2.014 178.731 176.600 0.194 0.000 1.049 198 K CA 0.433 56.858 56.287 0.229 0.000 0.933 198 K CB -0.492 32.207 32.500 0.333 0.000 0.714 198 K HN 0.212 nan 8.250 nan 0.000 0.438 199 I N -0.059 120.559 120.570 0.079 0.000 2.248 199 I HA -0.240 3.930 4.170 0.000 0.000 0.248 199 I C 2.243 178.251 176.117 -0.181 0.000 1.107 199 I CA 0.892 62.102 61.300 -0.150 0.000 1.373 199 I CB -1.387 36.398 38.000 -0.358 0.000 1.055 199 I HN 0.202 nan 8.210 nan 0.000 0.418 200 W N 1.562 122.867 121.300 0.008 0.000 2.358 200 W HA -0.169 4.491 4.660 0.000 0.000 0.303 200 W C 2.579 179.110 176.519 0.021 0.000 1.208 200 W CA 0.935 58.281 57.345 0.002 0.000 1.274 200 W CB -0.239 29.227 29.460 0.011 0.000 1.138 200 W HN 0.211 nan 8.180 nan 0.000 0.515 201 E N -0.218 120.131 120.200 0.249 0.000 2.153 201 E HA -0.237 4.113 4.350 0.000 0.000 0.194 201 E C 1.981 178.670 176.600 0.148 0.000 0.988 201 E CA 1.077 57.589 56.400 0.187 0.000 0.811 201 E CB -0.570 29.226 29.700 0.161 0.000 0.746 201 E HN 0.178 nan 8.360 nan 0.000 0.466 202 L N 1.533 122.818 121.223 0.104 0.000 1.955 202 L HA -0.184 4.156 4.340 0.000 0.000 0.213 202 L C 2.201 179.081 176.870 0.017 0.000 1.072 202 L CA 1.586 56.451 54.840 0.041 0.000 0.755 202 L CB -0.931 41.050 42.059 -0.130 0.000 0.888 202 L HN 0.144 nan 8.230 nan 0.000 0.432 203 L N -0.355 120.843 121.223 -0.041 0.000 2.030 203 L HA -0.370 3.970 4.340 0.000 0.000 0.222 203 L C 2.348 179.299 176.870 0.135 0.000 1.082 203 L CA 1.948 56.788 54.840 -0.000 0.000 0.785 203 L CB -0.892 41.184 42.059 0.029 0.000 0.895 203 L HN 0.388 nan 8.230 nan 0.000 0.439 204 D N -0.296 120.219 120.400 0.191 0.000 2.092 204 D HA -0.178 4.462 4.640 0.000 0.000 0.193 204 D C 2.191 178.582 176.300 0.152 0.000 0.994 204 D CA 1.556 55.663 54.000 0.179 0.000 0.828 204 D CB -0.286 40.614 40.800 0.168 0.000 0.963 204 D HN 0.375 nan 8.370 nan 0.000 0.450 205 A N 0.753 123.657 122.820 0.139 0.000 1.917 205 A HA -0.216 4.104 4.320 0.000 0.000 0.219 205 A C 2.402 180.101 177.584 0.193 0.000 1.182 205 A CA 1.323 53.456 52.037 0.159 0.000 0.633 205 A CB -0.891 18.196 19.000 0.145 0.000 0.819 205 A HN 0.242 nan 8.150 nan 0.000 0.448 206 I N -0.450 120.199 120.570 0.131 0.000 2.142 206 I HA -0.253 3.917 4.170 0.000 0.000 0.240 206 I C 2.109 178.321 176.117 0.159 0.000 1.078 206 I CA 1.657 63.008 61.300 0.086 0.000 1.343 206 I CB -0.546 37.406 38.000 -0.081 0.000 1.046 206 I HN 0.286 nan 8.210 nan 0.000 0.405 207 D N 0.587 121.111 120.400 0.208 0.000 2.084 207 D HA -0.167 4.473 4.640 0.000 0.000 0.194 207 D C 2.200 178.600 176.300 0.165 0.000 0.990 207 D CA 1.280 55.432 54.000 0.253 0.000 0.826 207 D CB -0.192 40.750 40.800 0.237 0.000 0.971 207 D HN 0.292 nan 8.370 nan 0.000 0.453 208 E N -0.288 120.005 120.200 0.155 0.000 2.046 208 E HA -0.132 4.218 4.350 0.000 0.000 0.190 208 E C 2.166 178.865 176.600 0.165 0.000 0.982 208 E CA 0.484 56.968 56.400 0.140 0.000 0.800 208 E CB -0.513 29.262 29.700 0.124 0.000 0.756 208 E HN 0.354 nan 8.360 nan 0.000 0.449 209 Y N 1.299 121.624 120.300 0.043 0.000 2.153 209 Y HA 0.025 4.575 4.550 0.000 0.000 0.289 209 Y C 1.085 176.947 175.900 -0.063 0.000 1.127 209 Y CA 0.476 58.596 58.100 0.034 0.000 1.131 209 Y CB -0.100 38.410 38.460 0.083 0.000 0.995 209 Y HN -0.165 nan 8.280 nan 0.000 0.505 210 I N 4.859 125.322 120.570 -0.177 0.000 2.406 210 I HA 0.095 4.265 4.170 0.000 0.000 0.293 210 I C -2.015 173.912 176.117 -0.315 0.000 1.101 210 I CA -1.707 59.346 61.300 -0.413 0.000 1.334 210 I CB 0.312 38.235 38.000 -0.129 0.000 1.421 210 I HN 0.101 nan 8.210 nan 0.000 0.513 211 P HA 0.098 nan 4.420 nan 0.000 0.274 211 P C -0.362 176.838 177.300 -0.166 0.000 1.256 211 P CA -0.314 62.627 63.100 -0.265 0.000 0.795 211 P CB 0.539 32.053 31.700 -0.310 0.000 1.038 212 T N 2.301 116.811 114.554 -0.073 0.000 2.856 212 T HA 0.336 4.686 4.350 0.000 0.000 0.292 212 T C -1.947 172.741 174.700 -0.019 0.000 0.980 212 T CA -0.873 61.211 62.100 -0.027 0.000 1.091 212 T CB -0.175 68.694 68.868 0.000 0.000 0.936 212 T HN 0.398 nan 8.240 nan 0.000 0.503 213 P HA 0.248 nan 4.420 nan 0.000 0.280 213 P C -0.623 176.700 177.300 0.039 0.000 1.244 213 P CA -0.459 62.660 63.100 0.031 0.000 0.784 213 P CB 0.641 32.373 31.700 0.053 0.000 0.913 214 V N 5.251 125.189 119.914 0.040 0.000 2.341 214 V HA 0.053 4.173 4.120 0.000 0.000 0.248 214 V C 1.205 177.324 176.094 0.042 0.000 1.107 214 V CA 0.135 62.458 62.300 0.038 0.000 1.069 214 V CB -0.987 30.858 31.823 0.036 0.000 1.177 214 V HN 0.508 nan 8.190 nan 0.000 0.492 215 R N 2.908 123.435 120.500 0.044 0.000 2.738 215 R HA 0.396 4.737 4.340 0.000 0.000 0.275 215 R C -0.494 175.829 176.300 0.039 0.000 1.121 215 R CA -0.230 55.897 56.100 0.046 0.000 1.207 215 R CB 0.284 30.616 30.300 0.052 0.000 1.141 215 R HN 0.660 nan 8.270 nan 0.000 0.571 216 D N 0.102 120.525 120.400 0.038 0.000 2.408 216 D HA 0.149 4.789 4.640 0.000 0.000 0.261 216 D C 0.128 176.452 176.300 0.040 0.000 1.190 216 D CA -0.386 53.634 54.000 0.034 0.000 0.910 216 D CB 1.130 41.948 40.800 0.030 0.000 1.097 216 D HN 0.210 nan 8.370 nan 0.000 0.522 217 V N -0.870 119.067 119.914 0.038 0.000 3.306 217 V HA -0.062 4.058 4.120 0.000 0.000 0.264 217 V C 1.092 177.210 176.094 0.040 0.000 1.149 217 V CA 0.791 63.117 62.300 0.043 0.000 1.143 217 V CB -0.160 31.681 31.823 0.031 0.000 0.767 217 V HN 0.302 nan 8.190 nan 0.000 0.476 218 D N -0.008 120.412 120.400 0.033 0.000 2.213 218 D HA 0.019 4.659 4.640 0.000 0.000 0.205 218 D C 1.124 177.443 176.300 0.033 0.000 0.961 218 D CA 0.592 54.609 54.000 0.028 0.000 0.853 218 D CB 0.117 40.930 40.800 0.021 0.000 0.967 218 D HN 0.366 nan 8.370 nan 0.000 0.496 219 K N 1.449 121.871 120.400 0.035 0.000 2.230 219 K HA 0.178 4.498 4.320 0.000 0.000 0.253 219 K C -2.342 174.290 176.600 0.052 0.000 1.008 219 K CA -1.507 54.800 56.287 0.034 0.000 0.910 219 K CB -0.422 32.094 32.500 0.025 0.000 0.994 219 K HN -0.069 nan 8.250 nan 0.000 0.495 220 P HA -0.029 nan 4.420 nan 0.000 0.268 220 P C -0.209 177.160 177.300 0.115 0.000 1.204 220 P CA -0.095 63.051 63.100 0.076 0.000 0.768 220 P CB 0.137 31.864 31.700 0.044 0.000 0.842 221 F N 5.138 125.078 119.950 -0.017 0.000 2.607 221 F HA 0.266 4.793 4.527 0.000 0.000 0.374 221 F C -0.399 175.388 175.800 -0.021 0.000 1.104 221 F CA 0.208 58.196 58.000 -0.020 0.000 1.296 221 F CB 0.063 39.049 39.000 -0.024 0.000 1.085 221 F HN 0.117 nan 8.300 nan 0.000 0.584 222 L N 9.034 129.766 121.223 -0.819 0.000 2.580 222 L HA 0.465 4.805 4.340 0.000 0.000 0.266 222 L C -1.580 174.797 176.870 -0.823 0.000 0.955 222 L CA -0.784 53.606 54.840 -0.749 0.000 0.886 222 L CB 1.648 43.522 42.059 -0.309 0.000 1.263 222 L HN 0.789 nan 8.230 nan 0.000 0.406 223 M N 6.078 125.159 119.600 -0.865 0.000 2.165 223 M HA 0.771 5.251 4.480 0.000 0.000 0.283 223 M C -2.829 173.328 176.300 -0.238 0.000 0.978 223 M CA -1.214 53.816 55.300 -0.450 0.000 0.948 223 M CB 2.487 34.900 32.600 -0.311 0.000 1.599 223 M HN 0.298 nan 8.290 nan 0.000 0.450 224 P HA 0.198 nan 4.420 nan 0.000 0.282 224 P C -0.710 176.560 177.300 -0.050 0.000 1.262 224 P CA -0.255 62.793 63.100 -0.086 0.000 0.773 224 P CB 1.048 32.717 31.700 -0.052 0.000 0.879 225 V N 4.251 124.136 119.914 -0.048 0.000 2.585 225 V HA 0.004 4.124 4.120 0.000 0.000 0.296 225 V C 1.581 177.661 176.094 -0.024 0.000 1.035 225 V CA 0.644 62.923 62.300 -0.034 0.000 1.084 225 V CB 0.699 32.495 31.823 -0.043 0.000 0.953 225 V HN 0.678 nan 8.190 nan 0.000 0.483 226 E N 2.559 122.750 120.200 -0.015 0.000 2.434 226 E HA 0.101 4.451 4.350 0.000 0.000 0.207 226 E C -0.111 176.467 176.600 -0.036 0.000 0.929 226 E CA 0.231 56.634 56.400 0.005 0.000 1.001 226 E CB 0.912 30.646 29.700 0.057 0.000 1.016 226 E HN 0.807 nan 8.360 nan 0.000 0.502 227 D N -1.010 119.336 120.400 -0.089 0.000 2.710 227 D HA 0.321 4.961 4.640 0.000 0.000 0.276 227 D C -1.781 174.323 176.300 -0.327 0.000 1.267 227 D CA -0.428 53.427 54.000 -0.242 0.000 0.772 227 D CB 2.172 42.813 40.800 -0.265 0.000 1.299 227 D HN -0.138 nan 8.370 nan 0.000 0.421 228 V N 2.061 121.640 119.914 -0.559 0.000 2.655 228 V HA 0.563 4.683 4.120 0.000 0.000 0.301 228 V C -0.885 174.865 176.094 -0.573 0.000 1.082 228 V CA -0.647 61.413 62.300 -0.400 0.000 0.899 228 V CB 1.326 33.032 31.823 -0.195 0.000 1.014 228 V HN 0.419 nan 8.190 nan 0.000 0.429 229 F N 0.945 120.882 119.950 -0.022 0.000 2.639 229 F HA 0.781 5.308 4.527 0.000 0.000 0.339 229 F C 0.525 176.315 175.800 -0.017 0.000 1.071 229 F CA -1.049 56.940 58.000 -0.018 0.000 0.994 229 F CB 1.969 40.957 39.000 -0.020 0.000 1.341 229 F HN 0.235 nan 8.300 nan 0.000 0.498 230 T N 2.838 117.528 114.554 0.227 0.000 2.864 230 T HA 0.524 4.874 4.350 0.000 0.000 0.299 230 T C -0.929 173.831 174.700 0.100 0.000 1.011 230 T CA -0.300 61.869 62.100 0.115 0.000 0.975 230 T CB 0.362 69.270 68.868 0.067 0.000 0.962 230 T HN 0.158 nan 8.240 nan 0.000 0.448 231 I N 3.809 124.418 120.570 0.065 0.000 2.392 231 I HA 0.327 4.497 4.170 0.000 0.000 0.295 231 I C 1.051 177.178 176.117 0.016 0.000 0.985 231 I CA -0.856 60.458 61.300 0.023 0.000 1.221 231 I CB 1.548 39.549 38.000 0.002 0.000 1.366 231 I HN 0.573 nan 8.210 nan 0.000 0.467 232 T N 3.214 117.773 114.554 0.007 0.000 2.901 232 T HA 0.416 4.766 4.350 0.000 0.000 0.301 232 T C 1.187 175.888 174.700 0.001 0.000 1.012 232 T CA 0.161 62.264 62.100 0.006 0.000 1.135 232 T CB 0.916 69.786 68.868 0.004 0.000 0.936 232 T HN 1.013 nan 8.240 nan 0.000 0.539 233 G N 2.363 111.164 108.800 0.002 0.000 2.189 233 G HA2 -0.296 3.664 3.960 0.000 0.000 0.267 233 G HA3 -0.296 3.664 3.960 0.000 0.000 0.267 233 G C 1.172 176.071 174.900 -0.002 0.000 0.975 233 G CA 0.466 45.566 45.100 -0.001 0.000 0.644 233 G HN 0.634 nan 8.290 nan 0.000 0.537 234 R N -0.677 119.823 120.500 -0.000 0.000 2.502 234 R HA 0.577 4.917 4.340 0.000 0.000 0.174 234 R C 1.388 177.690 176.300 0.003 0.000 1.201 234 R CA 1.494 57.593 56.100 -0.001 0.000 1.151 234 R CB -0.405 29.891 30.300 -0.006 0.000 1.202 234 R HN 1.344 nan 8.270 nan 0.000 0.509 235 G N -0.021 108.785 108.800 0.011 0.000 2.534 235 G HA2 -0.016 3.944 3.960 0.000 0.000 0.142 235 G HA3 -0.016 3.944 3.960 0.000 0.000 0.142 235 G C -1.397 173.521 174.900 0.030 0.000 1.178 235 G CA -0.471 44.639 45.100 0.016 0.000 1.037 235 G HN 0.056 nan 8.290 nan 0.000 0.474 236 T N 1.140 115.710 114.554 0.028 0.000 2.770 236 T HA 0.595 4.945 4.350 0.000 0.000 0.297 236 T C -0.334 174.393 174.700 0.045 0.000 0.997 236 T CA -0.165 61.957 62.100 0.037 0.000 0.949 236 T CB 1.279 70.158 68.868 0.018 0.000 0.941 236 T HN 0.639 nan 8.240 nan 0.000 0.457 237 V N 2.805 122.771 119.914 0.086 0.000 2.435 237 V HA 0.800 4.920 4.120 0.000 0.000 0.290 237 V C 0.176 176.338 176.094 0.114 0.000 1.030 237 V CA -1.028 61.334 62.300 0.104 0.000 0.881 237 V CB 1.513 33.423 31.823 0.146 0.000 0.983 237 V HN 0.987 nan 8.190 nan 0.000 0.445 238 A N 3.223 126.085 122.820 0.071 0.000 2.303 238 A HA 0.807 5.127 4.320 0.000 0.000 0.320 238 A C 0.193 177.813 177.584 0.060 0.000 1.192 238 A CA -0.398 51.665 52.037 0.043 0.000 0.821 238 A CB 1.091 20.102 19.000 0.018 0.000 1.188 238 A HN 0.945 nan 8.150 nan 0.000 0.492 239 T N -0.176 114.417 114.554 0.065 0.000 2.925 239 T HA 0.887 5.237 4.350 0.000 0.000 0.285 239 T C 0.201 174.906 174.700 0.009 0.000 1.021 239 T CA -0.054 62.072 62.100 0.043 0.000 1.042 239 T CB 1.790 70.714 68.868 0.092 0.000 1.037 239 T HN 2.045 nan 8.240 nan 0.000 0.481 240 G N 0.619 109.417 108.800 -0.005 0.000 2.320 240 G HA2 0.471 4.431 3.960 0.000 0.000 0.296 240 G HA3 0.471 4.431 3.960 0.000 0.000 0.296 240 G C -1.811 173.099 174.900 0.016 0.000 1.306 240 G CA -1.085 44.021 45.100 0.011 0.000 0.836 240 G HN 0.796 nan 8.290 nan 0.000 0.517 241 R N 0.742 121.259 120.500 0.029 0.000 2.393 241 R HA 0.450 4.790 4.340 0.000 0.000 0.315 241 R C -0.182 176.132 176.300 0.023 0.000 0.952 241 R CA -0.729 55.398 56.100 0.045 0.000 0.842 241 R CB 0.640 30.985 30.300 0.075 0.000 1.163 241 R HN 0.515 nan 8.270 nan 0.000 0.450 242 I N 4.295 124.888 120.570 0.037 0.000 2.742 242 I HA -0.132 4.038 4.170 0.000 0.000 0.287 242 I C 1.409 177.529 176.117 0.005 0.000 1.186 242 I CA 0.281 61.600 61.300 0.032 0.000 1.417 242 I CB 0.673 38.750 38.000 0.130 0.000 1.377 242 I HN 0.694 nan 8.210 nan 0.000 0.556 243 E N 6.812 126.974 120.200 -0.063 0.000 2.051 243 E HA -0.055 4.296 4.350 0.000 0.000 0.189 243 E C 0.338 176.929 176.600 -0.014 0.000 0.979 243 E CA 1.228 57.602 56.400 -0.043 0.000 0.803 243 E CB 0.355 30.004 29.700 -0.086 0.000 0.761 243 E HN 0.716 nan 8.360 nan 0.000 0.451 244 R N -3.132 117.356 120.500 -0.021 0.000 2.716 244 R HA 0.560 4.900 4.340 0.000 0.000 0.271 244 R C 0.526 176.887 176.300 0.102 0.000 1.028 244 R CA -0.553 55.565 56.100 0.029 0.000 0.883 244 R CB 0.460 30.766 30.300 0.010 0.000 1.250 244 R HN 0.142 nan 8.270 nan 0.000 0.465 245 G N 1.030 109.893 108.800 0.106 0.000 2.566 245 G HA2 -0.277 3.683 3.960 0.000 0.000 0.280 245 G HA3 -0.277 3.683 3.960 0.000 0.000 0.280 245 G C -0.902 174.103 174.900 0.174 0.000 1.225 245 G CA 0.722 45.905 45.100 0.140 0.000 0.966 245 G HN 1.086 nan 8.290 nan 0.000 0.560 246 K N -2.155 118.347 120.400 0.170 0.000 2.670 246 K HA 0.722 5.042 4.320 0.000 0.000 0.289 246 K C -0.957 175.444 176.600 -0.333 0.000 1.045 246 K CA -0.479 55.816 56.287 0.013 0.000 0.834 246 K CB 1.663 34.148 32.500 -0.025 0.000 1.531 246 K HN 1.993 nan 8.250 nan 0.000 0.376 247 V N -2.163 117.534 119.914 -0.363 0.000 3.120 247 V HA 0.720 4.840 4.120 0.000 0.000 0.303 247 V C -1.741 174.197 176.094 -0.261 0.000 1.238 247 V CA -1.029 60.998 62.300 -0.455 0.000 1.008 247 V CB 1.854 33.213 31.823 -0.773 0.000 1.064 247 V HN 0.952 nan 8.190 nan 0.000 0.434 248 K N 1.339 121.606 120.400 -0.222 0.000 2.512 248 K HA 0.713 5.033 4.320 0.000 0.000 0.263 248 K C -0.613 175.904 176.600 -0.138 0.000 0.966 248 K CA -0.849 55.350 56.287 -0.148 0.000 0.851 248 K CB 1.856 34.290 32.500 -0.109 0.000 1.395 248 K HN 0.771 nan 8.250 nan 0.000 0.440 249 V N 0.959 120.811 119.914 -0.103 0.000 2.814 249 V HA 0.172 4.292 4.120 0.000 0.000 0.307 249 V C 1.646 177.695 176.094 -0.076 0.000 1.089 249 V CA 1.548 63.799 62.300 -0.082 0.000 1.212 249 V CB -0.435 31.351 31.823 -0.062 0.000 0.912 249 V HN 1.118 nan 8.190 nan 0.000 0.497 250 G N 2.453 111.213 108.800 -0.067 0.000 2.253 250 G HA2 -0.211 3.749 3.960 0.000 0.000 0.251 250 G HA3 -0.211 3.749 3.960 0.000 0.000 0.251 250 G C 0.045 174.904 174.900 -0.069 0.000 0.998 250 G CA 0.197 45.262 45.100 -0.058 0.000 0.621 250 G HN 0.721 nan 8.290 nan 0.000 0.524 251 D N 0.982 121.323 120.400 -0.098 0.000 2.368 251 D HA 0.388 5.028 4.640 0.000 0.000 0.240 251 D C 0.298 176.547 176.300 -0.083 0.000 1.169 251 D CA 0.330 54.267 54.000 -0.106 0.000 0.906 251 D CB 1.026 41.721 40.800 -0.174 0.000 1.187 251 D HN 0.504 nan 8.370 nan 0.000 0.435 252 E N 0.724 120.888 120.200 -0.060 0.000 2.187 252 E HA 0.415 4.765 4.350 0.000 0.000 0.268 252 E C -1.000 175.591 176.600 -0.015 0.000 0.896 252 E CA -0.758 55.622 56.400 -0.034 0.000 0.766 252 E CB 1.511 31.198 29.700 -0.022 0.000 1.142 252 E HN 0.253 nan 8.360 nan 0.000 0.408 253 V N 0.580 120.500 119.914 0.011 0.000 3.113 253 V HA 0.595 4.715 4.120 0.000 0.000 0.316 253 V C -0.378 175.751 176.094 0.057 0.000 1.125 253 V CA -1.002 61.340 62.300 0.071 0.000 1.026 253 V CB 1.766 33.686 31.823 0.163 0.000 1.080 253 V HN 0.746 nan 8.190 nan 0.000 0.444 254 E N 0.852 121.093 120.200 0.069 0.000 2.191 254 E HA 0.555 4.905 4.350 0.000 0.000 0.278 254 E C -1.081 175.527 176.600 0.013 0.000 0.972 254 E CA -0.739 55.676 56.400 0.025 0.000 0.804 254 E CB 1.733 31.437 29.700 0.007 0.000 1.110 254 E HN 0.689 nan 8.360 nan 0.000 0.394 255 I N 4.881 125.447 120.570 -0.006 0.000 2.282 255 I HA 0.160 4.330 4.170 0.000 0.000 0.290 255 I C -0.562 175.527 176.117 -0.047 0.000 1.090 255 I CA -0.485 60.802 61.300 -0.022 0.000 1.231 255 I CB 0.726 38.714 38.000 -0.020 0.000 1.434 255 I HN 0.183 nan 8.210 nan 0.000 0.487 256 V N 5.429 125.303 119.914 -0.066 0.000 2.612 256 V HA 0.814 4.934 4.120 0.000 0.000 0.301 256 V C 0.670 176.700 176.094 -0.106 0.000 1.046 256 V CA -0.198 62.047 62.300 -0.092 0.000 0.946 256 V CB 1.341 33.100 31.823 -0.107 0.000 1.003 256 V HN 1.009 nan 8.190 nan 0.000 0.459 257 G N 2.691 111.420 108.800 -0.119 0.000 2.781 257 G HA2 -0.065 3.895 3.960 0.000 0.000 0.683 257 G HA3 -0.065 3.895 3.960 0.000 0.000 0.683 257 G C -0.068 174.774 174.900 -0.095 0.000 1.390 257 G CA -0.416 44.609 45.100 -0.125 0.000 0.850 257 G HN 1.487 nan 8.290 nan 0.000 0.557 258 L N -2.266 118.902 121.223 -0.092 0.000 4.696 258 L HA -0.123 4.217 4.340 0.000 0.000 0.425 258 L C 0.960 177.794 176.870 -0.059 0.000 1.115 258 L CA 1.710 56.507 54.840 -0.071 0.000 0.996 258 L CB -1.883 40.138 42.059 -0.063 0.000 2.077 258 L HN 2.491 nan 8.230 nan 0.000 0.792 259 A N -2.381 120.402 122.820 -0.062 0.000 2.601 259 A HA 0.723 5.043 4.320 0.000 0.000 0.291 259 A C -1.841 175.712 177.584 -0.052 0.000 1.075 259 A CA -0.400 51.607 52.037 -0.051 0.000 0.671 259 A CB 0.933 19.905 19.000 -0.046 0.000 1.277 259 A HN -0.119 nan 8.150 nan 0.000 0.417 260 P HA -0.119 nan 4.420 nan 0.000 0.203 260 P C 0.033 177.306 177.300 -0.044 0.000 1.087 260 P CA 1.328 64.405 63.100 -0.039 0.000 0.952 260 P CB 0.084 31.765 31.700 -0.031 0.000 0.758 261 E N -0.567 119.609 120.200 -0.040 0.000 2.191 261 E HA 0.222 4.572 4.350 0.000 0.000 0.274 261 E C -0.148 176.425 176.600 -0.044 0.000 0.948 261 E CA -0.411 55.964 56.400 -0.042 0.000 0.802 261 E CB 1.382 31.062 29.700 -0.034 0.000 1.137 261 E HN 0.115 nan 8.360 nan 0.000 0.397 262 T N 1.131 115.654 114.554 -0.051 0.000 2.930 262 T HA 0.268 4.618 4.350 0.000 0.000 0.306 262 T C 0.361 175.039 174.700 -0.036 0.000 1.045 262 T CA -0.387 61.683 62.100 -0.050 0.000 1.134 262 T CB 0.798 69.631 68.868 -0.058 0.000 0.961 262 T HN 0.475 nan 8.240 nan 0.000 0.545 263 R N 1.963 122.444 120.500 -0.031 0.000 2.782 263 R HA 0.656 4.996 4.340 0.000 0.000 0.258 263 R C -0.756 175.535 176.300 -0.015 0.000 1.055 263 R CA -0.981 55.106 56.100 -0.022 0.000 1.065 263 R CB 1.119 31.407 30.300 -0.021 0.000 1.172 263 R HN 0.727 nan 8.270 nan 0.000 0.510 264 K N 0.568 120.962 120.400 -0.011 0.000 2.375 264 K HA 0.495 4.815 4.320 0.000 0.000 0.249 264 K C -1.445 175.153 176.600 -0.004 0.000 0.942 264 K CA -0.795 55.489 56.287 -0.005 0.000 0.806 264 K CB 2.610 35.106 32.500 -0.007 0.000 1.227 264 K HN 0.795 nan 8.250 nan 0.000 0.430 265 T N -0.865 113.689 114.554 0.000 0.000 2.769 265 T HA 0.291 4.641 4.350 0.000 0.000 0.306 265 T C -1.107 173.588 174.700 -0.008 0.000 1.400 265 T CA -0.788 61.309 62.100 -0.004 0.000 1.007 265 T CB 1.410 70.279 68.868 0.001 0.000 1.392 265 T HN 0.178 nan 8.240 nan 0.000 0.500 266 V N 1.728 121.632 119.914 -0.016 0.000 2.398 266 V HA 0.576 4.697 4.120 0.000 0.000 0.286 266 V C 0.448 176.522 176.094 -0.033 0.000 1.026 266 V CA -0.864 61.419 62.300 -0.028 0.000 0.868 266 V CB 1.516 33.322 31.823 -0.028 0.000 0.982 266 V HN 0.820 nan 8.190 nan 0.000 0.443 267 V N 4.874 124.756 119.914 -0.053 0.000 2.637 267 V HA 0.398 4.518 4.120 0.000 0.000 0.296 267 V C 1.044 177.106 176.094 -0.054 0.000 1.046 267 V CA 1.212 63.478 62.300 -0.058 0.000 1.066 267 V CB 1.573 33.343 31.823 -0.089 0.000 0.968 267 V HN 1.146 nan 8.190 nan 0.000 0.483 268 T N 2.067 116.596 114.554 -0.042 0.000 3.209 268 T HA 0.553 4.904 4.350 0.000 0.000 0.295 268 T C 0.292 174.970 174.700 -0.036 0.000 0.977 268 T CA 0.287 62.365 62.100 -0.037 0.000 0.922 268 T CB -0.364 68.489 68.868 -0.026 0.000 1.152 268 T HN 1.559 nan 8.240 nan 0.000 0.527 269 G N 0.298 109.072 108.800 -0.043 0.000 2.733 269 G HA2 0.549 4.509 3.960 0.000 0.000 0.297 269 G HA3 0.549 4.509 3.960 0.000 0.000 0.297 269 G C -2.006 172.861 174.900 -0.056 0.000 1.452 269 G CA -0.577 44.498 45.100 -0.043 0.000 0.940 269 G HN 0.389 nan 8.290 nan 0.000 0.547 270 V N 1.341 121.216 119.914 -0.065 0.000 2.655 270 V HA 0.589 4.709 4.120 0.000 0.000 0.301 270 V C -0.461 175.576 176.094 -0.094 0.000 1.082 270 V CA -0.703 61.545 62.300 -0.086 0.000 0.899 270 V CB 1.606 33.365 31.823 -0.106 0.000 1.014 270 V HN 0.850 nan 8.190 nan 0.000 0.429 271 E N 3.467 123.601 120.200 -0.110 0.000 2.392 271 E HA 0.719 5.069 4.350 0.000 0.000 0.269 271 E C -1.192 175.293 176.600 -0.193 0.000 0.924 271 E CA -1.017 55.312 56.400 -0.119 0.000 0.784 271 E CB 3.187 32.841 29.700 -0.077 0.000 1.292 271 E HN 0.603 nan 8.360 nan 0.000 0.447 272 M N 2.144 121.618 119.600 -0.211 0.000 2.122 272 M HA 0.230 4.710 4.480 0.000 0.000 0.269 272 M C -1.523 174.820 176.300 0.071 0.000 0.954 272 M CA -0.245 54.888 55.300 -0.278 0.000 0.998 272 M CB 0.883 33.028 32.600 -0.758 0.000 1.755 272 M HN 0.574 nan 8.290 nan 0.000 0.459 273 H N 4.552 123.637 119.070 0.025 0.000 2.673 273 H HA -0.152 4.404 4.556 0.000 0.000 0.318 273 H C 0.120 175.494 175.328 0.076 0.000 0.998 273 H CA 1.245 57.343 56.048 0.083 0.000 1.045 273 H CB -0.781 29.102 29.762 0.202 0.000 1.623 273 H HN 0.913 nan 8.280 nan 0.000 0.359 274 R N -0.535 120.004 120.500 0.065 0.000 3.804 274 R HA -0.234 4.106 4.340 0.000 0.000 0.286 274 R C -0.252 176.098 176.300 0.083 0.000 1.192 274 R CA 1.583 57.708 56.100 0.043 0.000 0.801 274 R CB -0.672 29.652 30.300 0.040 0.000 1.180 274 R HN 0.469 nan 8.270 nan 0.000 0.509 275 K N 0.079 120.556 120.400 0.129 0.000 2.426 275 K HA 0.253 4.573 4.320 0.000 0.000 0.254 275 K C -0.232 176.439 176.600 0.118 0.000 0.936 275 K CA -0.637 55.759 56.287 0.182 0.000 0.801 275 K CB 1.992 34.757 32.500 0.442 0.000 1.139 275 K HN -0.125 nan 8.250 nan 0.000 0.424 276 T N 2.540 117.141 114.554 0.078 0.000 2.939 276 T HA 0.001 4.352 4.350 0.000 0.000 0.312 276 T C -0.342 174.373 174.700 0.026 0.000 1.064 276 T CA 0.307 62.425 62.100 0.030 0.000 1.136 276 T CB 0.109 68.990 68.868 0.023 0.000 1.035 276 T HN 0.234 nan 8.240 nan 0.000 0.538 277 L N 2.830 124.027 121.223 -0.044 0.000 2.408 277 L HA 0.350 4.690 4.340 0.000 0.000 0.268 277 L C 0.888 177.718 176.870 -0.066 0.000 0.986 277 L CA -0.428 54.362 54.840 -0.083 0.000 0.820 277 L CB 2.071 44.014 42.059 -0.192 0.000 1.303 277 L HN 0.464 nan 8.230 nan 0.000 0.411 278 Q N 1.643 121.412 119.800 -0.052 0.000 1.965 278 Q HA -0.039 4.301 4.340 0.000 0.000 0.200 278 Q C -0.049 175.907 176.000 -0.074 0.000 0.981 278 Q CA 1.369 57.142 55.803 -0.049 0.000 0.834 278 Q CB 0.110 28.826 28.738 -0.036 0.000 0.900 278 Q HN 0.696 nan 8.270 nan 0.000 0.426 279 E N -0.623 119.527 120.200 -0.084 0.000 2.275 279 E HA 0.493 4.843 4.350 0.000 0.000 0.270 279 E C -0.982 175.549 176.600 -0.115 0.000 0.882 279 E CA -0.428 55.910 56.400 -0.103 0.000 0.758 279 E CB 1.531 31.180 29.700 -0.085 0.000 1.195 279 E HN 0.177 nan 8.360 nan 0.000 0.419 280 G N 4.198 112.918 108.800 -0.133 0.000 2.395 280 G HA2 0.539 4.499 3.960 0.000 0.000 0.283 280 G HA3 0.539 4.499 3.960 0.000 0.000 0.283 280 G C -0.004 174.850 174.900 -0.076 0.000 1.178 280 G CA -0.535 44.487 45.100 -0.129 0.000 0.837 280 G HN 0.575 nan 8.290 nan 0.000 0.518 281 I N -0.693 119.842 120.570 -0.058 0.000 3.206 281 I HA 0.777 4.947 4.170 0.000 0.000 0.313 281 I C 0.655 176.793 176.117 0.034 0.000 1.103 281 I CA -1.694 59.606 61.300 0.001 0.000 0.985 281 I CB 1.950 39.947 38.000 -0.005 0.000 1.240 281 I HN 0.563 nan 8.210 nan 0.000 0.464 282 A N 2.041 124.901 122.820 0.067 0.000 2.540 282 A HA 0.372 4.692 4.320 0.000 0.000 0.268 282 A C 1.208 178.830 177.584 0.064 0.000 1.061 282 A CA 0.999 53.079 52.037 0.070 0.000 0.821 282 A CB -1.676 17.362 19.000 0.064 0.000 0.970 282 A HN 1.801 nan 8.150 nan 0.000 0.524 283 G N 2.126 110.970 108.800 0.073 0.000 2.229 283 G HA2 -0.137 3.823 3.960 0.000 0.000 0.189 283 G HA3 -0.137 3.823 3.960 0.000 0.000 0.189 283 G C -0.228 174.732 174.900 0.101 0.000 1.000 283 G CA 0.038 45.213 45.100 0.124 0.000 0.663 283 G HN 0.734 nan 8.290 nan 0.000 0.493 284 D N 0.587 120.981 120.400 -0.010 0.000 2.304 284 D HA 0.236 4.876 4.640 0.000 0.000 0.250 284 D C 0.000 176.268 176.300 -0.053 0.000 1.107 284 D CA -0.100 53.817 54.000 -0.140 0.000 0.885 284 D CB 1.197 41.860 40.800 -0.229 0.000 1.192 284 D HN 0.305 nan 8.370 nan 0.000 0.436 285 N N 2.040 120.712 118.700 -0.047 0.000 2.602 285 N HA 0.218 4.958 4.740 0.000 0.000 0.238 285 N C -0.202 175.220 175.510 -0.147 0.000 1.084 285 N CA -0.533 52.508 53.050 -0.015 0.000 0.952 285 N CB 0.474 39.007 38.487 0.078 0.000 1.244 285 N HN 0.226 nan 8.380 nan 0.000 0.512 286 V N 0.720 120.564 119.914 -0.118 0.000 3.369 286 V HA 0.942 5.062 4.120 0.000 0.000 0.301 286 V C 0.404 176.435 176.094 -0.105 0.000 1.184 286 V CA -0.693 61.522 62.300 -0.142 0.000 1.013 286 V CB 1.364 33.123 31.823 -0.108 0.000 1.230 286 V HN 0.419 nan 8.190 nan 0.000 0.464 287 G N 0.964 109.712 108.800 -0.086 0.000 2.744 287 G HA2 0.622 4.582 3.960 0.000 0.000 0.286 287 G HA3 0.622 4.582 3.960 0.000 0.000 0.286 287 G C -1.330 173.556 174.900 -0.023 0.000 1.497 287 G CA -0.696 44.380 45.100 -0.039 0.000 1.070 287 G HN 0.784 nan 8.290 nan 0.000 0.539 288 L N 2.476 123.705 121.223 0.011 0.000 2.317 288 L HA 0.501 4.841 4.340 0.000 0.000 0.281 288 L C -0.436 176.440 176.870 0.010 0.000 1.024 288 L CA -1.088 53.754 54.840 0.003 0.000 0.810 288 L CB 1.916 43.989 42.059 0.024 0.000 1.240 288 L HN 0.283 nan 8.230 nan 0.000 0.427 289 L N 4.145 125.364 121.223 -0.006 0.000 2.326 289 L HA 0.481 4.821 4.340 0.000 0.000 0.278 289 L C -0.527 176.341 176.870 -0.003 0.000 1.092 289 L CA 0.045 54.885 54.840 -0.000 0.000 0.810 289 L CB 1.121 43.175 42.059 -0.009 0.000 1.153 289 L HN 0.375 nan 8.230 nan 0.000 0.439 290 L N 4.842 126.067 121.223 0.004 0.000 2.349 290 L HA 0.527 4.867 4.340 0.000 0.000 0.278 290 L C 0.263 177.131 176.870 -0.003 0.000 0.996 290 L CA -0.776 54.065 54.840 0.001 0.000 0.825 290 L CB 1.417 43.481 42.059 0.008 0.000 1.243 290 L HN 0.495 nan 8.230 nan 0.000 0.412 291 R N 2.732 123.227 120.500 -0.008 0.000 2.633 291 R HA 0.145 4.485 4.340 0.000 0.000 0.357 291 R C 0.818 177.114 176.300 -0.007 0.000 0.923 291 R CA 0.970 57.065 56.100 -0.009 0.000 1.046 291 R CB -0.235 30.057 30.300 -0.013 0.000 0.924 291 R HN 0.962 nan 8.270 nan 0.000 0.413 292 G N 2.829 111.626 108.800 -0.005 0.000 2.351 292 G HA2 -0.231 3.729 3.960 0.000 0.000 0.297 292 G HA3 -0.231 3.729 3.960 0.000 0.000 0.297 292 G C -0.323 174.574 174.900 -0.005 0.000 1.054 292 G CA 0.277 45.374 45.100 -0.005 0.000 1.123 292 G HN 0.691 nan 8.290 nan 0.000 0.512 293 V N -1.918 117.994 119.914 -0.004 0.000 2.638 293 V HA 0.941 5.061 4.120 0.000 0.000 0.306 293 V C 0.354 176.445 176.094 -0.005 0.000 1.052 293 V CA -0.132 62.164 62.300 -0.006 0.000 0.885 293 V CB 1.608 33.427 31.823 -0.006 0.000 0.999 293 V HN 1.297 nan 8.190 nan 0.000 0.424 294 S N 4.237 119.933 115.700 -0.007 0.000 2.681 294 S HA 0.492 4.962 4.470 0.000 0.000 0.270 294 S C 0.972 175.565 174.600 -0.011 0.000 1.209 294 S CA -0.380 57.816 58.200 -0.007 0.000 0.988 294 S CB 1.411 64.606 63.200 -0.008 0.000 1.006 294 S HN 0.910 nan 8.310 nan 0.000 0.558 295 R N 0.858 121.350 120.500 -0.012 0.000 2.083 295 R HA -0.130 4.210 4.340 0.000 0.000 0.237 295 R C 1.999 178.281 176.300 -0.029 0.000 1.137 295 R CA 1.937 58.023 56.100 -0.024 0.000 0.951 295 R CB -0.581 29.704 30.300 -0.024 0.000 0.851 295 R HN 0.811 nan 8.270 nan 0.000 0.434 296 E N 0.074 120.260 120.200 -0.024 0.000 2.273 296 E HA -0.224 4.126 4.350 0.000 0.000 0.198 296 E C 1.101 177.686 176.600 -0.026 0.000 1.002 296 E CA 1.345 57.730 56.400 -0.025 0.000 0.828 296 E CB -0.054 29.635 29.700 -0.019 0.000 0.747 296 E HN 0.624 nan 8.360 nan 0.000 0.491 297 E N 0.255 120.441 120.200 -0.024 0.000 2.474 297 E HA 0.085 4.435 4.350 0.000 0.000 0.195 297 E C -0.165 176.418 176.600 -0.028 0.000 1.039 297 E CA -0.005 56.380 56.400 -0.024 0.000 0.881 297 E CB 0.841 30.529 29.700 -0.020 0.000 0.970 297 E HN -0.045 nan 8.360 nan 0.000 0.486 298 V N 1.315 121.209 119.914 -0.033 0.000 2.760 298 V HA 0.451 4.571 4.120 0.000 0.000 0.309 298 V C -0.541 175.522 176.094 -0.052 0.000 1.077 298 V CA -1.103 61.174 62.300 -0.037 0.000 0.910 298 V CB 1.742 33.547 31.823 -0.031 0.000 1.008 298 V HN 0.231 nan 8.190 nan 0.000 0.424 299 E N 2.513 122.679 120.200 -0.055 0.000 2.430 299 E HA 0.514 4.864 4.350 0.000 0.000 0.279 299 E C -0.974 175.588 176.600 -0.064 0.000 1.003 299 E CA -1.205 55.156 56.400 -0.066 0.000 0.801 299 E CB 2.179 31.844 29.700 -0.059 0.000 1.313 299 E HN 0.554 nan 8.360 nan 0.000 0.459 300 R N 0.088 120.546 120.500 -0.070 0.000 2.538 300 R HA 0.235 4.575 4.340 0.000 0.000 0.282 300 R C 0.645 176.919 176.300 -0.042 0.000 1.009 300 R CA 1.974 58.041 56.100 -0.056 0.000 1.063 300 R CB -0.042 30.225 30.300 -0.054 0.000 0.945 300 R HN 0.934 nan 8.270 nan 0.000 0.414 301 G N 2.664 111.445 108.800 -0.033 0.000 2.307 301 G HA2 -0.260 3.700 3.960 0.000 0.000 0.210 301 G HA3 -0.260 3.700 3.960 0.000 0.000 0.210 301 G C -0.169 174.702 174.900 -0.048 0.000 1.005 301 G CA 0.182 45.265 45.100 -0.028 0.000 0.634 301 G HN 0.670 nan 8.290 nan 0.000 0.496 302 Q N 0.227 119.994 119.800 -0.056 0.000 2.316 302 Q HA 0.778 5.118 4.340 0.000 0.000 0.215 302 Q C -0.414 175.541 176.000 -0.076 0.000 1.020 302 Q CA -0.671 55.091 55.803 -0.069 0.000 0.970 302 Q CB 2.139 30.837 28.738 -0.066 0.000 1.187 302 Q HN 0.319 nan 8.270 nan 0.000 0.546 303 V N 0.759 120.618 119.914 -0.091 0.000 2.962 303 V HA 0.442 4.562 4.120 0.000 0.000 0.313 303 V C -0.745 175.285 176.094 -0.107 0.000 1.099 303 V CA -0.940 61.292 62.300 -0.114 0.000 0.971 303 V CB 2.134 33.875 31.823 -0.136 0.000 1.028 303 V HN 0.584 nan 8.190 nan 0.000 0.430 304 L N 3.280 124.417 121.223 -0.144 0.000 2.329 304 L HA 0.940 5.280 4.340 0.000 0.000 0.279 304 L C 0.016 176.765 176.870 -0.203 0.000 1.014 304 L CA -0.290 54.512 54.840 -0.062 0.000 0.814 304 L CB 1.588 43.698 42.059 0.085 0.000 1.257 304 L HN 0.832 nan 8.230 nan 0.000 0.424 305 A N 2.908 125.736 122.820 0.014 0.000 2.557 305 A HA 0.457 4.777 4.320 0.000 0.000 0.292 305 A C -1.270 176.439 177.584 0.208 0.000 1.139 305 A CA -0.762 51.300 52.037 0.041 0.000 0.665 305 A CB 1.506 20.456 19.000 -0.083 0.000 1.285 305 A HN 0.620 nan 8.150 nan 0.000 0.433 306 K N 0.635 121.146 120.400 0.186 0.000 2.416 306 K HA 0.330 4.650 4.320 0.000 0.000 0.283 306 K C -2.478 174.158 176.600 0.061 0.000 1.037 306 K CA -1.306 55.061 56.287 0.133 0.000 0.995 306 K CB 0.217 32.779 32.500 0.104 0.000 0.938 306 K HN 0.247 nan 8.250 nan 0.000 0.475 307 P HA -0.061 nan 4.420 nan 0.000 0.262 307 P C 0.018 177.322 177.300 0.007 0.000 1.182 307 P CA 1.089 64.200 63.100 0.018 0.000 0.761 307 P CB 0.624 32.331 31.700 0.013 0.000 0.795 308 G N 2.984 111.781 108.800 -0.006 0.000 2.212 308 G HA2 -0.335 3.625 3.960 0.000 0.000 0.267 308 G HA3 -0.335 3.625 3.960 0.000 0.000 0.267 308 G C 1.072 175.965 174.900 -0.012 0.000 1.002 308 G CA 0.813 45.905 45.100 -0.013 0.000 0.729 308 G HN 0.581 nan 8.290 nan 0.000 0.517 309 S N -1.486 114.209 115.700 -0.009 0.000 2.470 309 S HA 0.514 4.984 4.470 0.000 0.000 0.225 309 S C 0.846 175.430 174.600 -0.026 0.000 1.006 309 S CA 0.688 58.883 58.200 -0.008 0.000 0.934 309 S CB 0.634 63.838 63.200 0.005 0.000 0.778 309 S HN 0.595 nan 8.310 nan 0.000 0.517 310 I N 1.681 122.223 120.570 -0.047 0.000 2.802 310 I HA 0.311 4.481 4.170 0.000 0.000 0.298 310 I C -1.151 174.894 176.117 -0.120 0.000 1.176 310 I CA -0.765 60.490 61.300 -0.075 0.000 1.025 310 I CB 2.587 40.528 38.000 -0.097 0.000 1.243 310 I HN 0.068 nan 8.210 nan 0.000 0.424 311 T N 3.229 117.686 114.554 -0.161 0.000 2.758 311 T HA 0.504 4.854 4.350 0.000 0.000 0.285 311 T C -2.642 171.606 174.700 -0.752 0.000 0.981 311 T CA -1.963 59.930 62.100 -0.345 0.000 0.965 311 T CB 1.099 69.830 68.868 -0.228 0.000 0.927 311 T HN 0.179 nan 8.240 nan 0.000 0.448 312 P HA 0.343 nan 4.420 nan 0.000 0.272 312 P C -0.604 176.215 177.300 -0.803 0.000 1.230 312 P CA -0.216 62.565 63.100 -0.533 0.000 0.788 312 P CB 0.583 32.113 31.700 -0.283 0.000 0.949 313 H N -0.891 118.089 119.070 -0.151 0.000 2.966 313 H HA 0.402 4.958 4.556 0.000 0.000 0.330 313 H C 0.650 175.912 175.328 -0.109 0.000 1.292 313 H CA -0.257 55.717 56.048 -0.124 0.000 1.127 313 H CB 1.678 31.355 29.762 -0.142 0.000 1.863 313 H HN 0.423 nan 8.280 nan 0.000 0.543 314 T N -2.845 111.783 114.554 0.123 0.000 3.048 314 T HA 0.322 4.672 4.350 0.000 0.000 0.254 314 T C 0.263 175.018 174.700 0.092 0.000 0.942 314 T CA -0.091 62.044 62.100 0.059 0.000 0.931 314 T CB 1.056 69.930 68.868 0.010 0.000 1.220 314 T HN 0.234 nan 8.240 nan 0.000 0.503 315 K N 1.159 121.618 120.400 0.099 0.000 2.328 315 K HA 0.729 5.049 4.320 0.000 0.000 0.246 315 K C -1.602 175.112 176.600 0.189 0.000 0.955 315 K CA -1.021 55.295 56.287 0.048 0.000 0.817 315 K CB 2.220 34.707 32.500 -0.023 0.000 1.208 315 K HN 0.401 nan 8.250 nan 0.000 0.432 316 F N -1.888 118.003 119.950 -0.099 0.000 2.725 316 F HA 0.323 4.850 4.527 0.000 0.000 0.311 316 F C -1.050 174.733 175.800 -0.028 0.000 1.121 316 F CA -1.192 56.758 58.000 -0.083 0.000 0.978 316 F CB 0.877 39.813 39.000 -0.108 0.000 1.274 316 F HN 0.385 nan 8.300 nan 0.000 0.440 317 E N 1.406 121.681 120.200 0.125 0.000 2.301 317 E HA 0.761 5.111 4.350 0.000 0.000 0.275 317 E C -0.954 175.770 176.600 0.206 0.000 1.030 317 E CA -0.551 55.891 56.400 0.069 0.000 0.852 317 E CB 1.467 31.212 29.700 0.075 0.000 1.060 317 E HN 1.008 nan 8.360 nan 0.000 0.401 318 A N 2.437 125.327 122.820 0.116 0.000 2.547 318 A HA 0.394 4.714 4.320 0.000 0.000 0.297 318 A C -0.992 176.613 177.584 0.034 0.000 1.056 318 A CA -0.669 51.514 52.037 0.243 0.000 0.688 318 A CB 1.755 21.120 19.000 0.609 0.000 1.282 318 A HN 0.485 nan 8.150 nan 0.000 0.400 319 S N 1.741 117.488 115.700 0.078 0.000 2.416 319 S HA 0.544 5.014 4.470 0.000 0.000 0.287 319 S C -0.191 174.397 174.600 -0.020 0.000 1.139 319 S CA -0.343 57.858 58.200 0.002 0.000 1.058 319 S CB -0.493 62.726 63.200 0.032 0.000 0.967 319 S HN 1.127 nan 8.310 nan 0.000 0.495 320 V N 4.987 124.843 119.914 -0.096 0.000 2.732 320 V HA 0.524 4.644 4.120 0.000 0.000 0.310 320 V C -0.854 175.306 176.094 0.111 0.000 1.053 320 V CA -1.023 61.264 62.300 -0.022 0.000 0.957 320 V CB 1.343 33.128 31.823 -0.064 0.000 1.018 320 V HN 0.858 nan 8.190 nan 0.000 0.452 321 Y N 3.809 124.123 120.300 0.023 0.000 2.363 321 Y HA 0.598 5.148 4.550 0.000 0.000 0.325 321 Y C -0.618 175.333 175.900 0.086 0.000 0.984 321 Y CA -1.111 57.020 58.100 0.051 0.000 1.248 321 Y CB 0.894 39.367 38.460 0.023 0.000 1.116 321 Y HN 0.463 nan 8.280 nan 0.000 0.470 322 I N 7.007 127.181 120.570 -0.661 0.000 2.441 322 I HA 0.156 4.326 4.170 0.000 0.000 0.287 322 I C 0.386 175.944 176.117 -0.932 0.000 1.049 322 I CA -0.390 60.616 61.300 -0.491 0.000 1.381 322 I CB 0.686 38.572 38.000 -0.189 0.000 1.409 322 I HN 0.616 nan 8.210 nan 0.000 0.523 323 L N 5.578 126.559 121.223 -0.404 0.000 2.476 323 L HA 0.239 4.580 4.340 0.000 0.000 0.255 323 L C 0.729 177.568 176.870 -0.051 0.000 1.218 323 L CA -0.517 54.251 54.840 -0.119 0.000 0.819 323 L CB 0.136 42.244 42.059 0.081 0.000 1.119 323 L HN 0.532 nan 8.230 nan 0.000 0.485 324 K N 0.378 120.824 120.400 0.076 0.000 2.098 324 K HA 0.157 4.477 4.320 0.000 0.000 0.258 324 K C 0.657 177.301 176.600 0.073 0.000 0.973 324 K CA -0.648 55.678 56.287 0.066 0.000 0.898 324 K CB 1.810 34.368 32.500 0.096 0.000 1.057 324 K HN 0.383 nan 8.250 nan 0.000 0.447 325 K N 2.079 122.521 120.400 0.070 0.000 2.059 325 K HA -0.301 4.020 4.320 0.000 0.000 0.212 325 K C 1.761 178.405 176.600 0.074 0.000 1.050 325 K CA 2.087 58.428 56.287 0.091 0.000 0.927 325 K CB 0.077 32.633 32.500 0.093 0.000 0.714 325 K HN 0.683 nan 8.250 nan 0.000 0.447 326 E N 0.664 120.903 120.200 0.065 0.000 2.118 326 E HA -0.220 4.130 4.350 0.000 0.000 0.195 326 E C 0.938 177.585 176.600 0.078 0.000 0.992 326 E CA 1.428 57.863 56.400 0.058 0.000 0.804 326 E CB 0.018 29.750 29.700 0.052 0.000 0.741 326 E HN 0.451 nan 8.360 nan 0.000 0.458 327 E N -1.013 119.251 120.200 0.107 0.000 2.463 327 E HA 0.050 4.400 4.350 0.000 0.000 0.191 327 E C 0.808 177.477 176.600 0.115 0.000 1.083 327 E CA 0.282 56.772 56.400 0.150 0.000 0.872 327 E CB 0.303 30.139 29.700 0.226 0.000 0.966 327 E HN 0.551 nan 8.360 nan 0.000 0.491 328 G N 0.704 109.553 108.800 0.081 0.000 2.195 328 G HA2 -0.273 3.687 3.960 0.000 0.000 0.246 328 G HA3 -0.273 3.687 3.960 0.000 0.000 0.246 328 G C 0.672 175.605 174.900 0.054 0.000 0.984 328 G CA -0.134 45.001 45.100 0.059 0.000 0.633 328 G HN 0.519 nan 8.290 nan 0.000 0.525 329 G N -0.277 108.560 108.800 0.061 0.000 2.514 329 G HA2 0.510 4.470 3.960 0.000 0.000 0.245 329 G HA3 0.510 4.470 3.960 0.000 0.000 0.245 329 G C 0.445 175.372 174.900 0.045 0.000 1.488 329 G CA -0.130 44.996 45.100 0.044 0.000 1.063 329 G HN 0.543 nan 8.290 nan 0.000 0.557 330 R N -1.124 119.382 120.500 0.010 0.000 2.707 330 R HA 0.311 4.651 4.340 0.000 0.000 0.270 330 R C 0.084 176.362 176.300 -0.037 0.000 1.083 330 R CA 0.124 56.181 56.100 -0.071 0.000 1.182 330 R CB 0.317 30.572 30.300 -0.076 0.000 1.084 330 R HN 0.834 nan 8.270 nan 0.000 0.528 331 H N -2.628 116.426 119.070 -0.028 0.000 2.665 331 H HA 0.289 4.845 4.556 0.000 0.000 0.248 331 H C -0.974 174.321 175.328 -0.055 0.000 1.175 331 H CA -0.605 55.422 56.048 -0.034 0.000 0.952 331 H CB 0.354 30.102 29.762 -0.023 0.000 1.883 331 H HN 0.534 nan 8.280 nan 0.000 0.623 332 T N -3.214 111.220 114.554 -0.200 0.000 2.843 332 T HA 0.653 5.003 4.350 0.000 0.000 0.302 332 T C 0.609 175.159 174.700 -0.250 0.000 1.232 332 T CA -0.582 61.408 62.100 -0.185 0.000 1.009 332 T CB 1.754 70.466 68.868 -0.260 0.000 1.254 332 T HN 0.350 nan 8.240 nan 0.000 0.504 333 G N 0.076 108.691 108.800 -0.309 0.000 2.494 333 G HA2 0.728 4.688 3.960 0.000 0.000 0.270 333 G HA3 0.728 4.688 3.960 0.000 0.000 0.270 333 G C -0.858 173.647 174.900 -0.657 0.000 1.423 333 G CA -0.679 44.118 45.100 -0.505 0.000 1.055 333 G HN 1.176 nan 8.290 nan 0.000 0.536 334 F N -3.420 116.049 119.950 -0.801 0.000 2.773 334 F HA 0.763 5.290 4.527 0.000 0.000 0.314 334 F C -1.787 173.419 175.800 -0.990 0.000 1.160 334 F CA -2.388 54.957 58.000 -1.093 0.000 0.920 334 F CB 0.835 39.200 39.000 -1.059 0.000 1.323 334 F HN 0.426 nan 8.300 nan 0.000 0.457 335 F N -1.382 118.687 119.950 0.198 0.000 2.726 335 F HA 0.676 5.203 4.527 0.000 0.000 0.324 335 F C 0.240 176.143 175.800 0.173 0.000 1.140 335 F CA -1.700 56.369 58.000 0.116 0.000 0.964 335 F CB 0.677 39.689 39.000 0.020 0.000 1.399 335 F HN 0.575 nan 8.300 nan 0.000 0.491 336 T N 1.071 115.818 114.554 0.323 0.000 2.891 336 T HA 0.359 4.709 4.350 0.000 0.000 0.296 336 T C 0.854 175.670 174.700 0.195 0.000 1.025 336 T CA 2.009 64.216 62.100 0.179 0.000 1.149 336 T CB -0.223 68.715 68.868 0.117 0.000 1.007 336 T HN 1.153 nan 8.240 nan 0.000 0.528 337 G N 2.836 111.723 108.800 0.146 0.000 2.231 337 G HA2 -0.226 3.734 3.960 0.000 0.000 0.206 337 G HA3 -0.226 3.734 3.960 0.000 0.000 0.206 337 G C -0.035 174.964 174.900 0.166 0.000 0.996 337 G CA -0.386 44.792 45.100 0.130 0.000 0.645 337 G HN 0.740 nan 8.290 nan 0.000 0.498 338 Y N 3.621 123.912 120.300 -0.014 0.000 2.650 338 Y HA 0.445 4.995 4.550 0.000 0.000 0.331 338 Y C 0.995 176.817 175.900 -0.130 0.000 1.165 338 Y CA -0.462 57.554 58.100 -0.139 0.000 1.473 338 Y CB 0.218 38.429 38.460 -0.414 0.000 1.224 338 Y HN 0.500 nan 8.280 nan 0.000 0.533 339 R N 8.184 128.622 120.500 -0.105 0.000 2.513 339 R HA 0.502 4.842 4.340 0.000 0.000 0.283 339 R C -3.298 172.805 176.300 -0.328 0.000 1.535 339 R CA -1.669 54.279 56.100 -0.254 0.000 1.315 339 R CB 1.255 31.520 30.300 -0.057 0.000 1.163 339 R HN 0.302 nan 8.270 nan 0.000 0.573 340 P HA 0.276 nan 4.420 nan 0.000 0.287 340 P C -1.085 176.128 177.300 -0.144 0.000 1.296 340 P CA -0.684 62.124 63.100 -0.487 0.000 0.811 340 P CB 0.975 32.142 31.700 -0.888 0.000 1.211 341 Q N -0.397 119.341 119.800 -0.103 0.000 2.241 341 Q HA 0.517 4.857 4.340 0.000 0.000 0.254 341 Q C -0.929 175.100 176.000 0.047 0.000 0.917 341 Q CA 0.149 55.986 55.803 0.057 0.000 0.919 341 Q CB 0.357 29.111 28.738 0.027 0.000 1.237 341 Q HN 0.259 nan 8.270 nan 0.000 0.434 342 F N 1.630 121.521 119.950 -0.098 0.000 2.443 342 F HA 0.422 4.949 4.527 0.000 0.000 0.335 342 F C -0.649 174.931 175.800 -0.367 0.000 1.104 342 F CA -1.113 56.807 58.000 -0.133 0.000 1.013 342 F CB 0.728 39.585 39.000 -0.237 0.000 1.136 342 F HN 0.386 nan 8.300 nan 0.000 0.470 343 Y N 2.858 123.062 120.300 -0.159 0.000 2.334 343 Y HA 0.574 5.124 4.550 0.000 0.000 0.336 343 Y C -1.027 174.738 175.900 -0.225 0.000 0.960 343 Y CA -1.312 56.734 58.100 -0.091 0.000 1.164 343 Y CB 0.949 39.392 38.460 -0.030 0.000 1.155 343 Y HN 0.331 nan 8.280 nan 0.000 0.478 344 F N 2.728 122.803 119.950 0.209 0.000 2.539 344 F HA 0.622 5.149 4.527 0.000 0.000 0.328 344 F C 0.515 176.372 175.800 0.096 0.000 1.148 344 F CA -1.553 56.539 58.000 0.153 0.000 0.940 344 F CB 1.501 40.527 39.000 0.043 0.000 1.194 344 F HN 0.503 nan 8.300 nan 0.000 0.438 345 R N -0.217 120.436 120.500 0.255 0.000 3.835 345 R HA -0.255 4.085 4.340 0.000 0.000 0.455 345 R C 1.409 177.799 176.300 0.150 0.000 0.241 345 R CA 2.006 58.200 56.100 0.157 0.000 1.439 345 R CB -1.462 28.905 30.300 0.112 0.000 0.987 345 R HN 0.790 nan 8.270 nan 0.000 0.570 346 T N -1.086 113.530 114.554 0.103 0.000 3.194 346 T HA 0.111 4.461 4.350 0.000 0.000 0.251 346 T C 0.422 175.169 174.700 0.078 0.000 1.132 346 T CA 0.782 62.932 62.100 0.083 0.000 1.028 346 T CB -0.234 68.658 68.868 0.040 0.000 0.976 346 T HN 0.459 nan 8.240 nan 0.000 0.535 347 T N 3.322 117.942 114.554 0.110 0.000 2.895 347 T HA 0.542 4.892 4.350 0.000 0.000 0.283 347 T C -0.952 173.780 174.700 0.053 0.000 1.014 347 T CA -0.988 61.157 62.100 0.076 0.000 1.037 347 T CB 1.638 70.556 68.868 0.084 0.000 1.006 347 T HN 0.515 nan 8.240 nan 0.000 0.468 348 D N 0.058 120.394 120.400 -0.108 0.000 2.896 348 D HA 0.507 5.147 4.640 0.000 0.000 0.241 348 D C -1.078 175.111 176.300 -0.186 0.000 1.188 348 D CA -0.776 52.968 54.000 -0.426 0.000 0.879 348 D CB 1.921 42.124 40.800 -0.995 0.000 1.553 348 D HN 0.445 nan 8.370 nan 0.000 0.515 349 V N -0.545 119.328 119.914 -0.068 0.000 2.932 349 V HA 0.438 4.558 4.120 0.000 0.000 0.307 349 V C 0.367 176.512 176.094 0.086 0.000 1.147 349 V CA -0.952 61.352 62.300 0.007 0.000 0.951 349 V CB 1.325 33.174 31.823 0.042 0.000 1.031 349 V HN 0.625 nan 8.190 nan 0.000 0.426 350 T N 2.768 117.349 114.554 0.046 0.000 2.940 350 T HA 0.564 4.914 4.350 0.000 0.000 0.309 350 T C 0.463 175.200 174.700 0.062 0.000 1.056 350 T CA 0.874 63.021 62.100 0.079 0.000 1.137 350 T CB 0.881 69.763 68.868 0.023 0.000 0.976 350 T HN 1.376 nan 8.240 nan 0.000 0.547 351 G N 0.776 109.643 108.800 0.111 0.000 2.718 351 G HA2 0.545 4.505 3.960 0.000 0.000 0.295 351 G HA3 0.545 4.505 3.960 0.000 0.000 0.295 351 G C -1.438 173.474 174.900 0.020 0.000 1.421 351 G CA -0.548 44.523 45.100 -0.048 0.000 0.902 351 G HN 0.670 nan 8.290 nan 0.000 0.501 352 V N 1.197 121.079 119.914 -0.053 0.000 2.407 352 V HA 0.400 4.520 4.120 0.000 0.000 0.278 352 V C 0.446 176.527 176.094 -0.022 0.000 1.037 352 V CA -0.480 61.803 62.300 -0.027 0.000 0.900 352 V CB 1.356 33.166 31.823 -0.023 0.000 0.983 352 V HN 0.582 nan 8.190 nan 0.000 0.459 353 V N 6.479 126.393 119.914 -0.001 0.000 2.785 353 V HA 0.552 4.672 4.120 0.000 0.000 0.300 353 V C 0.209 176.304 176.094 0.000 0.000 1.062 353 V CA -0.717 61.578 62.300 -0.009 0.000 1.029 353 V CB 1.272 33.013 31.823 -0.136 0.000 1.024 353 V HN 0.766 nan 8.190 nan 0.000 0.477 354 R N 3.593 124.105 120.500 0.021 0.000 2.575 354 R HA 0.422 4.762 4.340 0.000 0.000 0.292 354 R C -1.306 175.048 176.300 0.090 0.000 1.246 354 R CA -0.571 55.558 56.100 0.048 0.000 0.973 354 R CB 1.373 31.698 30.300 0.042 0.000 1.187 354 R HN 0.573 nan 8.270 nan 0.000 0.478 355 L N 3.977 125.232 121.223 0.054 0.000 2.467 355 L HA 0.257 4.597 4.340 0.000 0.000 0.270 355 L C -1.510 175.439 176.870 0.132 0.000 1.205 355 L CA -1.337 53.565 54.840 0.103 0.000 0.828 355 L CB -0.055 42.039 42.059 0.060 0.000 1.101 355 L HN 0.205 nan 8.230 nan 0.000 0.479 356 P HA -0.012 nan 4.420 nan 0.000 0.272 356 P C -0.883 176.467 177.300 0.083 0.000 1.230 356 P CA -0.454 62.721 63.100 0.124 0.000 0.788 356 P CB 0.487 32.269 31.700 0.136 0.000 0.949 357 Q N 0.234 120.071 119.800 0.062 0.000 2.395 357 Q HA 0.215 4.555 4.340 0.000 0.000 0.271 357 Q C 1.054 177.080 176.000 0.043 0.000 1.026 357 Q CA 1.170 56.999 55.803 0.043 0.000 0.900 357 Q CB -0.151 28.608 28.738 0.034 0.000 1.266 357 Q HN 0.861 nan 8.270 nan 0.000 0.430 358 G N 1.548 110.367 108.800 0.032 0.000 2.153 358 G HA2 -0.225 3.735 3.960 0.000 0.000 0.252 358 G HA3 -0.225 3.735 3.960 0.000 0.000 0.252 358 G C -0.402 174.520 174.900 0.036 0.000 0.994 358 G CA 0.182 45.300 45.100 0.029 0.000 0.698 358 G HN 0.508 nan 8.290 nan 0.000 0.521 359 V N -0.085 119.855 119.914 0.043 0.000 2.509 359 V HA 0.361 4.481 4.120 0.000 0.000 0.289 359 V C 0.706 176.830 176.094 0.050 0.000 1.026 359 V CA -0.309 62.022 62.300 0.050 0.000 0.872 359 V CB 1.513 33.381 31.823 0.075 0.000 1.017 359 V HN 0.336 nan 8.190 nan 0.000 0.436 360 E N 3.903 124.130 120.200 0.044 0.000 2.251 360 E HA 0.252 4.602 4.350 0.000 0.000 0.194 360 E C 0.424 177.136 176.600 0.188 0.000 0.964 360 E CA 0.605 57.041 56.400 0.060 0.000 0.868 360 E CB 0.889 30.594 29.700 0.008 0.000 0.828 360 E HN 0.733 nan 8.360 nan 0.000 0.481 361 M N -0.378 119.307 119.600 0.142 0.000 2.322 361 M HA 0.341 4.821 4.480 0.000 0.000 0.285 361 M C -1.858 174.334 176.300 -0.181 0.000 1.119 361 M CA -0.591 54.794 55.300 0.141 0.000 0.953 361 M CB 2.254 35.053 32.600 0.331 0.000 1.701 361 M HN -0.346 nan 8.290 nan 0.000 0.479 362 V N 5.177 124.773 119.914 -0.530 0.000 2.439 362 V HA 0.515 4.636 4.120 0.000 0.000 0.282 362 V C 0.124 175.831 176.094 -0.645 0.000 1.039 362 V CA -0.492 61.453 62.300 -0.592 0.000 0.913 362 V CB 1.680 33.043 31.823 -0.766 0.000 0.983 362 V HN 0.872 nan 8.190 nan 0.000 0.460 363 M N 5.756 125.146 119.600 -0.350 0.000 2.598 363 M HA 0.499 4.979 4.480 0.000 0.000 0.317 363 M C -2.620 173.557 176.300 -0.206 0.000 1.201 363 M CA -3.050 52.088 55.300 -0.270 0.000 0.971 363 M CB 0.837 33.347 32.600 -0.149 0.000 1.657 363 M HN 0.208 nan 8.290 nan 0.000 0.470 364 P HA 0.159 nan 4.420 nan 0.000 0.261 364 P C 0.838 178.084 177.300 -0.091 0.000 1.183 364 P CA 1.201 64.239 63.100 -0.105 0.000 0.761 364 P CB 0.301 31.973 31.700 -0.046 0.000 0.785 365 G N 2.473 111.181 108.800 -0.154 0.000 2.254 365 G HA2 -0.180 3.780 3.960 0.000 0.000 0.225 365 G HA3 -0.180 3.780 3.960 0.000 0.000 0.225 365 G C -0.074 174.802 174.900 -0.040 0.000 1.003 365 G CA -0.323 44.739 45.100 -0.065 0.000 0.622 365 G HN 0.497 nan 8.290 nan 0.000 0.507 366 D N 1.068 121.417 120.400 -0.085 0.000 2.362 366 D HA 0.343 4.983 4.640 0.000 0.000 0.242 366 D C 0.265 176.573 176.300 0.013 0.000 1.132 366 D CA -0.012 53.981 54.000 -0.013 0.000 0.907 366 D CB 0.339 41.122 40.800 -0.029 0.000 1.195 366 D HN 0.318 nan 8.370 nan 0.000 0.429 367 N N 0.886 119.655 118.700 0.115 0.000 2.699 367 N HA 0.190 4.930 4.740 0.000 0.000 0.232 367 N C -0.129 175.459 175.510 0.130 0.000 1.027 367 N CA -0.266 52.884 53.050 0.167 0.000 0.920 367 N CB 1.261 39.863 38.487 0.191 0.000 1.148 367 N HN 0.115 nan 8.380 nan 0.000 0.509 368 V N 0.876 120.891 119.914 0.169 0.000 4.175 368 V HA 0.578 4.698 4.120 0.000 0.000 0.272 368 V C 0.760 176.916 176.094 0.103 0.000 1.171 368 V CA -0.255 62.179 62.300 0.223 0.000 0.803 368 V CB 1.188 33.343 31.823 0.554 0.000 1.223 368 V HN 0.436 nan 8.190 nan 0.000 0.413 369 T N 0.909 115.524 114.554 0.102 0.000 3.559 369 T HA 0.580 4.930 4.350 0.000 0.000 0.391 369 T C -1.334 173.378 174.700 0.020 0.000 1.522 369 T CA -0.317 61.697 62.100 -0.143 0.000 1.159 369 T CB 0.862 69.738 68.868 0.014 0.000 1.384 369 T HN 0.778 nan 8.240 nan 0.000 0.475 370 F N -0.906 119.121 119.950 0.128 0.000 3.461 370 F HA 0.799 5.326 4.527 0.000 0.000 0.328 370 F C -0.548 175.265 175.800 0.022 0.000 1.160 370 F CA -1.157 56.895 58.000 0.086 0.000 0.879 370 F CB 0.458 39.531 39.000 0.122 0.000 1.559 370 F HN 0.332 nan 8.300 nan 0.000 0.510 371 T N 1.305 116.053 114.554 0.322 0.000 2.895 371 T HA 0.738 5.088 4.350 0.000 0.000 0.283 371 T C -1.002 173.638 174.700 -0.100 0.000 1.014 371 T CA -0.540 61.569 62.100 0.015 0.000 1.037 371 T CB 1.953 70.817 68.868 -0.007 0.000 1.006 371 T HN 0.547 nan 8.240 nan 0.000 0.468 372 V N 2.104 121.644 119.914 -0.623 0.000 2.769 372 V HA 0.577 4.697 4.120 0.000 0.000 0.312 372 V C -0.389 175.353 176.094 -0.586 0.000 1.061 372 V CA -0.826 61.038 62.300 -0.726 0.000 0.931 372 V CB 2.048 33.082 31.823 -1.315 0.000 1.010 372 V HN 0.897 nan 8.190 nan 0.000 0.433 373 E N 2.753 122.751 120.200 -0.336 0.000 2.325 373 E HA 0.513 4.863 4.350 0.000 0.000 0.248 373 E C -1.328 175.179 176.600 -0.155 0.000 0.912 373 E CA -0.472 55.818 56.400 -0.183 0.000 0.782 373 E CB 1.209 30.844 29.700 -0.109 0.000 1.264 373 E HN 0.602 nan 8.360 nan 0.000 0.417 374 L N 4.894 126.049 121.223 -0.114 0.000 2.439 374 L HA 0.216 4.556 4.340 0.000 0.000 0.269 374 L C 1.668 178.505 176.870 -0.056 0.000 1.179 374 L CA 0.051 54.837 54.840 -0.091 0.000 0.828 374 L CB 0.653 42.683 42.059 -0.049 0.000 1.106 374 L HN 0.724 nan 8.230 nan 0.000 0.467 375 I N -1.388 119.155 120.570 -0.045 0.000 3.444 375 I HA 0.079 4.249 4.170 0.000 0.000 0.287 375 I C 0.158 176.255 176.117 -0.033 0.000 1.302 375 I CA 0.731 62.012 61.300 -0.032 0.000 1.368 375 I CB -0.227 37.760 38.000 -0.022 0.000 1.048 375 I HN 0.483 nan 8.210 nan 0.000 0.487 376 K N 0.692 121.067 120.400 -0.041 0.000 2.568 376 K HA 0.485 4.805 4.320 0.000 0.000 0.273 376 K C -2.920 173.640 176.600 -0.066 0.000 0.951 376 K CA -1.706 54.551 56.287 -0.049 0.000 0.854 376 K CB 2.003 34.473 32.500 -0.049 0.000 1.424 376 K HN -0.263 nan 8.250 nan 0.000 0.427 377 P HA 0.239 nan 4.420 nan 0.000 0.278 377 P C -1.171 176.040 177.300 -0.149 0.000 1.238 377 P CA -0.624 62.413 63.100 -0.103 0.000 0.794 377 P CB 1.046 32.685 31.700 -0.101 0.000 0.955 378 V N -1.507 118.283 119.914 -0.207 0.000 3.178 378 V HA 0.806 4.926 4.120 0.000 0.000 0.302 378 V C -0.749 175.155 176.094 -0.315 0.000 1.262 378 V CA -1.552 60.589 62.300 -0.265 0.000 1.030 378 V CB 1.537 33.160 31.823 -0.333 0.000 1.074 378 V HN 0.564 nan 8.190 nan 0.000 0.438 379 A N 3.757 126.404 122.820 -0.288 0.000 2.535 379 A HA 0.556 4.877 4.320 0.000 0.000 0.290 379 A C -0.079 177.337 177.584 -0.279 0.000 1.270 379 A CA 0.282 52.168 52.037 -0.251 0.000 0.937 379 A CB -1.357 17.526 19.000 -0.195 0.000 1.096 379 A HN 0.905 nan 8.150 nan 0.000 0.534 380 L N 2.198 123.299 121.223 -0.203 0.000 2.331 380 L HA 0.715 5.055 4.340 0.000 0.000 0.268 380 L C 0.122 176.928 176.870 -0.108 0.000 1.015 380 L CA -0.729 53.961 54.840 -0.250 0.000 0.807 380 L CB 1.710 43.560 42.059 -0.348 0.000 1.293 380 L HN 0.775 nan 8.230 nan 0.000 0.451 381 E N 0.055 120.181 120.200 -0.123 0.000 2.381 381 E HA 0.274 4.624 4.350 0.000 0.000 0.286 381 E C -1.636 174.939 176.600 -0.042 0.000 0.960 381 E CA -0.802 55.565 56.400 -0.056 0.000 0.793 381 E CB 1.645 31.324 29.700 -0.036 0.000 1.225 381 E HN 0.469 nan 8.360 nan 0.000 0.420 382 E N 0.375 120.562 120.200 -0.021 0.000 2.438 382 E HA 0.163 4.513 4.350 0.000 0.000 0.261 382 E C 1.003 177.621 176.600 0.030 0.000 1.103 382 E CA 1.116 57.521 56.400 0.009 0.000 0.959 382 E CB 0.258 29.966 29.700 0.012 0.000 0.958 382 E HN 0.900 nan 8.360 nan 0.000 0.447 383 G N 0.866 109.700 108.800 0.056 0.000 2.257 383 G HA2 -0.316 3.644 3.960 0.000 0.000 0.267 383 G HA3 -0.316 3.644 3.960 0.000 0.000 0.267 383 G C 0.152 175.099 174.900 0.078 0.000 0.984 383 G CA 0.571 45.705 45.100 0.058 0.000 0.626 383 G HN 0.391 nan 8.290 nan 0.000 0.540 384 L N 1.845 123.124 121.223 0.094 0.000 2.453 384 L HA 0.557 4.897 4.340 0.000 0.000 0.272 384 L C 0.891 177.909 176.870 0.247 0.000 1.182 384 L CA -0.299 54.625 54.840 0.139 0.000 0.858 384 L CB 0.269 42.394 42.059 0.110 0.000 1.120 384 L HN 0.328 nan 8.230 nan 0.000 0.474 385 R N 4.268 124.897 120.500 0.215 0.000 2.549 385 R HA 0.698 5.038 4.340 0.000 0.000 0.267 385 R C -0.984 175.505 176.300 0.315 0.000 1.045 385 R CA -0.376 55.827 56.100 0.173 0.000 1.115 385 R CB 1.172 31.497 30.300 0.041 0.000 1.121 385 R HN 0.714 nan 8.270 nan 0.000 0.543 386 F N -2.244 117.707 119.950 0.000 0.000 2.831 386 F HA 0.760 5.287 4.527 0.000 0.000 0.318 386 F C -1.798 173.947 175.800 -0.091 0.000 1.174 386 F CA -1.480 56.429 58.000 -0.152 0.000 0.918 386 F CB 1.135 39.801 39.000 -0.557 0.000 1.364 386 F HN 0.528 nan 8.300 nan 0.000 0.475 387 A N 1.379 124.220 122.820 0.034 0.000 2.393 387 A HA 0.810 5.130 4.320 0.000 0.000 0.306 387 A C -1.337 176.269 177.584 0.037 0.000 1.050 387 A CA -0.763 51.239 52.037 -0.058 0.000 0.724 387 A CB 1.016 19.945 19.000 -0.118 0.000 1.248 387 A HN 0.744 nan 8.150 nan 0.000 0.424 388 I N 1.849 122.369 120.570 -0.084 0.000 2.336 388 I HA 0.516 4.686 4.170 0.000 0.000 0.292 388 I C 0.241 176.268 176.117 -0.149 0.000 0.991 388 I CA -0.338 60.838 61.300 -0.208 0.000 1.227 388 I CB 1.370 39.211 38.000 -0.265 0.000 1.366 388 I HN 0.678 nan 8.210 nan 0.000 0.466 389 R N 4.288 124.726 120.500 -0.103 0.000 2.725 389 R HA 0.573 4.913 4.340 0.000 0.000 0.277 389 R C -1.103 175.176 176.300 -0.035 0.000 0.987 389 R CA -0.812 55.245 56.100 -0.072 0.000 0.901 389 R CB 3.059 33.276 30.300 -0.138 0.000 1.207 389 R HN 0.554 nan 8.270 nan 0.000 0.463 390 E N 0.557 120.745 120.200 -0.020 0.000 2.378 390 E HA 0.199 4.549 4.350 0.000 0.000 0.283 390 E C -0.722 175.894 176.600 0.026 0.000 0.979 390 E CA -0.071 56.327 56.400 -0.003 0.000 0.795 390 E CB 1.850 31.538 29.700 -0.020 0.000 1.221 390 E HN 0.752 nan 8.360 nan 0.000 0.428 391 G N 2.279 111.099 108.800 0.033 0.000 2.369 391 G HA2 -0.129 3.831 3.960 0.000 0.000 0.286 391 G HA3 -0.129 3.831 3.960 0.000 0.000 0.286 391 G C 0.958 175.874 174.900 0.028 0.000 0.938 391 G CA 1.332 46.453 45.100 0.034 0.000 1.271 391 G HN 1.459 nan 8.290 nan 0.000 0.488 392 G N -0.430 108.387 108.800 0.029 0.000 2.168 392 G HA2 -0.155 3.805 3.960 0.000 0.000 0.263 392 G HA3 -0.155 3.805 3.960 0.000 0.000 0.263 392 G C 0.462 175.366 174.900 0.007 0.000 0.977 392 G CA 1.541 46.653 45.100 0.021 0.000 0.659 392 G HN 2.159 nan 8.290 nan 0.000 0.533 393 R N -1.221 119.279 120.500 0.000 0.000 2.710 393 R HA 0.623 4.963 4.340 0.000 0.000 0.270 393 R C -0.833 175.446 176.300 -0.036 0.000 1.021 393 R CA -0.356 55.736 56.100 -0.014 0.000 0.889 393 R CB 0.430 30.732 30.300 0.004 0.000 1.243 393 R HN 0.048 nan 8.270 nan 0.000 0.464 394 T N 1.358 115.880 114.554 -0.054 0.000 2.897 394 T HA 0.254 4.604 4.350 0.000 0.000 0.294 394 T C 0.947 175.624 174.700 -0.038 0.000 1.004 394 T CA -0.070 61.982 62.100 -0.080 0.000 1.106 394 T CB 1.422 70.231 68.868 -0.098 0.000 0.949 394 T HN 0.574 nan 8.240 nan 0.000 0.520 395 V N -0.085 119.804 119.914 -0.041 0.000 3.497 395 V HA 0.652 4.772 4.120 0.000 0.000 0.272 395 V C 0.502 176.598 176.094 0.004 0.000 1.474 395 V CA 0.757 63.057 62.300 0.000 0.000 1.025 395 V CB 0.089 31.934 31.823 0.036 0.000 0.820 395 V HN 0.922 nan 8.190 nan 0.000 0.437 396 G N -0.562 108.225 108.800 -0.022 0.000 2.788 396 G HA2 0.883 4.843 3.960 0.000 0.000 0.293 396 G HA3 0.883 4.843 3.960 0.000 0.000 0.293 396 G C -1.277 173.606 174.900 -0.028 0.000 1.392 396 G CA -0.438 44.664 45.100 0.002 0.000 0.810 396 G HN 1.402 nan 8.290 nan 0.000 0.508 397 A N -1.199 121.596 122.820 -0.041 0.000 2.518 397 A HA 0.852 5.172 4.320 0.000 0.000 0.295 397 A C -0.166 177.269 177.584 -0.248 0.000 1.052 397 A CA 0.481 52.422 52.037 -0.159 0.000 0.824 397 A CB 1.096 20.085 19.000 -0.018 0.000 1.325 397 A HN 2.241 nan 8.150 nan 0.000 0.394 398 G N -0.629 107.750 108.800 -0.702 0.000 2.706 398 G HA2 0.841 4.801 3.960 0.000 0.000 0.307 398 G HA3 0.841 4.801 3.960 0.000 0.000 0.307 398 G C -1.475 172.930 174.900 -0.825 0.000 1.307 398 G CA 0.022 44.747 45.100 -0.625 0.000 0.790 398 G HN 2.047 nan 8.290 nan 0.000 0.503 399 V N -0.701 119.097 119.914 -0.193 0.000 3.012 399 V HA 0.615 4.736 4.120 0.000 0.000 0.307 399 V C -0.648 175.763 176.094 0.528 0.000 1.166 399 V CA -0.724 61.703 62.300 0.211 0.000 0.974 399 V CB 1.987 33.866 31.823 0.092 0.000 1.040 399 V HN 0.806 nan 8.190 nan 0.000 0.428 400 V N 5.443 125.648 119.914 0.485 0.000 2.458 400 V HA 0.129 4.249 4.120 0.000 0.000 0.287 400 V C 1.423 177.637 176.094 0.199 0.000 1.009 400 V CA 1.264 63.736 62.300 0.287 0.000 1.091 400 V CB 0.631 32.452 31.823 -0.003 0.000 0.960 400 V HN 1.104 nan 8.190 nan 0.000 0.476 401 T N 4.400 119.087 114.554 0.222 0.000 3.037 401 T HA 0.168 4.518 4.350 0.000 0.000 0.252 401 T C 0.462 175.220 174.700 0.096 0.000 1.073 401 T CA 0.469 62.651 62.100 0.136 0.000 1.091 401 T CB -0.019 68.924 68.868 0.124 0.000 0.935 401 T HN 0.706 nan 8.240 nan 0.000 0.488 402 K N 0.573 121.040 120.400 0.112 0.000 2.622 402 K HA 0.331 4.651 4.320 0.000 0.000 0.273 402 K C -2.122 174.516 176.600 0.064 0.000 0.957 402 K CA -0.646 55.676 56.287 0.060 0.000 0.861 402 K CB 0.960 33.489 32.500 0.048 0.000 1.405 402 K HN -0.022 nan 8.250 nan 0.000 0.406 403 I N 5.507 126.063 120.570 -0.022 0.000 2.354 403 I HA 0.153 4.323 4.170 0.000 0.000 0.292 403 I C 0.571 176.632 176.117 -0.093 0.000 0.989 403 I CA -0.933 60.316 61.300 -0.085 0.000 1.188 403 I CB 1.342 39.164 38.000 -0.297 0.000 1.342 403 I HN 0.586 nan 8.210 nan 0.000 0.457 404 L N 4.720 125.914 121.223 -0.048 0.000 2.121 404 L HA 0.224 4.564 4.340 0.000 0.000 0.200 404 L C 0.890 177.716 176.870 -0.073 0.000 1.077 404 L CA 1.556 56.370 54.840 -0.044 0.000 0.766 404 L CB -0.792 41.256 42.059 -0.018 0.000 0.931 404 L HN 0.652 nan 8.230 nan 0.000 0.452 405 E N 0.000 120.155 120.200 -0.075 0.000 2.725 405 E HA 0.000 4.350 4.350 0.000 0.000 0.291 405 E CA 0.000 56.382 56.400 -0.030 0.000 0.976 405 E CB 0.000 29.707 29.700 0.012 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440