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 2df7_1_G DATA FIRST_RESID 12 DATA SEQUENCE VPFIRSLLMP TTGPASIPDD TLEKHTLRSE TSTYNLTVGD TGSGLIVFFP DATA SEQUENCE GFPGSIVGAH YTLQSNGNYK FDQMLLTAQN LPASYNYCRL VSRSLTVRSS DATA SEQUENCE TLPXXXXXLN GTINAVTFQG SLSELTDVSY NGLMSATANI NDKIGNVLVG DATA SEQUENCE EGVTVLSLPT SYDLGYVRLG DPIPAIGLDP KMVATCDSSD RPRVYTITAA DATA SEQUENCE DDYQFSSQYQ SGGVTITLFS ANIDAITSLS IGGELVFHTS VHGLALDATI DATA SEQUENCE YLIGFDGTTV ITRAVASDNG LTTGIDNLMP FNLVIPTNEI TQPITSIKLE DATA SEQUENCE IVTSKSGGQA GDQMSWSASG SLAVTIHGGN YPGALRPVTL VAYERVATGS DATA SEQUENCE VVTVAGVSNF ELIPNPELAK NLVTEYGRFD PGAMNYTKLI LSERERLGIK DATA SEQUENCE TVWPTREYTD FREYFME 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.152 176.094 0.096 0.000 1.182 12 V CA 0.000 62.306 62.300 0.009 0.000 1.235 12 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 13 P HA -0.286 nan 4.420 nan 0.000 0.225 13 P C 1.597 178.970 177.300 0.122 0.000 1.154 13 P CA 1.970 65.129 63.100 0.098 0.000 0.933 13 P CB 0.087 31.845 31.700 0.097 0.000 0.790 14 F N 0.076 120.061 119.950 0.058 0.000 2.095 14 F HA -0.206 4.321 4.527 -0.001 0.000 0.298 14 F C 2.051 177.904 175.800 0.089 0.000 1.104 14 F CA 1.478 59.510 58.000 0.053 0.000 1.232 14 F CB -0.760 38.252 39.000 0.020 0.000 0.987 14 F HN -0.221 nan 8.300 nan 0.000 0.475 15 I N 0.354 120.919 120.570 -0.008 0.000 2.286 15 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 15 I C 2.530 178.621 176.117 -0.044 0.000 1.115 15 I CA 1.529 62.826 61.300 -0.005 0.000 1.392 15 I CB -1.406 36.819 38.000 0.374 0.000 1.065 15 I HN 0.232 nan 8.210 nan 0.000 0.418 16 R N 0.655 121.194 120.500 0.065 0.000 2.081 16 R HA -0.150 4.189 4.340 -0.000 0.000 0.235 16 R C 2.619 178.885 176.300 -0.058 0.000 1.131 16 R CA 1.828 57.981 56.100 0.088 0.000 0.960 16 R CB -0.136 30.246 30.300 0.137 0.000 0.856 16 R HN 0.189 nan 8.270 nan 0.000 0.436 17 S N 0.159 115.787 115.700 -0.120 0.000 2.368 17 S HA -0.107 4.363 4.470 -0.000 0.000 0.224 17 S C 1.827 176.294 174.600 -0.222 0.000 1.029 17 S CA 1.066 59.180 58.200 -0.144 0.000 0.988 17 S CB -0.277 62.850 63.200 -0.121 0.000 0.838 17 S HN 0.342 nan 8.310 nan 0.000 0.462 18 L N 1.611 122.582 121.223 -0.420 0.000 1.989 18 L HA 0.037 4.377 4.340 -0.000 0.000 0.211 18 L C 2.021 178.795 176.870 -0.160 0.000 1.071 18 L CA 1.903 56.527 54.840 -0.360 0.000 0.749 18 L CB -0.600 41.139 42.059 -0.533 0.000 0.890 18 L HN 0.387 nan 8.230 nan 0.000 0.431 19 L N -1.536 119.592 121.223 -0.159 0.000 2.341 19 L HA 0.027 4.366 4.340 -0.000 0.000 0.214 19 L C 0.736 177.607 176.870 0.002 0.000 1.115 19 L CA 0.414 55.216 54.840 -0.063 0.000 0.820 19 L CB -0.086 41.848 42.059 -0.209 0.000 0.944 19 L HN 0.265 nan 8.230 nan 0.000 0.452 20 M N -0.934 118.630 119.600 -0.059 0.000 2.720 20 M HA 0.235 4.715 4.480 -0.000 0.000 0.250 20 M C -1.998 174.298 176.300 -0.007 0.000 1.280 20 M CA -1.241 54.064 55.300 0.008 0.000 0.579 20 M CB 1.473 34.047 32.600 -0.042 0.000 1.469 20 M HN -0.266 nan 8.290 nan 0.000 0.416 21 P HA -0.193 nan 4.420 nan 0.000 0.217 21 P C 1.388 178.676 177.300 -0.019 0.000 1.148 21 P CA 1.673 64.749 63.100 -0.041 0.000 0.834 21 P CB -0.116 31.545 31.700 -0.065 0.000 0.783 22 T N -4.646 109.909 114.554 0.000 0.000 3.051 22 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 22 T C 1.493 176.200 174.700 0.011 0.000 1.127 22 T CA 1.564 63.669 62.100 0.008 0.000 1.107 22 T CB -1.523 67.357 68.868 0.020 0.000 0.898 22 T HN 0.220 nan 8.240 nan 0.000 0.517 23 T N -1.706 112.853 114.554 0.009 0.000 3.148 23 T HA 0.503 4.853 4.350 -0.000 0.000 0.253 23 T C 1.135 175.845 174.700 0.016 0.000 1.134 23 T CA 0.133 62.240 62.100 0.013 0.000 1.051 23 T CB -0.503 68.374 68.868 0.015 0.000 0.959 23 T HN 1.091 nan 8.240 nan 0.000 0.525 24 G N 1.598 110.406 108.800 0.014 0.000 2.423 24 G HA2 0.211 4.171 3.960 -0.000 0.000 0.684 24 G HA3 0.211 4.171 3.960 -0.000 0.000 0.684 24 G C -3.374 171.540 174.900 0.023 0.000 1.309 24 G CA -0.657 44.457 45.100 0.025 0.000 0.950 24 G HN 0.287 nan 8.290 nan 0.000 0.587 25 P HA 0.714 nan 4.420 nan 0.000 0.280 25 P C -0.370 176.986 177.300 0.093 0.000 1.272 25 P CA 0.341 63.478 63.100 0.061 0.000 0.819 25 P CB 2.027 33.776 31.700 0.082 0.000 1.122 26 A N 0.158 123.062 122.820 0.140 0.000 2.605 26 A HA 0.550 4.870 4.320 -0.000 0.000 0.294 26 A C -0.628 177.106 177.584 0.249 0.000 1.062 26 A CA -0.515 51.637 52.037 0.192 0.000 0.682 26 A CB 0.579 19.706 19.000 0.211 0.000 1.278 26 A HN 0.377 nan 8.150 nan 0.000 0.410 27 S N 0.758 116.597 115.700 0.233 0.000 2.565 27 S HA 0.448 4.917 4.470 -0.000 0.000 0.276 27 S C 0.294 174.911 174.600 0.029 0.000 1.326 27 S CA -0.297 58.019 58.200 0.194 0.000 1.045 27 S CB 0.300 63.671 63.200 0.284 0.000 0.918 27 S HN 0.480 nan 8.310 nan 0.000 0.505 28 I N 4.822 125.296 120.570 -0.160 0.000 2.587 28 I HA 0.101 4.271 4.170 -0.000 0.000 0.284 28 I C -1.406 174.395 176.117 -0.527 0.000 1.134 28 I CA -1.422 59.502 61.300 -0.625 0.000 1.410 28 I CB 0.416 38.110 38.000 -0.510 0.000 1.392 28 I HN 0.436 nan 8.210 nan 0.000 0.545 29 P HA 0.034 nan 4.420 nan 0.000 0.228 29 P C -0.929 176.218 177.300 -0.255 0.000 1.748 29 P CA -0.127 62.770 63.100 -0.337 0.000 0.909 29 P CB -0.350 31.168 31.700 -0.305 0.000 1.882 30 D N -0.567 119.697 120.400 -0.226 0.000 2.570 30 D HA 0.133 4.772 4.640 -0.000 0.000 0.266 30 D C 0.370 176.654 176.300 -0.025 0.000 1.182 30 D CA -0.341 53.590 54.000 -0.115 0.000 1.088 30 D CB -0.059 40.676 40.800 -0.109 0.000 1.186 30 D HN -0.198 nan 8.370 nan 0.000 0.618 31 D N -1.304 119.097 120.400 0.003 0.000 2.363 31 D HA 0.075 4.715 4.640 -0.000 0.000 0.214 31 D C -0.048 176.278 176.300 0.043 0.000 1.093 31 D CA 0.192 54.203 54.000 0.019 0.000 0.837 31 D CB 0.132 40.942 40.800 0.016 0.000 0.948 31 D HN 0.243 nan 8.370 nan 0.000 0.507 32 T N 1.838 116.427 114.554 0.059 0.000 4.313 32 T HA 0.179 4.529 4.350 -0.000 0.000 0.272 32 T C 0.950 175.746 174.700 0.159 0.000 1.298 32 T CA -0.175 61.992 62.100 0.112 0.000 1.124 32 T CB -0.400 68.546 68.868 0.130 0.000 1.352 32 T HN 0.048 nan 8.240 nan 0.000 1.013 33 L N 3.426 124.737 121.223 0.146 0.000 2.574 33 L HA 0.157 4.497 4.340 -0.000 0.000 0.281 33 L C 0.753 177.818 176.870 0.324 0.000 1.212 33 L CA 0.358 55.343 54.840 0.242 0.000 1.082 33 L CB -0.196 41.950 42.059 0.145 0.000 1.362 33 L HN 0.393 nan 8.230 nan 0.000 0.451 34 E N 3.004 123.356 120.200 0.254 0.000 2.227 34 E HA 0.334 4.684 4.350 -0.000 0.000 0.268 34 E C -0.709 175.849 176.600 -0.070 0.000 0.907 34 E CA -1.044 55.359 56.400 0.005 0.000 0.786 34 E CB 2.349 31.843 29.700 -0.343 0.000 1.191 34 E HN 0.300 nan 8.360 nan 0.000 0.411 35 K N 3.181 123.314 120.400 -0.446 0.000 2.383 35 K HA 0.115 4.434 4.320 -0.000 0.000 0.286 35 K C 0.124 176.631 176.600 -0.156 0.000 1.051 35 K CA 0.136 56.106 56.287 -0.528 0.000 0.974 35 K CB 0.262 32.428 32.500 -0.557 0.000 0.968 35 K HN 0.521 nan 8.250 nan 0.000 0.475 36 H N -0.371 118.625 119.070 -0.125 0.000 2.947 36 H HA 0.486 5.042 4.556 -0.000 0.000 0.290 36 H C -1.124 174.233 175.328 0.049 0.000 1.430 36 H CA -0.871 55.180 56.048 0.004 0.000 1.189 36 H CB 1.801 31.647 29.762 0.140 0.000 1.875 36 H HN 0.475 nan 8.280 nan 0.000 0.568 37 T N 0.362 115.029 114.554 0.187 0.000 2.906 37 T HA 0.579 4.929 4.350 -0.000 0.000 0.295 37 T C -1.008 173.832 174.700 0.235 0.000 1.075 37 T CA -0.771 61.401 62.100 0.120 0.000 1.005 37 T CB 1.125 70.075 68.868 0.137 0.000 1.136 37 T HN 0.426 nan 8.240 nan 0.000 0.498 38 L N 3.815 125.143 121.223 0.174 0.000 2.317 38 L HA 0.752 5.092 4.340 -0.000 0.000 0.281 38 L C 0.208 177.159 176.870 0.134 0.000 1.024 38 L CA -1.032 53.917 54.840 0.182 0.000 0.810 38 L CB 1.367 43.526 42.059 0.168 0.000 1.240 38 L HN 0.457 nan 8.230 nan 0.000 0.427 39 R N 1.420 122.004 120.500 0.141 0.000 2.774 39 R HA 0.590 4.930 4.340 -0.000 0.000 0.272 39 R C -1.425 174.981 176.300 0.177 0.000 1.000 39 R CA -0.860 55.321 56.100 0.135 0.000 0.906 39 R CB 2.393 32.739 30.300 0.077 0.000 1.227 39 R HN 0.493 nan 8.270 nan 0.000 0.468 40 S N 1.212 117.000 115.700 0.148 0.000 2.482 40 S HA 0.470 4.940 4.470 -0.000 0.000 0.303 40 S C -0.897 173.801 174.600 0.163 0.000 1.091 40 S CA -0.729 57.552 58.200 0.135 0.000 1.057 40 S CB 1.922 65.170 63.200 0.081 0.000 1.031 40 S HN 0.252 nan 8.310 nan 0.000 0.485 41 E N 2.435 122.756 120.200 0.202 0.000 2.224 41 E HA 0.352 4.702 4.350 -0.000 0.000 0.265 41 E C -0.313 176.378 176.600 0.151 0.000 0.878 41 E CA -0.461 56.056 56.400 0.195 0.000 0.759 41 E CB 2.001 31.870 29.700 0.282 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.616 114.003 114.554 0.107 0.000 2.874 42 T HA 0.560 4.910 4.350 -0.000 0.000 0.281 42 T C 0.316 175.075 174.700 0.098 0.000 0.994 42 T CA -0.615 61.533 62.100 0.080 0.000 1.015 42 T CB 1.095 69.990 68.868 0.045 0.000 1.028 42 T HN 0.113 nan 8.240 nan 0.000 0.523 43 S N 0.895 116.652 115.700 0.095 0.000 2.594 43 S HA 0.687 5.157 4.470 -0.000 0.000 0.296 43 S C -0.747 173.896 174.600 0.071 0.000 1.124 43 S CA -0.874 57.416 58.200 0.149 0.000 1.011 43 S CB 1.477 64.834 63.200 0.263 0.000 1.016 43 S HN 1.074 nan 8.310 nan 0.000 0.485 44 T N 1.401 115.879 114.554 -0.127 0.000 3.011 44 T HA 0.707 5.056 4.350 -0.000 0.000 0.303 44 T C -1.445 172.938 174.700 -0.528 0.000 0.997 44 T CA -0.539 61.453 62.100 -0.180 0.000 1.007 44 T CB 0.565 69.344 68.868 -0.148 0.000 1.017 44 T HN 0.409 nan 8.240 nan 0.000 0.443 45 Y N 1.133 121.442 120.300 0.015 0.000 2.504 45 Y HA 0.550 5.099 4.550 -0.000 0.000 0.344 45 Y C -0.284 175.598 175.900 -0.029 0.000 1.023 45 Y CA -1.222 56.874 58.100 -0.006 0.000 1.020 45 Y CB 2.325 40.778 38.460 -0.011 0.000 1.282 45 Y HN 0.564 nan 8.280 nan 0.000 0.454 46 N N 3.816 122.569 118.700 0.089 0.000 2.626 46 N HA 0.392 5.132 4.740 -0.000 0.000 0.242 46 N C -1.339 174.183 175.510 0.019 0.000 1.005 46 N CA -0.275 52.792 53.050 0.028 0.000 0.905 46 N CB 1.007 39.494 38.487 0.001 0.000 1.128 46 N HN 0.557 nan 8.380 nan 0.000 0.512 47 L N 1.086 122.286 121.223 -0.038 0.000 2.350 47 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 47 L C 0.692 177.522 176.870 -0.067 0.000 1.099 47 L CA -0.351 54.428 54.840 -0.102 0.000 0.808 47 L CB 0.933 42.760 42.059 -0.386 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 2.032 116.595 114.554 0.015 0.000 2.767 48 T HA 0.307 4.657 4.350 -0.000 0.000 0.288 48 T C 0.093 174.851 174.700 0.097 0.000 0.963 48 T CA -0.474 61.646 62.100 0.034 0.000 1.019 48 T CB 1.525 70.417 68.868 0.039 0.000 0.923 48 T HN 0.193 nan 8.240 nan 0.000 0.468 49 V N 3.801 123.743 119.914 0.046 0.000 2.572 49 V HA 0.385 4.505 4.120 -0.000 0.000 0.291 49 V C 1.317 177.480 176.094 0.113 0.000 1.039 49 V CA -0.193 62.170 62.300 0.105 0.000 1.055 49 V CB 0.796 32.627 31.823 0.014 0.000 0.969 49 V HN 1.043 nan 8.190 nan 0.000 0.482 50 G N 3.114 112.006 108.800 0.153 0.000 2.570 50 G HA2 0.158 4.118 3.960 -0.000 0.000 0.276 50 G HA3 0.158 4.118 3.960 -0.000 0.000 0.276 50 G C 0.526 175.467 174.900 0.069 0.000 1.346 50 G CA 0.245 45.401 45.100 0.094 0.000 1.034 50 G HN 0.888 nan 8.290 nan 0.000 0.512 51 D N -1.906 118.518 120.400 0.041 0.000 2.312 51 D HA -0.094 4.546 4.640 -0.000 0.000 0.211 51 D C 2.107 178.420 176.300 0.021 0.000 0.964 51 D CA 1.406 55.421 54.000 0.026 0.000 0.877 51 D CB -0.291 40.517 40.800 0.013 0.000 0.924 51 D HN 0.411 nan 8.370 nan 0.000 0.515 52 T N -4.070 110.497 114.554 0.022 0.000 3.081 52 T HA 0.293 4.642 4.350 -0.000 0.000 0.255 52 T C 1.903 176.619 174.700 0.028 0.000 1.113 52 T CA 0.250 62.353 62.100 0.005 0.000 1.082 52 T CB -0.228 68.625 68.868 -0.025 0.000 0.939 52 T HN 0.373 nan 8.240 nan 0.000 0.506 53 G N 0.484 109.332 108.800 0.079 0.000 2.155 53 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 53 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 53 G C 0.106 175.140 174.900 0.223 0.000 0.983 53 G CA 0.204 45.382 45.100 0.129 0.000 0.676 53 G HN 0.780 nan 8.290 nan 0.000 0.528 54 S N -0.884 114.909 115.700 0.155 0.000 2.542 54 S HA 0.913 5.383 4.470 -0.000 0.000 0.293 54 S C 0.377 174.874 174.600 -0.172 0.000 1.089 54 S CA 0.091 58.286 58.200 -0.007 0.000 0.961 54 S CB 2.323 65.471 63.200 -0.086 0.000 1.062 54 S HN 1.619 nan 8.310 nan 0.000 0.483 55 G N 0.328 108.626 108.800 -0.837 0.000 2.600 55 G HA2 0.641 4.601 3.960 -0.000 0.000 0.293 55 G HA3 0.641 4.601 3.960 -0.000 0.000 0.293 55 G C -2.463 172.156 174.900 -0.470 0.000 1.408 55 G CA -0.536 44.207 45.100 -0.596 0.000 0.782 55 G HN 0.625 nan 8.290 nan 0.000 0.482 56 L N -0.062 121.131 121.223 -0.049 0.000 2.470 56 L HA 0.748 5.087 4.340 -0.000 0.000 0.268 56 L C -1.194 175.724 176.870 0.080 0.000 0.964 56 L CA -0.571 54.252 54.840 -0.028 0.000 0.839 56 L CB 1.797 43.742 42.059 -0.191 0.000 1.276 56 L HN 0.496 nan 8.230 nan 0.000 0.403 57 I N 5.281 125.854 120.570 0.005 0.000 2.354 57 I HA 0.454 4.624 4.170 -0.000 0.000 0.292 57 I C -0.691 175.185 176.117 -0.402 0.000 0.989 57 I CA -0.878 60.316 61.300 -0.176 0.000 1.188 57 I CB 1.881 39.712 38.000 -0.281 0.000 1.342 57 I HN 0.249 nan 8.210 nan 0.000 0.457 58 V N 7.211 126.834 119.914 -0.486 0.000 2.370 58 V HA 0.381 4.500 4.120 -0.000 0.000 0.279 58 V C -0.326 175.232 176.094 -0.893 0.000 1.029 58 V CA -0.390 61.560 62.300 -0.583 0.000 0.870 58 V CB 0.976 32.489 31.823 -0.517 0.000 0.984 58 V HN 0.393 nan 8.190 nan 0.000 0.451 59 F N 3.817 123.480 119.950 -0.478 0.000 2.458 59 F HA 0.596 5.123 4.527 -0.000 0.000 0.330 59 F C -0.025 175.421 175.800 -0.591 0.000 1.082 59 F CA -0.582 57.148 58.000 -0.450 0.000 0.995 59 F CB 1.846 40.744 39.000 -0.171 0.000 1.170 59 F HN 0.353 nan 8.300 nan 0.000 0.478 60 F N 3.576 123.689 119.950 0.272 0.000 2.371 60 F HA 0.265 4.792 4.527 -0.000 0.000 0.343 60 F C -1.546 174.405 175.800 0.252 0.000 1.150 60 F CA -1.744 56.393 58.000 0.228 0.000 1.220 60 F CB 0.276 39.400 39.000 0.207 0.000 1.475 60 F HN 0.279 nan 8.300 nan 0.000 0.521 61 P HA -0.201 nan 4.420 nan 0.000 0.217 61 P C 1.424 178.836 177.300 0.188 0.000 1.151 61 P CA 1.638 64.842 63.100 0.173 0.000 0.849 61 P CB 0.257 32.011 31.700 0.088 0.000 0.787 62 G N -1.961 106.975 108.800 0.227 0.000 3.284 62 G HA2 0.054 4.014 3.960 -0.000 0.000 0.236 62 G HA3 0.054 4.014 3.960 -0.000 0.000 0.236 62 G C -0.121 174.934 174.900 0.258 0.000 1.158 62 G CA -0.468 44.747 45.100 0.192 0.000 0.774 62 G HN 0.158 nan 8.290 nan 0.000 0.545 63 F N 3.145 123.232 119.950 0.227 0.000 2.590 63 F HA 0.244 4.771 4.527 -0.000 0.000 0.389 63 F C -1.487 174.454 175.800 0.235 0.000 1.049 63 F CA -2.410 55.720 58.000 0.218 0.000 1.199 63 F CB 1.008 40.144 39.000 0.226 0.000 1.058 63 F HN -0.033 nan 8.300 nan 0.000 0.556 64 P HA 0.304 nan 4.420 nan 0.000 0.231 64 P C -0.074 177.082 177.300 -0.239 0.000 1.811 64 P CA 0.378 63.351 63.100 -0.212 0.000 1.051 64 P CB 0.149 31.658 31.700 -0.317 0.000 1.951 65 G N 0.299 109.261 108.800 0.270 0.000 2.367 65 G HA2 0.017 3.977 3.960 -0.000 0.000 0.272 65 G HA3 0.017 3.977 3.960 -0.000 0.000 0.272 65 G C 0.295 175.490 174.900 0.491 0.000 1.271 65 G CA -0.315 44.940 45.100 0.257 0.000 0.893 65 G HN -0.049 nan 8.290 nan 0.000 0.485 66 S N -0.309 115.600 115.700 0.348 0.000 2.562 66 S HA 0.242 4.712 4.470 -0.000 0.000 0.221 66 S C 1.067 175.778 174.600 0.184 0.000 0.975 66 S CA 0.110 58.460 58.200 0.250 0.000 0.918 66 S CB -0.310 62.973 63.200 0.139 0.000 0.772 66 S HN 0.344 nan 8.310 nan 0.000 0.531 67 I N 1.591 122.156 120.570 -0.009 0.000 2.363 67 I HA 0.123 4.293 4.170 -0.000 0.000 0.292 67 I C 0.888 176.983 176.117 -0.037 0.000 1.075 67 I CA -0.176 60.950 61.300 -0.290 0.000 1.333 67 I CB 1.143 38.543 38.000 -0.999 0.000 1.415 67 I HN -0.046 nan 8.210 nan 0.000 0.502 68 V N 5.600 125.611 119.914 0.162 0.000 2.795 68 V HA 0.370 4.489 4.120 -0.000 0.000 0.243 68 V C 0.985 177.295 176.094 0.359 0.000 1.069 68 V CA 1.178 63.666 62.300 0.313 0.000 1.089 68 V CB 0.495 32.505 31.823 0.312 0.000 0.756 68 V HN 0.988 nan 8.190 nan 0.000 0.471 69 G N -1.212 107.698 108.800 0.184 0.000 2.341 69 G HA2 0.655 4.615 3.960 -0.000 0.000 0.299 69 G HA3 0.655 4.615 3.960 -0.000 0.000 0.299 69 G C -1.858 172.978 174.900 -0.107 0.000 1.274 69 G CA 0.122 45.154 45.100 -0.113 0.000 0.853 69 G HN 0.628 nan 8.290 nan 0.000 0.493 70 A N -0.498 122.173 122.820 -0.248 0.000 2.520 70 A HA 0.777 5.097 4.320 -0.000 0.000 0.298 70 A C -1.210 176.214 177.584 -0.266 0.000 1.051 70 A CA -0.459 51.484 52.037 -0.157 0.000 0.690 70 A CB 1.439 20.473 19.000 0.058 0.000 1.281 70 A HN 1.164 nan 8.150 nan 0.000 0.402 71 H N 1.457 120.236 119.070 -0.485 0.000 2.459 71 H HA 0.650 5.206 4.556 -0.000 0.000 0.332 71 H C -1.722 173.279 175.328 -0.544 0.000 1.094 71 H CA -0.259 55.550 56.048 -0.398 0.000 1.224 71 H CB 0.834 30.409 29.762 -0.311 0.000 1.449 71 H HN 0.617 nan 8.280 nan 0.000 0.484 72 Y N 1.872 121.923 120.300 -0.416 0.000 2.425 72 Y HA 0.191 4.740 4.550 -0.000 0.000 0.344 72 Y C 0.231 175.950 175.900 -0.300 0.000 0.969 72 Y CA -0.820 57.106 58.100 -0.289 0.000 1.052 72 Y CB 2.257 40.706 38.460 -0.019 0.000 1.215 72 Y HN 0.578 nan 8.280 nan 0.000 0.451 73 T N 0.523 115.056 114.554 -0.034 0.000 2.902 73 T HA 0.569 4.919 4.350 -0.000 0.000 0.283 73 T C -0.915 173.883 174.700 0.164 0.000 1.009 73 T CA -0.811 61.319 62.100 0.049 0.000 1.051 73 T CB 1.527 70.403 68.868 0.014 0.000 0.999 73 T HN 0.442 nan 8.240 nan 0.000 0.474 74 L N 2.379 123.637 121.223 0.058 0.000 2.276 74 L HA 0.403 4.743 4.340 -0.000 0.000 0.286 74 L C 0.059 176.857 176.870 -0.121 0.000 1.061 74 L CA 0.028 54.758 54.840 -0.183 0.000 0.807 74 L CB 0.748 42.613 42.059 -0.323 0.000 1.177 74 L HN 0.757 nan 8.230 nan 0.000 0.429 75 Q N 1.787 121.503 119.800 -0.139 0.000 2.212 75 Q HA 0.263 4.603 4.340 -0.000 0.000 0.238 75 Q C 1.266 177.207 176.000 -0.098 0.000 0.955 75 Q CA 0.189 55.942 55.803 -0.084 0.000 0.906 75 Q CB 1.388 30.093 28.738 -0.056 0.000 1.215 75 Q HN 0.860 nan 8.270 nan 0.000 0.478 76 S N 0.781 116.443 115.700 -0.064 0.000 2.402 76 S HA -0.229 4.241 4.470 -0.000 0.000 0.233 76 S C 1.157 175.714 174.600 -0.071 0.000 1.030 76 S CA 1.795 59.959 58.200 -0.061 0.000 1.003 76 S CB -0.446 62.730 63.200 -0.040 0.000 0.813 76 S HN 0.799 nan 8.310 nan 0.000 0.477 77 N N 1.476 120.132 118.700 -0.073 0.000 2.521 77 N HA 0.239 4.979 4.740 -0.000 0.000 0.188 77 N C 1.248 176.696 175.510 -0.102 0.000 1.146 77 N CA 0.756 53.761 53.050 -0.075 0.000 0.893 77 N CB -0.637 37.813 38.487 -0.062 0.000 0.975 77 N HN 0.654 nan 8.380 nan 0.000 0.451 78 G N -1.060 107.656 108.800 -0.139 0.000 2.195 78 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.246 78 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.246 78 G C -0.362 174.385 174.900 -0.255 0.000 0.984 78 G CA -0.019 44.968 45.100 -0.187 0.000 0.633 78 G HN 0.482 nan 8.290 nan 0.000 0.525 79 N N -0.180 118.393 118.700 -0.211 0.000 2.492 79 N HA 0.587 5.327 4.740 -0.000 0.000 0.289 79 N C -0.380 174.998 175.510 -0.219 0.000 1.133 79 N CA -0.330 52.599 53.050 -0.202 0.000 0.961 79 N CB 0.716 39.138 38.487 -0.108 0.000 1.186 79 N HN 0.227 nan 8.380 nan 0.000 0.493 80 Y N 0.220 120.446 120.300 -0.124 0.000 2.307 80 Y HA 0.248 4.797 4.550 -0.000 0.000 0.324 80 Y C 0.970 176.900 175.900 0.051 0.000 1.238 80 Y CA -0.004 58.072 58.100 -0.040 0.000 1.280 80 Y CB 1.207 39.609 38.460 -0.096 0.000 1.248 80 Y HN 0.139 nan 8.280 nan 0.000 0.508 81 K N 3.392 123.994 120.400 0.338 0.000 2.471 81 K HA 0.232 4.552 4.320 -0.000 0.000 0.252 81 K C -1.507 175.295 176.600 0.337 0.000 0.938 81 K CA -0.793 55.657 56.287 0.271 0.000 0.796 81 K CB 1.030 33.605 32.500 0.126 0.000 1.161 81 K HN 0.580 nan 8.250 nan 0.000 0.425 82 F N 3.928 124.007 119.950 0.214 0.000 2.572 82 F HA 0.004 4.531 4.527 -0.000 0.000 0.370 82 F C 0.906 176.617 175.800 -0.149 0.000 1.103 82 F CA 0.532 58.500 58.000 -0.054 0.000 1.286 82 F CB 0.782 39.780 39.000 -0.002 0.000 1.105 82 F HN 0.784 nan 8.300 nan 0.000 0.583 83 D N 2.421 122.116 120.400 -1.175 0.000 2.805 83 D HA 0.106 4.746 4.640 -0.000 0.000 0.271 83 D C -0.550 174.963 176.300 -1.312 0.000 1.166 83 D CA 1.024 54.491 54.000 -0.889 0.000 1.004 83 D CB 0.218 40.696 40.800 -0.537 0.000 1.136 83 D HN 0.702 nan 8.370 nan 0.000 0.444 84 Q N -1.151 117.808 119.800 -1.401 0.000 2.756 84 Q HA 0.302 4.642 4.340 -0.000 0.000 0.295 84 Q C -1.188 174.606 176.000 -0.343 0.000 0.903 84 Q CA -0.989 54.329 55.803 -0.809 0.000 0.768 84 Q CB 0.978 29.529 28.738 -0.311 0.000 1.472 84 Q HN -0.036 nan 8.270 nan 0.000 0.416 85 M N 1.438 121.045 119.600 0.012 0.000 2.247 85 M HA 0.456 4.936 4.480 -0.000 0.000 0.326 85 M C -0.520 175.644 176.300 -0.227 0.000 1.134 85 M CA -0.280 55.025 55.300 0.008 0.000 1.136 85 M CB 0.246 32.899 32.600 0.088 0.000 1.454 85 M HN 0.618 nan 8.290 nan 0.000 0.467 86 L N 3.749 124.811 121.223 -0.269 0.000 2.298 86 L HA 0.569 4.909 4.340 -0.000 0.000 0.284 86 L C -0.480 176.361 176.870 -0.048 0.000 1.013 86 L CA -0.333 54.193 54.840 -0.524 0.000 0.824 86 L CB 0.925 42.718 42.059 -0.443 0.000 1.221 86 L HN 0.584 nan 8.230 nan 0.000 0.418 87 L N 1.175 122.511 121.223 0.188 0.000 2.216 87 L HA 0.667 5.007 4.340 -0.000 0.000 0.260 87 L C 0.600 177.666 176.870 0.328 0.000 1.036 87 L CA -0.826 54.161 54.840 0.245 0.000 0.914 87 L CB 1.930 44.111 42.059 0.202 0.000 1.501 87 L HN 0.543 nan 8.230 nan 0.000 0.485 88 T N -2.716 111.985 114.554 0.245 0.000 2.881 88 T HA 0.441 4.791 4.350 -0.000 0.000 0.278 88 T C 1.009 175.805 174.700 0.160 0.000 0.982 88 T CA -0.086 62.146 62.100 0.220 0.000 0.989 88 T CB 1.528 70.533 68.868 0.227 0.000 1.058 88 T HN 0.625 nan 8.240 nan 0.000 0.529 89 A N 1.035 123.925 122.820 0.116 0.000 1.917 89 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 89 A C 1.270 178.897 177.584 0.072 0.000 1.182 89 A CA 1.688 53.764 52.037 0.066 0.000 0.633 89 A CB -0.951 18.080 19.000 0.051 0.000 0.819 89 A HN 0.990 nan 8.150 nan 0.000 0.448 90 Q N -1.775 118.079 119.800 0.090 0.000 2.416 90 Q HA 0.540 4.880 4.340 -0.000 0.000 0.279 90 Q C -0.951 175.102 176.000 0.088 0.000 1.101 90 Q CA -1.001 54.851 55.803 0.082 0.000 0.830 90 Q CB 0.757 29.544 28.738 0.083 0.000 1.402 90 Q HN 0.151 nan 8.270 nan 0.000 0.445 91 N N 1.384 120.129 118.700 0.075 0.000 2.448 91 N HA 0.130 4.870 4.740 -0.000 0.000 0.250 91 N C 0.362 175.916 175.510 0.073 0.000 1.136 91 N CA -0.051 53.041 53.050 0.070 0.000 0.953 91 N CB 0.291 38.811 38.487 0.055 0.000 1.251 91 N HN 0.800 nan 8.380 nan 0.000 0.502 92 L N 4.226 125.489 121.223 0.067 0.000 2.051 92 L HA -0.144 4.196 4.340 -0.000 0.000 0.214 92 L C -0.653 176.290 176.870 0.122 0.000 1.076 92 L CA 1.408 56.306 54.840 0.097 0.000 0.758 92 L CB -1.203 40.804 42.059 -0.087 0.000 0.890 92 L HN 0.500 nan 8.230 nan 0.000 0.433 93 P HA -0.160 nan 4.420 nan 0.000 0.223 93 P C 1.162 178.466 177.300 0.006 0.000 1.144 93 P CA 1.460 64.575 63.100 0.025 0.000 0.783 93 P CB 0.002 31.709 31.700 0.011 0.000 0.771 94 A N -1.485 121.342 122.820 0.011 0.000 2.119 94 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 94 A C 1.998 179.539 177.584 -0.072 0.000 1.152 94 A CA 1.486 53.511 52.037 -0.020 0.000 0.708 94 A CB -0.558 18.438 19.000 -0.006 0.000 0.805 94 A HN 0.120 nan 8.150 nan 0.000 0.460 95 S N -2.571 113.063 115.700 -0.109 0.000 2.589 95 S HA 0.360 4.830 4.470 -0.000 0.000 0.235 95 S C -0.506 173.709 174.600 -0.642 0.000 1.051 95 S CA -0.228 57.751 58.200 -0.368 0.000 0.978 95 S CB 0.157 63.075 63.200 -0.471 0.000 0.929 95 S HN 0.505 nan 8.310 nan 0.000 0.523 96 Y N 0.744 121.026 120.300 -0.030 0.000 2.576 96 Y HA 0.510 5.059 4.550 -0.000 0.000 0.346 96 Y C 0.587 176.452 175.900 -0.059 0.000 1.018 96 Y CA -1.131 56.956 58.100 -0.022 0.000 1.050 96 Y CB 1.058 39.506 38.460 -0.020 0.000 1.280 96 Y HN -0.168 nan 8.280 nan 0.000 0.474 97 N N -0.230 118.532 118.700 0.104 0.000 2.407 97 N HA 0.099 4.839 4.740 -0.000 0.000 0.182 97 N C -1.180 174.108 175.510 -0.371 0.000 1.079 97 N CA 0.427 53.395 53.050 -0.137 0.000 0.882 97 N CB 0.538 38.944 38.487 -0.135 0.000 1.106 97 N HN 0.519 nan 8.380 nan 0.000 0.461 98 Y N -0.921 119.450 120.300 0.118 0.000 2.545 98 Y HA 0.557 5.106 4.550 -0.000 0.000 0.348 98 Y C -0.143 175.859 175.900 0.170 0.000 1.002 98 Y CA -1.166 57.016 58.100 0.138 0.000 1.039 98 Y CB 2.131 40.693 38.460 0.169 0.000 1.271 98 Y HN -0.127 nan 8.280 nan 0.000 0.467 99 C N 2.344 121.826 119.300 0.303 0.000 3.285 99 C HA 0.813 5.273 4.460 -0.000 0.000 0.325 99 C C -1.821 173.133 174.990 -0.060 0.000 1.304 99 C CA -0.626 58.456 59.018 0.106 0.000 1.319 99 C CB 1.841 29.538 27.740 -0.072 0.000 1.640 99 C HN 0.984 nan 8.230 nan 0.000 0.477 100 R N 2.264 122.714 120.500 -0.082 0.000 2.626 100 R HA 0.568 4.908 4.340 -0.000 0.000 0.274 100 R C -1.757 174.599 176.300 0.094 0.000 1.031 100 R CA -0.760 55.255 56.100 -0.142 0.000 0.898 100 R CB 1.986 31.976 30.300 -0.517 0.000 1.222 100 R HN 0.714 nan 8.270 nan 0.000 0.455 101 L N 3.118 124.399 121.223 0.098 0.000 2.290 101 L HA 0.218 4.557 4.340 -0.000 0.000 0.284 101 L C 0.321 177.190 176.870 -0.002 0.000 1.078 101 L CA 0.330 55.165 54.840 -0.008 0.000 0.815 101 L CB 1.574 43.645 42.059 0.018 0.000 1.162 101 L HN 0.549 nan 8.230 nan 0.000 0.435 102 V N 2.622 122.493 119.914 -0.072 0.000 2.581 102 V HA 0.281 4.401 4.120 -0.000 0.000 0.240 102 V C 0.596 176.733 176.094 0.071 0.000 1.054 102 V CA 1.122 63.465 62.300 0.071 0.000 1.076 102 V CB 0.146 32.008 31.823 0.065 0.000 0.748 102 V HN 0.947 nan 8.190 nan 0.000 0.474 103 S N -0.333 115.323 115.700 -0.074 0.000 2.595 103 S HA 0.735 5.205 4.470 -0.000 0.000 0.270 103 S C -0.940 173.580 174.600 -0.133 0.000 1.145 103 S CA -0.881 57.274 58.200 -0.076 0.000 0.825 103 S CB 2.761 65.903 63.200 -0.097 0.000 1.107 103 S HN 0.460 nan 8.310 nan 0.000 0.461 104 R N 0.221 120.660 120.500 -0.102 0.000 2.634 104 R HA 0.693 5.032 4.340 -0.000 0.000 0.263 104 R C -1.923 174.305 176.300 -0.120 0.000 1.060 104 R CA 0.007 56.040 56.100 -0.112 0.000 0.898 104 R CB 1.690 31.930 30.300 -0.099 0.000 1.253 104 R HN 1.433 nan 8.270 nan 0.000 0.461 105 S N 3.338 118.954 115.700 -0.140 0.000 2.533 105 S HA 0.706 5.176 4.470 -0.000 0.000 0.271 105 S C -1.353 173.118 174.600 -0.214 0.000 1.143 105 S CA -0.887 57.190 58.200 -0.205 0.000 0.891 105 S CB 1.599 64.659 63.200 -0.234 0.000 1.105 105 S HN 0.443 nan 8.310 nan 0.000 0.468 106 L N 1.896 122.941 121.223 -0.297 0.000 2.422 106 L HA 0.803 5.142 4.340 -0.000 0.000 0.264 106 L C -0.223 176.499 176.870 -0.247 0.000 0.984 106 L CA -0.677 53.991 54.840 -0.287 0.000 0.819 106 L CB 2.780 44.523 42.059 -0.525 0.000 1.330 106 L HN 0.993 nan 8.230 nan 0.000 0.410 107 T N -0.724 113.751 114.554 -0.132 0.000 2.885 107 T HA 0.830 5.180 4.350 -0.000 0.000 0.285 107 T C -0.743 173.953 174.700 -0.005 0.000 1.019 107 T CA -0.778 61.277 62.100 -0.076 0.000 1.010 107 T CB 1.944 70.785 68.868 -0.045 0.000 1.022 107 T HN 0.233 nan 8.240 nan 0.000 0.466 108 V N 3.862 123.794 119.914 0.031 0.000 2.483 108 V HA 0.805 4.925 4.120 -0.000 0.000 0.297 108 V C -0.158 175.967 176.094 0.052 0.000 1.027 108 V CA -0.905 61.440 62.300 0.075 0.000 0.855 108 V CB 1.264 33.177 31.823 0.150 0.000 0.995 108 V HN 1.193 nan 8.190 nan 0.000 0.424 109 R N 2.086 122.601 120.500 0.026 0.000 2.690 109 R HA 0.640 4.980 4.340 -0.000 0.000 0.269 109 R C -1.054 175.234 176.300 -0.020 0.000 1.037 109 R CA -0.566 55.542 56.100 0.012 0.000 0.877 109 R CB 1.723 32.035 30.300 0.019 0.000 1.255 109 R HN 0.491 nan 8.270 nan 0.000 0.467 110 S N -0.041 115.641 115.700 -0.029 0.000 2.565 110 S HA 0.189 4.658 4.470 -0.000 0.000 0.276 110 S C 0.630 175.213 174.600 -0.029 0.000 1.326 110 S CA 0.147 58.317 58.200 -0.051 0.000 1.045 110 S CB 0.742 63.911 63.200 -0.051 0.000 0.918 110 S HN 0.697 nan 8.310 nan 0.000 0.505 111 S N 2.219 117.900 115.700 -0.032 0.000 2.733 111 S HA 0.353 4.823 4.470 -0.000 0.000 0.247 111 S C 0.252 174.841 174.600 -0.018 0.000 1.043 111 S CA -0.419 57.769 58.200 -0.019 0.000 1.066 111 S CB 0.383 63.573 63.200 -0.017 0.000 1.045 111 S HN 0.569 nan 8.310 nan 0.000 0.586 112 T N 2.248 116.787 114.554 -0.025 0.000 2.816 112 T HA 0.715 5.065 4.350 -0.000 0.000 0.299 112 T C -2.361 172.327 174.700 -0.020 0.000 1.230 112 T CA -0.740 61.348 62.100 -0.020 0.000 1.007 112 T CB 1.707 70.562 68.868 -0.021 0.000 1.289 112 T HN 0.511 nan 8.240 nan 0.000 0.508 113 L N 0.501 121.716 121.223 -0.014 0.000 2.661 113 L HA 0.633 4.973 4.340 -0.000 0.000 0.263 113 L C -2.174 174.691 176.870 -0.007 0.000 0.956 113 L CA -1.483 53.350 54.840 -0.011 0.000 0.918 113 L CB -0.533 41.522 42.059 -0.008 0.000 1.280 113 L HN 0.411 nan 8.230 nan 0.000 0.416 121 N N -0.100 118.605 118.700 0.009 0.000 2.905 121 N HA 0.584 5.324 4.740 -0.000 0.000 0.255 121 N C -0.634 174.884 175.510 0.014 0.000 1.199 121 N CA -0.231 52.824 53.050 0.008 0.000 0.911 121 N CB 1.794 40.282 38.487 0.001 0.000 1.550 121 N HN 1.086 nan 8.380 nan 0.000 0.599 122 G N 0.821 109.634 108.800 0.021 0.000 2.570 122 G HA2 0.230 4.189 3.960 -0.000 0.000 0.686 122 G HA3 0.230 4.189 3.960 -0.000 0.000 0.686 122 G C -0.684 174.255 174.900 0.066 0.000 1.257 122 G CA -0.457 44.665 45.100 0.036 0.000 0.846 122 G HN 1.238 nan 8.290 nan 0.000 0.627 123 T N -1.998 112.616 114.554 0.099 0.000 2.883 123 T HA 0.814 5.164 4.350 -0.000 0.000 0.296 123 T C -0.327 174.560 174.700 0.312 0.000 1.117 123 T CA -0.798 61.407 62.100 0.175 0.000 1.006 123 T CB 2.249 71.228 68.868 0.186 0.000 1.191 123 T HN 1.067 nan 8.240 nan 0.000 0.508 124 I N 1.499 122.257 120.570 0.314 0.000 2.608 124 I HA 0.515 4.685 4.170 -0.000 0.000 0.295 124 I C -0.917 175.305 176.117 0.175 0.000 1.049 124 I CA -1.018 60.478 61.300 0.327 0.000 1.063 124 I CB 2.267 40.398 38.000 0.218 0.000 1.248 124 I HN 0.558 nan 8.210 nan 0.000 0.424 125 N N 3.697 122.392 118.700 -0.009 0.000 2.284 125 N HA 0.822 5.562 4.740 -0.000 0.000 0.300 125 N C -1.333 174.107 175.510 -0.117 0.000 1.047 125 N CA -0.497 52.406 53.050 -0.245 0.000 0.821 125 N CB 2.399 40.444 38.487 -0.738 0.000 1.337 125 N HN 0.714 nan 8.380 nan 0.000 0.482 126 A N 0.747 123.519 122.820 -0.080 0.000 2.515 126 A HA 0.808 5.127 4.320 -0.000 0.000 0.298 126 A C -1.360 176.195 177.584 -0.049 0.000 1.059 126 A CA -0.677 51.340 52.037 -0.033 0.000 0.698 126 A CB 1.532 20.545 19.000 0.021 0.000 1.289 126 A HN 0.430 nan 8.150 nan 0.000 0.404 127 V N 0.663 120.559 119.914 -0.031 0.000 3.120 127 V HA 0.758 4.878 4.120 -0.000 0.000 0.303 127 V C -1.004 175.100 176.094 0.017 0.000 1.238 127 V CA -0.179 62.107 62.300 -0.023 0.000 1.008 127 V CB 2.561 34.363 31.823 -0.034 0.000 1.064 127 V HN 1.028 nan 8.190 nan 0.000 0.434 128 T N 6.211 120.782 114.554 0.029 0.000 2.772 128 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 128 T C -0.960 173.820 174.700 0.133 0.000 0.994 128 T CA 0.038 62.176 62.100 0.063 0.000 0.951 128 T CB 0.594 69.472 68.868 0.015 0.000 0.933 128 T HN 0.549 nan 8.240 nan 0.000 0.447 129 F N 2.738 122.671 119.950 -0.027 0.000 2.404 129 F HA 0.332 4.858 4.527 -0.000 0.000 0.339 129 F C 1.191 176.986 175.800 -0.007 0.000 1.105 129 F CA -0.808 57.179 58.000 -0.021 0.000 1.087 129 F CB 1.323 40.311 39.000 -0.021 0.000 1.143 129 F HN 0.488 nan 8.300 nan 0.000 0.491 130 Q N 3.816 123.272 119.800 -0.574 0.000 2.373 130 Q HA 0.190 4.530 4.340 -0.000 0.000 0.206 130 Q C 0.527 176.068 176.000 -0.765 0.000 0.942 130 Q CA 0.223 55.705 55.803 -0.535 0.000 0.953 130 Q CB 0.198 28.731 28.738 -0.341 0.000 1.022 130 Q HN 0.914 nan 8.270 nan 0.000 0.502 131 G N -0.077 107.867 108.800 -1.426 0.000 3.209 131 G HA2 0.442 4.402 3.960 -0.000 0.000 0.236 131 G HA3 0.442 4.402 3.960 -0.000 0.000 0.236 131 G C -0.606 174.280 174.900 -0.023 0.000 1.329 131 G CA -0.475 44.220 45.100 -0.676 0.000 1.015 131 G HN 0.210 nan 8.290 nan 0.000 0.571 132 S N -1.052 114.786 115.700 0.229 0.000 2.722 132 S HA 0.404 4.874 4.470 -0.000 0.000 0.292 132 S C 1.258 176.072 174.600 0.357 0.000 1.135 132 S CA -0.556 57.819 58.200 0.291 0.000 1.003 132 S CB 1.566 64.899 63.200 0.221 0.000 1.067 132 S HN 0.565 nan 8.310 nan 0.000 0.546 133 L N 1.911 123.286 121.223 0.253 0.000 1.991 133 L HA -0.188 4.151 4.340 -0.000 0.000 0.221 133 L C 2.613 179.542 176.870 0.098 0.000 1.079 133 L CA 2.818 57.722 54.840 0.107 0.000 0.778 133 L CB -1.352 40.725 42.059 0.030 0.000 0.893 133 L HN 1.013 nan 8.230 nan 0.000 0.437 134 S N -1.828 113.958 115.700 0.144 0.000 2.507 134 S HA -0.144 4.325 4.470 -0.000 0.000 0.235 134 S C 1.591 176.268 174.600 0.129 0.000 0.988 134 S CA 1.099 59.378 58.200 0.131 0.000 0.944 134 S CB -0.657 62.606 63.200 0.104 0.000 0.762 134 S HN 0.687 nan 8.310 nan 0.000 0.526 135 E N 0.397 120.717 120.200 0.200 0.000 2.435 135 E HA 0.227 4.577 4.350 -0.000 0.000 0.195 135 E C -0.135 176.550 176.600 0.141 0.000 1.029 135 E CA -0.199 56.351 56.400 0.250 0.000 0.865 135 E CB -0.081 29.856 29.700 0.394 0.000 0.833 135 E HN 0.538 nan 8.360 nan 0.000 0.510 136 L N 1.498 122.639 121.223 -0.137 0.000 2.490 136 L HA -0.030 4.310 4.340 -0.000 0.000 0.274 136 L C 1.781 178.551 176.870 -0.166 0.000 1.201 136 L CA 0.310 54.877 54.840 -0.454 0.000 0.869 136 L CB 0.717 42.471 42.059 -0.509 0.000 1.123 136 L HN 0.119 nan 8.230 nan 0.000 0.484 137 T N -2.678 111.787 114.554 -0.149 0.000 3.057 137 T HA 0.054 4.403 4.350 -0.000 0.000 0.254 137 T C 0.275 174.940 174.700 -0.058 0.000 1.094 137 T CA 0.052 62.117 62.100 -0.059 0.000 1.088 137 T CB 0.129 68.983 68.868 -0.022 0.000 0.934 137 T HN 0.546 nan 8.240 nan 0.000 0.497 138 D N 0.779 121.126 120.400 -0.087 0.000 2.891 138 D HA 0.228 4.867 4.640 -0.000 0.000 0.224 138 D C 0.047 176.313 176.300 -0.056 0.000 1.321 138 D CA -0.560 53.408 54.000 -0.053 0.000 0.929 138 D CB 2.198 42.970 40.800 -0.046 0.000 1.551 138 D HN 0.098 nan 8.370 nan 0.000 0.574 139 V N 1.571 121.491 119.914 0.011 0.000 3.085 139 V HA 0.346 4.466 4.120 -0.000 0.000 0.345 139 V C 0.596 176.770 176.094 0.134 0.000 1.397 139 V CA 0.067 62.399 62.300 0.053 0.000 1.165 139 V CB -0.341 31.572 31.823 0.151 0.000 1.153 139 V HN 0.427 nan 8.190 nan 0.000 0.495 140 S N -0.832 114.922 115.700 0.090 0.000 2.614 140 S HA 0.316 4.786 4.470 -0.000 0.000 0.265 140 S C 0.818 175.487 174.600 0.115 0.000 1.303 140 S CA 0.237 58.506 58.200 0.115 0.000 1.000 140 S CB 0.748 63.986 63.200 0.063 0.000 0.935 140 S HN 0.488 nan 8.310 nan 0.000 0.551 141 Y N 2.231 122.548 120.300 0.028 0.000 2.069 141 Y HA -0.269 4.281 4.550 -0.000 0.000 0.278 141 Y C 2.089 177.993 175.900 0.007 0.000 1.175 141 Y CA 2.568 60.677 58.100 0.015 0.000 1.134 141 Y CB -0.459 38.005 38.460 0.006 0.000 0.965 141 Y HN 0.700 nan 8.280 nan 0.000 0.498 142 N N -0.314 118.435 118.700 0.081 0.000 2.333 142 N HA -0.038 4.702 4.740 -0.000 0.000 0.178 142 N C 2.011 177.490 175.510 -0.051 0.000 1.018 142 N CA 1.040 54.079 53.050 -0.018 0.000 0.882 142 N CB -0.700 37.838 38.487 0.085 0.000 0.984 142 N HN 0.537 nan 8.380 nan 0.000 0.434 143 G N 2.007 110.793 108.800 -0.023 0.000 2.422 143 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.218 143 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.218 143 G C 1.664 176.524 174.900 -0.067 0.000 1.146 143 G CA 0.300 45.379 45.100 -0.035 0.000 0.769 143 G HN 0.208 nan 8.290 nan 0.000 0.547 144 L N 0.253 121.421 121.223 -0.092 0.000 2.089 144 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 144 L C 2.891 179.700 176.870 -0.102 0.000 1.079 144 L CA 0.926 55.697 54.840 -0.115 0.000 0.758 144 L CB -0.484 41.491 42.059 -0.140 0.000 0.891 144 L HN 0.191 nan 8.230 nan 0.000 0.433 145 M N -0.911 118.623 119.600 -0.110 0.000 2.530 145 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 145 M C 1.770 178.037 176.300 -0.054 0.000 1.067 145 M CA 1.277 56.524 55.300 -0.088 0.000 1.071 145 M CB -1.039 31.506 32.600 -0.092 0.000 1.405 145 M HN 0.187 nan 8.290 nan 0.000 0.478 146 S N -0.388 115.284 115.700 -0.045 0.000 2.559 146 S HA 0.324 4.794 4.470 -0.000 0.000 0.226 146 S C 1.839 176.437 174.600 -0.003 0.000 1.000 146 S CA 0.316 58.502 58.200 -0.023 0.000 0.948 146 S CB 0.210 63.399 63.200 -0.020 0.000 0.870 146 S HN 0.500 nan 8.310 nan 0.000 0.497 147 A N 1.586 124.398 122.820 -0.014 0.000 2.032 147 A HA 0.001 4.321 4.320 -0.000 0.000 0.221 147 A C 1.360 179.041 177.584 0.162 0.000 1.165 147 A CA 1.616 53.673 52.037 0.033 0.000 0.645 147 A CB -0.217 18.750 19.000 -0.055 0.000 0.807 147 A HN 0.420 nan 8.150 nan 0.000 0.453 148 T N -4.071 110.536 114.554 0.088 0.000 2.896 148 T HA 0.564 4.914 4.350 -0.000 0.000 0.297 148 T C 0.383 175.093 174.700 0.017 0.000 1.108 148 T CA 0.090 62.231 62.100 0.069 0.000 1.004 148 T CB 1.723 70.621 68.868 0.050 0.000 1.159 148 T HN 0.459 nan 8.240 nan 0.000 0.499 149 A N 2.662 125.483 122.820 0.003 0.000 2.195 149 A HA 0.306 4.625 4.320 -0.000 0.000 0.210 149 A C 0.673 178.238 177.584 -0.030 0.000 1.165 149 A CA -0.056 51.973 52.037 -0.014 0.000 0.806 149 A CB -0.225 18.768 19.000 -0.013 0.000 0.847 149 A HN 0.729 nan 8.150 nan 0.000 0.482 150 N N 0.834 119.511 118.700 -0.037 0.000 2.431 150 N HA 0.101 4.841 4.740 -0.000 0.000 0.265 150 N C 0.571 176.036 175.510 -0.074 0.000 1.184 150 N CA -0.217 52.798 53.050 -0.058 0.000 0.943 150 N CB 1.178 39.626 38.487 -0.065 0.000 1.080 150 N HN 0.194 nan 8.380 nan 0.000 0.477 151 I N 2.278 122.800 120.570 -0.081 0.000 2.454 151 I HA -0.158 4.012 4.170 -0.000 0.000 0.254 151 I C 1.082 177.115 176.117 -0.139 0.000 1.156 151 I CA 1.160 62.402 61.300 -0.096 0.000 1.433 151 I CB -0.155 37.794 38.000 -0.086 0.000 1.082 151 I HN 0.399 nan 8.210 nan 0.000 0.432 152 N N 0.524 119.128 118.700 -0.159 0.000 2.370 152 N HA -0.002 4.738 4.740 -0.000 0.000 0.198 152 N C 0.162 175.533 175.510 -0.233 0.000 1.156 152 N CA 0.403 53.311 53.050 -0.236 0.000 0.839 152 N CB 0.066 38.406 38.487 -0.247 0.000 0.989 152 N HN 0.401 nan 8.380 nan 0.000 0.468 153 D N 0.354 120.659 120.400 -0.158 0.000 2.535 153 D HA 0.089 4.728 4.640 -0.000 0.000 0.229 153 D C 0.072 176.315 176.300 -0.094 0.000 1.238 153 D CA 0.184 54.111 54.000 -0.122 0.000 0.824 153 D CB 0.845 41.598 40.800 -0.078 0.000 1.045 153 D HN 0.391 nan 8.370 nan 0.000 0.500 154 K N -0.244 120.089 120.400 -0.113 0.000 2.532 154 K HA 0.681 5.000 4.320 -0.000 0.000 0.265 154 K C -1.457 175.082 176.600 -0.103 0.000 0.948 154 K CA -0.936 55.297 56.287 -0.090 0.000 0.842 154 K CB 2.649 35.104 32.500 -0.074 0.000 1.392 154 K HN -0.163 nan 8.250 nan 0.000 0.436 155 I N 0.542 121.063 120.570 -0.083 0.000 2.680 155 I HA 0.490 4.660 4.170 -0.000 0.000 0.291 155 I C -1.316 174.768 176.117 -0.054 0.000 1.244 155 I CA 0.012 61.272 61.300 -0.066 0.000 1.042 155 I CB 2.327 40.296 38.000 -0.052 0.000 1.277 155 I HN 0.875 nan 8.210 nan 0.000 0.423 156 G N 4.311 113.087 108.800 -0.040 0.000 2.452 156 G HA2 0.431 4.391 3.960 -0.000 0.000 0.324 156 G HA3 0.431 4.391 3.960 -0.000 0.000 0.324 156 G C -0.397 174.515 174.900 0.020 0.000 1.214 156 G CA -0.540 44.539 45.100 -0.036 0.000 0.947 156 G HN 0.679 nan 8.290 nan 0.000 0.478 157 N N -0.538 118.199 118.700 0.062 0.000 2.727 157 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 157 N C 0.418 175.993 175.510 0.108 0.000 1.048 157 N CA 0.702 53.833 53.050 0.135 0.000 0.714 157 N CB -1.008 37.554 38.487 0.124 0.000 0.959 157 N HN 0.396 nan 8.380 nan 0.000 0.544 158 V N 0.870 120.845 119.914 0.102 0.000 2.715 158 V HA 0.107 4.227 4.120 -0.000 0.000 0.299 158 V C 1.415 177.570 176.094 0.102 0.000 1.054 158 V CA -0.503 61.851 62.300 0.091 0.000 1.077 158 V CB 1.182 33.058 31.823 0.088 0.000 0.972 158 V HN 0.162 nan 8.190 nan 0.000 0.484 159 L N 4.235 125.507 121.223 0.082 0.000 2.410 159 L HA 0.104 4.444 4.340 -0.000 0.000 0.273 159 L C 1.491 178.404 176.870 0.072 0.000 1.144 159 L CA 0.161 55.044 54.840 0.073 0.000 0.863 159 L CB 0.988 43.080 42.059 0.055 0.000 1.140 159 L HN 0.570 nan 8.230 nan 0.000 0.463 160 V N 4.688 124.645 119.914 0.071 0.000 2.453 160 V HA -0.226 3.894 4.120 -0.000 0.000 0.252 160 V C 2.080 178.194 176.094 0.033 0.000 1.068 160 V CA 2.492 64.826 62.300 0.057 0.000 1.070 160 V CB -0.280 31.565 31.823 0.038 0.000 0.664 160 V HN 1.070 nan 8.190 nan 0.000 0.461 161 G N -1.269 107.548 108.800 0.028 0.000 2.422 161 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 161 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 161 G C 1.378 176.296 174.900 0.029 0.000 1.140 161 G CA 0.825 45.937 45.100 0.021 0.000 0.775 161 G HN 0.617 nan 8.290 nan 0.000 0.545 162 E N -0.481 119.744 120.200 0.041 0.000 2.076 162 E HA 0.334 4.683 4.350 -0.000 0.000 0.190 162 E C 1.404 178.036 176.600 0.054 0.000 0.979 162 E CA 0.329 56.758 56.400 0.048 0.000 0.807 162 E CB 0.051 29.785 29.700 0.057 0.000 0.761 162 E HN 0.459 nan 8.360 nan 0.000 0.454 163 G N 0.074 108.909 108.800 0.059 0.000 2.707 163 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 163 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 163 G C -0.865 174.081 174.900 0.076 0.000 1.315 163 G CA -0.562 44.575 45.100 0.062 0.000 0.832 163 G HN 0.148 nan 8.290 nan 0.000 0.573 164 V N 0.478 120.436 119.914 0.073 0.000 2.735 164 V HA 0.832 4.952 4.120 -0.000 0.000 0.310 164 V C 0.327 176.438 176.094 0.028 0.000 1.061 164 V CA -0.184 62.162 62.300 0.077 0.000 0.913 164 V CB 2.407 34.284 31.823 0.090 0.000 1.005 164 V HN 1.159 nan 8.190 nan 0.000 0.428 165 T N 3.652 118.217 114.554 0.018 0.000 2.792 165 T HA 0.515 4.865 4.350 -0.000 0.000 0.280 165 T C -0.596 174.048 174.700 -0.093 0.000 0.990 165 T CA -0.315 61.704 62.100 -0.135 0.000 0.960 165 T CB 1.515 70.144 68.868 -0.397 0.000 0.939 165 T HN 0.339 nan 8.240 nan 0.000 0.439 166 V N 4.838 124.637 119.914 -0.191 0.000 2.383 166 V HA 0.461 4.581 4.120 -0.000 0.000 0.275 166 V C -0.296 175.679 176.094 -0.199 0.000 1.036 166 V CA -0.717 61.482 62.300 -0.169 0.000 0.889 166 V CB 1.080 32.714 31.823 -0.314 0.000 0.985 166 V HN 0.637 nan 8.190 nan 0.000 0.459 167 L N 4.767 125.943 121.223 -0.078 0.000 2.322 167 L HA 0.614 4.953 4.340 -0.000 0.000 0.281 167 L C 0.221 177.071 176.870 -0.033 0.000 1.014 167 L CA 0.320 55.112 54.840 -0.080 0.000 0.815 167 L CB 2.108 44.191 42.059 0.039 0.000 1.247 167 L HN 0.609 nan 8.230 nan 0.000 0.421 168 S N 5.414 121.086 115.700 -0.046 0.000 2.439 168 S HA 0.582 5.052 4.470 -0.000 0.000 0.282 168 S C -0.489 174.113 174.600 0.003 0.000 1.170 168 S CA -0.564 57.625 58.200 -0.018 0.000 1.054 168 S CB -0.190 63.000 63.200 -0.017 0.000 0.956 168 S HN 0.575 nan 8.310 nan 0.000 0.490 169 L N 6.683 127.906 121.223 0.000 0.000 2.331 169 L HA 0.552 4.892 4.340 -0.000 0.000 0.275 169 L C -1.657 175.194 176.870 -0.032 0.000 1.022 169 L CA -2.302 52.537 54.840 -0.001 0.000 0.812 169 L CB 1.401 43.451 42.059 -0.016 0.000 1.257 169 L HN 0.541 nan 8.230 nan 0.000 0.435 170 P HA 0.010 nan 4.420 nan 0.000 0.266 170 P C -0.386 176.770 177.300 -0.241 0.000 1.193 170 P CA -0.040 62.925 63.100 -0.225 0.000 0.770 170 P CB 0.568 31.910 31.700 -0.597 0.000 0.836 171 T N -1.941 112.465 114.554 -0.248 0.000 3.514 171 T HA 0.474 4.824 4.350 -0.000 0.000 0.259 171 T C -0.156 174.385 174.700 -0.264 0.000 1.466 171 T CA -0.613 61.363 62.100 -0.207 0.000 1.562 171 T CB -0.852 67.935 68.868 -0.135 0.000 0.924 171 T HN 0.720 nan 8.240 nan 0.000 0.678 172 S N 0.340 115.826 115.700 -0.357 0.000 3.054 172 S HA -0.077 4.393 4.470 -0.000 0.000 0.850 172 S C -1.092 173.262 174.600 -0.410 0.000 0.982 172 S CA -0.770 57.231 58.200 -0.331 0.000 1.324 172 S CB -0.858 62.209 63.200 -0.221 0.000 0.940 172 S HN 0.679 nan 8.310 nan 0.000 0.242 173 Y N 1.332 121.595 120.300 -0.061 0.000 2.730 173 Y HA 0.486 5.036 4.550 -0.000 0.000 0.325 173 Y C 1.053 176.914 175.900 -0.066 0.000 1.132 173 Y CA -0.431 57.632 58.100 -0.063 0.000 1.206 173 Y CB 0.768 39.193 38.460 -0.058 0.000 1.390 173 Y HN 0.826 nan 8.280 nan 0.000 0.555 174 D N 0.810 121.306 120.400 0.159 0.000 2.870 174 D HA -0.180 4.459 4.640 -0.000 0.000 0.228 174 D C -1.066 175.261 176.300 0.044 0.000 1.147 174 D CA 0.751 54.793 54.000 0.071 0.000 0.757 174 D CB -1.037 39.794 40.800 0.053 0.000 1.091 174 D HN 0.266 nan 8.370 nan 0.000 0.429 175 L N 0.009 121.255 121.223 0.038 0.000 2.395 175 L HA 0.452 4.792 4.340 -0.000 0.000 0.269 175 L C 1.831 178.775 176.870 0.124 0.000 1.133 175 L CA -0.048 54.794 54.840 0.003 0.000 0.812 175 L CB 1.025 43.025 42.059 -0.100 0.000 1.125 175 L HN 0.038 nan 8.230 nan 0.000 0.452 176 G N 0.684 109.620 108.800 0.227 0.000 2.616 176 G HA2 0.187 4.147 3.960 -0.000 0.000 0.268 176 G HA3 0.187 4.147 3.960 -0.000 0.000 0.268 176 G C -0.955 174.110 174.900 0.275 0.000 1.213 176 G CA -0.322 44.938 45.100 0.267 0.000 0.926 176 G HN 0.332 nan 8.290 nan 0.000 0.523 177 Y N -1.109 119.253 120.300 0.103 0.000 2.336 177 Y HA 0.331 4.881 4.550 -0.000 0.000 0.331 177 Y C 0.799 176.756 175.900 0.095 0.000 1.211 177 Y CA -0.062 58.094 58.100 0.093 0.000 1.346 177 Y CB 1.362 39.850 38.460 0.046 0.000 1.271 177 Y HN 0.151 nan 8.280 nan 0.000 0.538 178 V N 4.270 124.240 119.914 0.093 0.000 2.483 178 V HA 0.393 4.513 4.120 -0.000 0.000 0.295 178 V C -0.093 176.009 176.094 0.014 0.000 1.035 178 V CA -1.186 61.053 62.300 -0.102 0.000 0.896 178 V CB 1.540 33.059 31.823 -0.506 0.000 0.986 178 V HN 0.558 nan 8.190 nan 0.000 0.447 179 R N 2.786 123.236 120.500 -0.084 0.000 2.491 179 R HA 0.299 4.639 4.340 -0.000 0.000 0.283 179 R C 0.499 176.653 176.300 -0.244 0.000 1.072 179 R CA 0.179 56.060 56.100 -0.365 0.000 1.048 179 R CB 0.329 30.461 30.300 -0.280 0.000 0.983 179 R HN 0.707 nan 8.270 nan 0.000 0.450 180 L N 3.236 124.310 121.223 -0.249 0.000 2.591 180 L HA 0.230 4.570 4.340 -0.000 0.000 0.228 180 L C 0.965 177.792 176.870 -0.073 0.000 1.133 180 L CA 0.695 55.458 54.840 -0.130 0.000 0.880 180 L CB 0.120 42.125 42.059 -0.089 0.000 1.033 180 L HN 1.088 nan 8.230 nan 0.000 0.450 181 G N 0.960 109.703 108.800 -0.095 0.000 2.212 181 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.255 181 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.255 181 G C -0.134 174.739 174.900 -0.045 0.000 1.062 181 G CA 0.218 45.287 45.100 -0.051 0.000 0.815 181 G HN 0.532 nan 8.290 nan 0.000 0.497 182 D N -0.040 120.316 120.400 -0.073 0.000 2.341 182 D HA 0.424 5.064 4.640 -0.000 0.000 0.245 182 D C -2.442 173.828 176.300 -0.050 0.000 1.106 182 D CA -1.665 52.299 54.000 -0.059 0.000 0.905 182 D CB 1.291 42.042 40.800 -0.081 0.000 1.202 182 D HN 0.169 nan 8.370 nan 0.000 0.426 183 P HA 0.171 nan 4.420 nan 0.000 0.271 183 P C -0.166 177.114 177.300 -0.033 0.000 1.218 183 P CA -0.287 62.796 63.100 -0.029 0.000 0.780 183 P CB 0.589 32.276 31.700 -0.022 0.000 0.901 184 I N -0.594 119.959 120.570 -0.029 0.000 2.750 184 I HA 0.683 4.853 4.170 -0.000 0.000 0.308 184 I C -2.509 173.596 176.117 -0.020 0.000 1.016 184 I CA -3.339 57.946 61.300 -0.026 0.000 1.098 184 I CB 1.327 39.311 38.000 -0.027 0.000 1.279 184 I HN 0.075 nan 8.210 nan 0.000 0.454 185 P HA 0.382 nan 4.420 nan 0.000 0.267 185 P C -0.993 176.300 177.300 -0.011 0.000 1.209 185 P CA 0.060 63.151 63.100 -0.014 0.000 0.763 185 P CB 0.706 32.399 31.700 -0.012 0.000 0.816 186 A N 3.242 126.056 122.820 -0.010 0.000 2.582 186 A HA 0.666 4.986 4.320 -0.000 0.000 0.297 186 A C -1.050 176.530 177.584 -0.007 0.000 1.059 186 A CA -0.675 51.357 52.037 -0.008 0.000 0.705 186 A CB 0.884 19.878 19.000 -0.009 0.000 1.279 186 A HN 0.534 nan 8.150 nan 0.000 0.404 187 I N -0.539 120.027 120.570 -0.005 0.000 2.689 187 I HA 0.982 5.152 4.170 -0.000 0.000 0.299 187 I C 0.138 176.253 176.117 -0.004 0.000 1.059 187 I CA -0.930 60.367 61.300 -0.004 0.000 1.055 187 I CB 2.386 40.384 38.000 -0.004 0.000 1.243 187 I HN 0.980 nan 8.210 nan 0.000 0.425 188 G N 3.824 112.622 108.800 -0.003 0.000 2.698 188 G HA2 0.456 4.416 3.960 -0.000 0.000 0.293 188 G HA3 0.456 4.416 3.960 -0.000 0.000 0.293 188 G C -0.109 174.790 174.900 -0.002 0.000 1.437 188 G CA -0.837 44.261 45.100 -0.002 0.000 0.852 188 G HN 0.706 nan 8.290 nan 0.000 0.499 189 L N -0.326 120.896 121.223 -0.002 0.000 2.141 189 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 189 L C 0.873 177.742 176.870 -0.001 0.000 1.094 189 L CA 0.713 55.552 54.840 -0.001 0.000 0.763 189 L CB 0.071 42.129 42.059 -0.001 0.000 0.908 189 L HN 0.393 nan 8.230 nan 0.000 0.437 190 D N -0.142 120.258 120.400 -0.001 0.000 2.312 190 D HA 0.092 4.731 4.640 -0.000 0.000 0.252 190 D C -1.639 174.661 176.300 0.000 0.000 1.150 190 D CA -1.895 52.105 54.000 -0.000 0.000 0.870 190 D CB 1.814 42.614 40.800 -0.000 0.000 1.153 190 D HN -0.105 nan 8.370 nan 0.000 0.457 191 P HA -0.018 nan 4.420 nan 0.000 0.221 191 P C 0.475 177.776 177.300 0.002 0.000 1.150 191 P CA 0.934 64.035 63.100 0.002 0.000 0.800 191 P CB 0.301 32.003 31.700 0.002 0.000 0.787 192 K N -1.135 119.267 120.400 0.003 0.000 2.476 192 K HA 0.126 4.445 4.320 -0.000 0.000 0.196 192 K C 0.878 177.480 176.600 0.003 0.000 1.025 192 K CA -0.189 56.100 56.287 0.004 0.000 1.138 192 K CB -0.235 32.267 32.500 0.005 0.000 0.860 192 K HN 0.184 nan 8.250 nan 0.000 0.515 193 M N 2.050 121.651 119.600 0.001 0.000 2.248 193 M HA 0.040 4.520 4.480 -0.000 0.000 0.345 193 M C -0.887 175.413 176.300 0.000 0.000 1.243 193 M CA 0.609 55.909 55.300 0.001 0.000 1.090 193 M CB 0.577 33.177 32.600 -0.001 0.000 1.683 193 M HN -0.201 nan 8.290 nan 0.000 0.450 194 V N 4.465 124.380 119.914 0.000 0.000 2.638 194 V HA 0.800 4.920 4.120 -0.000 0.000 0.306 194 V C -0.617 175.475 176.094 -0.004 0.000 1.052 194 V CA -0.882 61.417 62.300 -0.001 0.000 0.885 194 V CB 1.670 33.494 31.823 0.003 0.000 0.999 194 V HN 0.967 nan 8.190 nan 0.000 0.424 195 A N 3.120 125.936 122.820 -0.008 0.000 2.375 195 A HA 0.914 5.233 4.320 -0.000 0.000 0.295 195 A C -0.254 177.319 177.584 -0.018 0.000 1.066 195 A CA -0.299 51.730 52.037 -0.012 0.000 0.722 195 A CB 1.697 20.689 19.000 -0.013 0.000 1.206 195 A HN 0.987 nan 8.150 nan 0.000 0.435 196 T N -1.850 112.690 114.554 -0.024 0.000 2.901 196 T HA 0.583 4.933 4.350 -0.000 0.000 0.293 196 T C -0.651 174.019 174.700 -0.050 0.000 1.084 196 T CA -0.738 61.342 62.100 -0.034 0.000 1.008 196 T CB 1.358 70.210 68.868 -0.026 0.000 1.170 196 T HN 1.209 nan 8.240 nan 0.000 0.509 197 C N 2.674 121.934 119.300 -0.067 0.000 2.251 197 C HA 0.625 5.085 4.460 -0.000 0.000 0.323 197 C C -0.630 174.298 174.990 -0.102 0.000 1.241 197 C CA -0.437 58.530 59.018 -0.086 0.000 1.601 197 C CB -1.379 26.303 27.740 -0.097 0.000 2.251 197 C HN 0.875 nan 8.230 nan 0.000 0.488 198 D N 2.717 123.059 120.400 -0.098 0.000 2.332 198 D HA 0.224 4.864 4.640 -0.000 0.000 0.252 198 D C -0.029 176.222 176.300 -0.082 0.000 1.050 198 D CA 0.172 54.122 54.000 -0.083 0.000 0.970 198 D CB 1.637 42.397 40.800 -0.067 0.000 1.141 198 D HN 0.612 nan 8.370 nan 0.000 0.485 199 S N -0.153 115.511 115.700 -0.060 0.000 2.555 199 S HA 0.113 4.583 4.470 -0.000 0.000 0.293 199 S C 0.813 175.409 174.600 -0.007 0.000 1.248 199 S CA 0.185 58.343 58.200 -0.069 0.000 1.096 199 S CB -0.085 63.064 63.200 -0.086 0.000 0.881 199 S HN 0.443 nan 8.310 nan 0.000 0.498 200 S N 2.708 118.406 115.700 -0.003 0.000 3.019 200 S HA 0.199 4.668 4.470 -0.000 0.000 0.258 200 S C -0.331 174.313 174.600 0.073 0.000 1.082 200 S CA -0.450 57.777 58.200 0.046 0.000 0.836 200 S CB -0.689 62.506 63.200 -0.009 0.000 0.834 200 S HN 0.676 nan 8.310 nan 0.000 0.457 201 D N 3.314 123.753 120.400 0.066 0.000 2.571 201 D HA 0.240 4.880 4.640 -0.000 0.000 0.231 201 D C 0.162 176.535 176.300 0.123 0.000 1.133 201 D CA 0.661 54.718 54.000 0.096 0.000 0.862 201 D CB -0.006 40.867 40.800 0.122 0.000 1.179 201 D HN 0.152 nan 8.370 nan 0.000 0.474 202 R N -0.418 120.146 120.500 0.107 0.000 3.184 202 R HA -0.106 4.234 4.340 -0.000 0.000 0.257 202 R C -2.438 173.908 176.300 0.077 0.000 0.999 202 R CA -0.022 56.136 56.100 0.096 0.000 0.670 202 R CB -1.859 28.528 30.300 0.146 0.000 1.197 202 R HN 0.469 nan 8.270 nan 0.000 0.419 203 P HA 0.040 nan 4.420 nan 0.000 0.270 203 P C -0.282 177.012 177.300 -0.011 0.000 1.223 203 P CA 0.010 63.138 63.100 0.046 0.000 0.785 203 P CB 0.698 32.435 31.700 0.061 0.000 0.923 204 R N 1.211 121.684 120.500 -0.046 0.000 2.460 204 R HA 0.533 4.873 4.340 -0.000 0.000 0.303 204 R C -1.414 174.783 176.300 -0.172 0.000 0.968 204 R CA -0.756 55.261 56.100 -0.138 0.000 0.889 204 R CB 1.019 31.222 30.300 -0.162 0.000 1.123 204 R HN 0.262 nan 8.270 nan 0.000 0.455 205 V N 5.326 125.098 119.914 -0.236 0.000 2.531 205 V HA 0.376 4.496 4.120 -0.000 0.000 0.301 205 V C -1.302 174.652 176.094 -0.233 0.000 1.034 205 V CA -0.700 61.501 62.300 -0.166 0.000 0.865 205 V CB 1.559 33.328 31.823 -0.089 0.000 0.995 205 V HN 0.695 nan 8.190 nan 0.000 0.424 206 Y N 1.791 122.062 120.300 -0.049 0.000 2.341 206 Y HA 0.581 5.131 4.550 -0.000 0.000 0.337 206 Y C 0.710 176.559 175.900 -0.085 0.000 1.014 206 Y CA -0.535 57.531 58.100 -0.058 0.000 1.111 206 Y CB 2.146 40.576 38.460 -0.051 0.000 1.194 206 Y HN 0.503 nan 8.280 nan 0.000 0.462 207 T N 5.546 120.129 114.554 0.049 0.000 2.770 207 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 207 T C -0.443 174.198 174.700 -0.098 0.000 0.988 207 T CA -0.495 61.581 62.100 -0.040 0.000 0.957 207 T CB 0.189 69.028 68.868 -0.048 0.000 0.930 207 T HN 0.378 nan 8.240 nan 0.000 0.443 208 I N 2.972 123.428 120.570 -0.189 0.000 2.382 208 I HA 0.276 4.445 4.170 -0.000 0.000 0.286 208 I C 0.205 176.127 176.117 -0.325 0.000 1.002 208 I CA -0.709 60.391 61.300 -0.333 0.000 1.135 208 I CB 1.778 39.422 38.000 -0.592 0.000 1.288 208 I HN 0.466 nan 8.210 nan 0.000 0.448 209 T N 5.728 120.125 114.554 -0.262 0.000 2.891 209 T HA 0.253 4.603 4.350 -0.000 0.000 0.315 209 T C 1.128 175.690 174.700 -0.230 0.000 1.054 209 T CA -0.356 61.627 62.100 -0.195 0.000 0.958 209 T CB 1.245 70.040 68.868 -0.122 0.000 1.008 209 T HN 0.760 nan 8.240 nan 0.000 0.521 210 A N 2.744 125.418 122.820 -0.243 0.000 2.014 210 A HA 0.568 4.888 4.320 -0.000 0.000 0.218 210 A C 1.211 178.781 177.584 -0.022 0.000 1.163 210 A CA 0.596 52.554 52.037 -0.133 0.000 0.652 210 A CB 0.072 19.125 19.000 0.089 0.000 0.808 210 A HN 0.907 nan 8.150 nan 0.000 0.449 211 A N -0.930 121.871 122.820 -0.031 0.000 2.577 211 A HA 0.541 4.861 4.320 -0.000 0.000 0.297 211 A C -1.911 175.683 177.584 0.016 0.000 1.060 211 A CA -0.260 51.793 52.037 0.027 0.000 0.697 211 A CB 1.019 20.068 19.000 0.082 0.000 1.281 211 A HN 0.042 nan 8.150 nan 0.000 0.402 212 D N 1.984 122.421 120.400 0.061 0.000 2.405 212 D HA 0.424 5.064 4.640 -0.000 0.000 0.264 212 D C -0.709 175.638 176.300 0.078 0.000 1.240 212 D CA 0.279 54.303 54.000 0.040 0.000 0.893 212 D CB 0.206 41.020 40.800 0.023 0.000 1.198 212 D HN 0.455 nan 8.370 nan 0.000 0.514 213 D N 1.803 122.246 120.400 0.072 0.000 2.746 213 D HA -0.280 4.360 4.640 -0.000 0.000 0.236 213 D C -0.629 175.747 176.300 0.127 0.000 1.129 213 D CA 0.436 54.485 54.000 0.082 0.000 0.691 213 D CB -1.659 39.179 40.800 0.064 0.000 1.077 213 D HN 0.459 nan 8.370 nan 0.000 0.432 214 Y N 1.018 121.363 120.300 0.075 0.000 2.442 214 Y HA 0.291 4.840 4.550 -0.000 0.000 0.330 214 Y C 0.576 176.566 175.900 0.151 0.000 1.129 214 Y CA 0.018 58.184 58.100 0.110 0.000 1.365 214 Y CB 0.612 39.159 38.460 0.145 0.000 1.233 214 Y HN -0.015 nan 8.280 nan 0.000 0.529 215 Q N 6.382 125.746 119.800 -0.726 0.000 2.331 215 Q HA 0.288 4.628 4.340 -0.000 0.000 0.257 215 Q C -1.581 173.885 176.000 -0.889 0.000 0.957 215 Q CA -0.483 54.975 55.803 -0.575 0.000 0.923 215 Q CB 0.658 29.209 28.738 -0.312 0.000 1.212 215 Q HN 0.653 nan 8.270 nan 0.000 0.443 216 F N 1.903 121.335 119.950 -0.863 0.000 2.443 216 F HA 0.657 5.184 4.527 -0.000 0.000 0.335 216 F C -0.695 174.722 175.800 -0.638 0.000 1.104 216 F CA -0.447 57.007 58.000 -0.911 0.000 1.013 216 F CB 1.657 39.625 39.000 -1.720 0.000 1.136 216 F HN 0.377 nan 8.300 nan 0.000 0.470 217 S N 4.344 119.172 115.700 -1.453 0.000 2.649 217 S HA 0.622 5.092 4.470 -0.000 0.000 0.274 217 S C -1.472 172.533 174.600 -0.990 0.000 1.176 217 S CA -0.383 57.211 58.200 -1.010 0.000 0.988 217 S CB 0.982 63.882 63.200 -0.502 0.000 1.071 217 S HN 0.926 nan 8.310 nan 0.000 0.478 218 S N 2.886 118.127 115.700 -0.765 0.000 2.537 218 S HA 0.460 4.930 4.470 -0.000 0.000 0.271 218 S C -1.038 173.496 174.600 -0.110 0.000 1.148 218 S CA -0.625 57.343 58.200 -0.385 0.000 0.868 218 S CB 1.719 64.732 63.200 -0.312 0.000 1.115 218 S HN 0.928 nan 8.310 nan 0.000 0.461 219 Q N 2.559 122.326 119.800 -0.053 0.000 2.421 219 Q HA 0.323 4.663 4.340 -0.000 0.000 0.255 219 Q C -0.525 175.527 176.000 0.088 0.000 1.013 219 Q CA -0.141 55.676 55.803 0.024 0.000 0.895 219 Q CB 0.329 29.070 28.738 0.005 0.000 1.271 219 Q HN 0.685 nan 8.270 nan 0.000 0.460 220 Y N 2.217 122.536 120.300 0.033 0.000 2.321 220 Y HA 0.130 4.680 4.550 -0.000 0.000 0.353 220 Y C -0.592 175.336 175.900 0.046 0.000 1.276 220 Y CA 0.380 58.512 58.100 0.054 0.000 1.545 220 Y CB 0.681 39.170 38.460 0.048 0.000 1.377 220 Y HN 0.756 nan 8.280 nan 0.000 0.650 221 Q N 1.213 120.092 119.800 -1.535 0.000 2.503 221 Q HA 0.175 4.515 4.340 -0.000 0.000 0.268 221 Q C -1.493 173.784 176.000 -1.205 0.000 0.982 221 Q CA -0.775 54.481 55.803 -0.911 0.000 0.907 221 Q CB 1.799 30.288 28.738 -0.415 0.000 1.467 221 Q HN 0.697 nan 8.270 nan 0.000 0.394 222 S N 0.009 115.418 115.700 -0.485 0.000 2.537 222 S HA 0.406 4.876 4.470 -0.000 0.000 0.286 222 S C 1.093 175.629 174.600 -0.106 0.000 1.299 222 S CA 1.757 59.879 58.200 -0.131 0.000 1.067 222 S CB 0.001 63.208 63.200 0.011 0.000 0.864 222 S HN 0.977 nan 8.310 nan 0.000 0.494 223 G N 2.938 111.742 108.800 0.007 0.000 2.194 223 G HA2 0.098 4.058 3.960 -0.000 0.000 0.236 223 G HA3 0.098 4.058 3.960 -0.000 0.000 0.236 223 G C 1.136 176.047 174.900 0.019 0.000 0.987 223 G CA 0.199 45.308 45.100 0.015 0.000 0.635 223 G HN 2.164 nan 8.290 nan 0.000 0.520 224 G N -2.089 106.698 108.800 -0.021 0.000 2.781 224 G HA2 0.229 4.189 3.960 -0.000 0.000 0.683 224 G HA3 0.229 4.189 3.960 -0.000 0.000 0.683 224 G C -0.322 174.579 174.900 0.002 0.000 1.390 224 G CA 0.006 45.134 45.100 0.048 0.000 0.850 224 G HN 1.502 nan 8.290 nan 0.000 0.557 225 V N 1.562 121.526 119.914 0.084 0.000 2.370 225 V HA 0.626 4.745 4.120 -0.000 0.000 0.279 225 V C 0.745 176.909 176.094 0.118 0.000 1.029 225 V CA 0.050 62.417 62.300 0.112 0.000 0.870 225 V CB 1.439 33.394 31.823 0.222 0.000 0.984 225 V HN 0.981 nan 8.190 nan 0.000 0.451 226 T N 6.992 121.598 114.554 0.086 0.000 2.829 226 T HA 0.720 5.070 4.350 -0.000 0.000 0.282 226 T C -0.206 174.546 174.700 0.086 0.000 0.990 226 T CA -0.181 61.962 62.100 0.072 0.000 1.028 226 T CB 1.119 70.017 68.868 0.050 0.000 0.951 226 T HN 0.674 nan 8.240 nan 0.000 0.460 227 I N -0.996 119.622 120.570 0.081 0.000 2.969 227 I HA 0.669 4.839 4.170 -0.000 0.000 0.307 227 I C -0.886 175.266 176.117 0.057 0.000 1.149 227 I CA -0.899 60.457 61.300 0.093 0.000 1.008 227 I CB 2.585 40.675 38.000 0.150 0.000 1.232 227 I HN 0.340 nan 8.210 nan 0.000 0.435 228 T N 5.017 119.587 114.554 0.027 0.000 2.929 228 T HA 0.237 4.587 4.350 -0.000 0.000 0.331 228 T C 0.780 175.460 174.700 -0.033 0.000 1.120 228 T CA -0.286 61.797 62.100 -0.029 0.000 0.973 228 T CB 0.923 69.757 68.868 -0.058 0.000 1.036 228 T HN 0.587 nan 8.240 nan 0.000 0.502 229 L N 4.580 125.785 121.223 -0.030 0.000 2.079 229 L HA 0.157 4.497 4.340 -0.000 0.000 0.210 229 L C 0.209 177.107 176.870 0.047 0.000 1.081 229 L CA 1.872 56.719 54.840 0.013 0.000 0.752 229 L CB -0.350 41.778 42.059 0.115 0.000 0.896 229 L HN 0.702 nan 8.230 nan 0.000 0.433 230 F N -3.333 116.609 119.950 -0.013 0.000 2.741 230 F HA 0.600 5.126 4.527 -0.000 0.000 0.311 230 F C -0.862 174.931 175.800 -0.012 0.000 1.149 230 F CA -0.918 57.064 58.000 -0.030 0.000 0.930 230 F CB 0.502 39.474 39.000 -0.047 0.000 1.312 230 F HN -0.295 nan 8.300 nan 0.000 0.450 231 S N 1.500 117.343 115.700 0.238 0.000 2.619 231 S HA 0.905 5.375 4.470 -0.000 0.000 0.280 231 S C -1.477 173.274 174.600 0.252 0.000 1.150 231 S CA 0.230 58.512 58.200 0.137 0.000 0.978 231 S CB 1.026 64.235 63.200 0.014 0.000 1.041 231 S HN 1.789 nan 8.310 nan 0.000 0.485 232 A N 4.077 127.036 122.820 0.232 0.000 2.515 232 A HA 0.735 5.055 4.320 -0.000 0.000 0.298 232 A C -1.011 176.573 177.584 0.000 0.000 1.059 232 A CA -0.899 51.197 52.037 0.097 0.000 0.698 232 A CB 1.165 20.194 19.000 0.048 0.000 1.289 232 A HN 0.737 nan 8.150 nan 0.000 0.404 233 N N 1.333 120.013 118.700 -0.033 0.000 2.458 233 N HA 0.568 5.307 4.740 -0.000 0.000 0.270 233 N C -0.359 175.035 175.510 -0.192 0.000 1.102 233 N CA 0.261 53.277 53.050 -0.056 0.000 0.967 233 N CB 0.751 39.240 38.487 0.002 0.000 1.078 233 N HN 0.737 nan 8.380 nan 0.000 0.471 234 I N -2.027 118.398 120.570 -0.242 0.000 3.191 234 I HA 0.582 4.751 4.170 -0.000 0.000 0.313 234 I C -1.200 174.853 176.117 -0.108 0.000 1.193 234 I CA -0.946 60.043 61.300 -0.519 0.000 0.968 234 I CB 2.828 40.335 38.000 -0.821 0.000 1.262 234 I HN 0.052 nan 8.210 nan 0.000 0.456 235 D N 2.192 122.638 120.400 0.077 0.000 2.619 235 D HA 0.736 5.376 4.640 -0.000 0.000 0.241 235 D C -1.142 175.232 176.300 0.124 0.000 1.087 235 D CA -0.284 53.793 54.000 0.128 0.000 0.851 235 D CB 2.519 43.429 40.800 0.184 0.000 1.474 235 D HN 0.908 nan 8.370 nan 0.000 0.478 236 A N 1.827 124.686 122.820 0.065 0.000 2.513 236 A HA 0.494 4.814 4.320 -0.000 0.000 0.296 236 A C -0.360 177.218 177.584 -0.010 0.000 1.052 236 A CA -0.507 51.554 52.037 0.039 0.000 0.714 236 A CB 0.837 19.858 19.000 0.035 0.000 1.279 236 A HN 0.556 nan 8.150 nan 0.000 0.397 237 I N 0.544 121.091 120.570 -0.038 0.000 4.338 237 I HA 0.126 4.295 4.170 -0.000 0.000 0.315 237 I C 1.124 177.212 176.117 -0.048 0.000 1.262 237 I CA 1.020 62.254 61.300 -0.111 0.000 1.298 237 I CB 0.789 38.626 38.000 -0.272 0.000 1.257 237 I HN 0.791 nan 8.210 nan 0.000 0.444 238 T N -1.444 113.121 114.554 0.019 0.000 2.724 238 T HA 0.398 4.748 4.350 -0.000 0.000 0.274 238 T C 0.245 174.988 174.700 0.072 0.000 0.984 238 T CA -0.539 61.594 62.100 0.056 0.000 1.024 238 T CB 1.229 70.163 68.868 0.109 0.000 1.320 238 T HN 0.117 nan 8.240 nan 0.000 0.555 239 S N 0.697 116.461 115.700 0.108 0.000 2.561 239 S HA 0.331 4.801 4.470 -0.000 0.000 0.294 239 S C 0.060 174.752 174.600 0.154 0.000 1.294 239 S CA -0.491 57.804 58.200 0.160 0.000 1.055 239 S CB -1.047 62.282 63.200 0.216 0.000 0.819 239 S HN 1.159 nan 8.310 nan 0.000 0.503 240 L N -0.495 120.759 121.223 0.051 0.000 2.409 240 L HA 0.945 5.284 4.340 -0.000 0.000 0.255 240 L C -0.783 176.035 176.870 -0.086 0.000 1.027 240 L CA -1.024 53.716 54.840 -0.167 0.000 0.834 240 L CB 1.937 43.953 42.059 -0.073 0.000 1.426 240 L HN 0.597 nan 8.230 nan 0.000 0.411 241 S N 1.041 116.646 115.700 -0.160 0.000 2.570 241 S HA 0.783 5.252 4.470 -0.000 0.000 0.286 241 S C -0.702 173.899 174.600 0.002 0.000 1.099 241 S CA -0.523 57.676 58.200 -0.002 0.000 0.913 241 S CB 1.857 65.098 63.200 0.068 0.000 1.085 241 S HN 0.543 nan 8.310 nan 0.000 0.480 242 I N 1.736 122.337 120.570 0.052 0.000 2.447 242 I HA 0.652 4.822 4.170 -0.000 0.000 0.287 242 I C 0.349 176.523 176.117 0.096 0.000 1.023 242 I CA -0.392 60.943 61.300 0.058 0.000 1.083 242 I CB 1.962 40.017 38.000 0.092 0.000 1.245 242 I HN 0.762 nan 8.210 nan 0.000 0.434 243 G N 3.027 111.855 108.800 0.048 0.000 2.658 243 G HA2 0.878 4.838 3.960 -0.000 0.000 0.292 243 G HA3 0.878 4.838 3.960 -0.000 0.000 0.292 243 G C -0.577 174.329 174.900 0.009 0.000 1.320 243 G CA -0.504 44.645 45.100 0.081 0.000 0.933 243 G HN 1.003 nan 8.290 nan 0.000 0.476 244 G N -0.800 108.045 108.800 0.075 0.000 2.331 244 G HA2 0.507 4.467 3.960 -0.000 0.000 0.402 244 G HA3 0.507 4.467 3.960 -0.000 0.000 0.402 244 G C -0.864 174.152 174.900 0.192 0.000 1.275 244 G CA 0.213 45.324 45.100 0.017 0.000 1.003 244 G HN 1.549 nan 8.290 nan 0.000 0.500 245 E N -1.415 118.865 120.200 0.134 0.000 2.390 245 E HA 0.656 5.006 4.350 -0.000 0.000 0.280 245 E C -1.637 175.086 176.600 0.206 0.000 0.992 245 E CA -1.134 55.439 56.400 0.288 0.000 0.790 245 E CB 1.706 31.508 29.700 0.170 0.000 1.248 245 E HN 0.653 nan 8.360 nan 0.000 0.447 246 L N 1.900 123.306 121.223 0.305 0.000 2.329 246 L HA 0.585 4.925 4.340 -0.000 0.000 0.279 246 L C -0.859 176.035 176.870 0.041 0.000 1.014 246 L CA -1.303 53.607 54.840 0.116 0.000 0.814 246 L CB 1.987 44.185 42.059 0.232 0.000 1.257 246 L HN 0.440 nan 8.230 nan 0.000 0.424 247 V N 3.215 123.039 119.914 -0.150 0.000 2.384 247 V HA 0.418 4.537 4.120 -0.000 0.000 0.287 247 V C -0.561 175.357 176.094 -0.294 0.000 1.020 247 V CA -0.441 61.793 62.300 -0.111 0.000 0.850 247 V CB 1.401 33.146 31.823 -0.130 0.000 0.987 247 V HN 0.362 nan 8.190 nan 0.000 0.436 248 F N 3.015 122.867 119.950 -0.163 0.000 2.450 248 F HA 0.594 5.121 4.527 -0.000 0.000 0.332 248 F C 0.512 176.306 175.800 -0.011 0.000 1.093 248 F CA -0.364 57.540 58.000 -0.160 0.000 1.003 248 F CB 1.300 40.137 39.000 -0.271 0.000 1.151 248 F HN 0.472 nan 8.300 nan 0.000 0.474 249 H N 0.115 119.325 119.070 0.233 0.000 2.572 249 H HA 0.626 5.182 4.556 -0.000 0.000 0.359 249 H C -0.663 174.800 175.328 0.225 0.000 1.134 249 H CA -0.885 55.265 56.048 0.171 0.000 1.187 249 H CB 2.400 32.236 29.762 0.124 0.000 1.597 249 H HN 0.574 nan 8.280 nan 0.000 0.524 250 T N 0.470 115.186 114.554 0.271 0.000 2.885 250 T HA 0.169 4.518 4.350 -0.000 0.000 0.322 250 T C 0.067 174.811 174.700 0.074 0.000 1.387 250 T CA -0.476 61.750 62.100 0.210 0.000 1.041 250 T CB 1.700 70.702 68.868 0.223 0.000 1.287 250 T HN 0.511 nan 8.240 nan 0.000 0.491 251 S N 1.060 116.796 115.700 0.061 0.000 2.512 251 S HA 0.303 4.772 4.470 -0.000 0.000 0.216 251 S C 0.345 174.936 174.600 -0.015 0.000 1.006 251 S CA -0.098 58.105 58.200 0.004 0.000 0.915 251 S CB 0.405 63.627 63.200 0.037 0.000 0.824 251 S HN 0.570 nan 8.310 nan 0.000 0.497 252 V N 3.499 123.430 119.914 0.028 0.000 2.546 252 V HA 0.287 4.407 4.120 -0.000 0.000 0.284 252 V C 0.053 176.153 176.094 0.010 0.000 1.050 252 V CA -0.563 61.782 62.300 0.074 0.000 0.981 252 V CB 0.796 32.688 31.823 0.115 0.000 0.990 252 V HN 0.428 nan 8.190 nan 0.000 0.474 253 H N 2.430 121.530 119.070 0.049 0.000 2.496 253 H HA 0.420 4.976 4.556 -0.000 0.000 0.342 253 H C 1.198 176.543 175.328 0.028 0.000 1.170 253 H CA 0.441 56.510 56.048 0.036 0.000 1.274 253 H CB 1.650 31.425 29.762 0.020 0.000 1.538 253 H HN 0.928 nan 8.280 nan 0.000 0.542 254 G N 1.537 110.418 108.800 0.136 0.000 2.159 254 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 254 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 254 G C 0.163 175.089 174.900 0.043 0.000 0.977 254 G CA -0.062 45.079 45.100 0.069 0.000 0.652 254 G HN 0.418 nan 8.290 nan 0.000 0.531 255 L N 0.514 121.770 121.223 0.056 0.000 2.371 255 L HA 0.638 4.978 4.340 -0.000 0.000 0.272 255 L C 0.709 177.581 176.870 0.004 0.000 1.124 255 L CA 0.084 54.962 54.840 0.064 0.000 0.816 255 L CB 1.464 43.602 42.059 0.132 0.000 1.129 255 L HN 0.389 nan 8.230 nan 0.000 0.448 256 A N 4.727 127.543 122.820 -0.006 0.000 2.393 256 A HA 0.808 5.128 4.320 -0.000 0.000 0.306 256 A C -1.007 176.518 177.584 -0.098 0.000 1.050 256 A CA -0.531 51.468 52.037 -0.063 0.000 0.724 256 A CB 1.370 20.346 19.000 -0.039 0.000 1.248 256 A HN 0.619 nan 8.150 nan 0.000 0.424 257 L N 1.674 122.775 121.223 -0.202 0.000 2.346 257 L HA 0.543 4.883 4.340 -0.000 0.000 0.274 257 L C -1.057 175.689 176.870 -0.207 0.000 1.007 257 L CA -0.909 53.773 54.840 -0.263 0.000 0.818 257 L CB 2.111 43.837 42.059 -0.555 0.000 1.284 257 L HN 0.584 nan 8.230 nan 0.000 0.424 258 D N 1.921 122.230 120.400 -0.151 0.000 2.362 258 D HA 0.699 5.339 4.640 -0.000 0.000 0.247 258 D C -0.852 175.374 176.300 -0.122 0.000 1.050 258 D CA -0.108 53.820 54.000 -0.120 0.000 0.839 258 D CB 2.460 43.222 40.800 -0.063 0.000 1.283 258 D HN 0.585 nan 8.370 nan 0.000 0.477 259 A N 1.537 124.274 122.820 -0.138 0.000 2.393 259 A HA 0.731 5.051 4.320 -0.000 0.000 0.306 259 A C -0.596 176.909 177.584 -0.132 0.000 1.050 259 A CA -0.544 51.427 52.037 -0.110 0.000 0.724 259 A CB 1.592 20.518 19.000 -0.123 0.000 1.248 259 A HN 0.355 nan 8.150 nan 0.000 0.424 260 T N 1.948 116.430 114.554 -0.121 0.000 2.886 260 T HA 0.548 4.897 4.350 -0.000 0.000 0.292 260 T C -0.916 173.598 174.700 -0.311 0.000 1.012 260 T CA -0.174 61.767 62.100 -0.265 0.000 0.982 260 T CB 1.206 69.839 68.868 -0.391 0.000 1.018 260 T HN 0.485 nan 8.240 nan 0.000 0.451 261 I N 2.764 123.142 120.570 -0.320 0.000 2.392 261 I HA 0.501 4.670 4.170 -0.000 0.000 0.295 261 I C -1.329 174.553 176.117 -0.391 0.000 0.985 261 I CA -0.593 60.590 61.300 -0.195 0.000 1.221 261 I CB 0.803 38.808 38.000 0.008 0.000 1.366 261 I HN 0.579 nan 8.210 nan 0.000 0.467 262 Y N 6.167 126.450 120.300 -0.029 0.000 2.409 262 Y HA 0.601 5.150 4.550 -0.000 0.000 0.343 262 Y C -0.689 175.196 175.900 -0.025 0.000 0.973 262 Y CA -0.803 57.280 58.100 -0.029 0.000 1.064 262 Y CB 1.525 39.957 38.460 -0.046 0.000 1.207 262 Y HN 0.210 nan 8.280 nan 0.000 0.452 263 L N 5.225 126.525 121.223 0.129 0.000 2.298 263 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 263 L C -0.990 175.918 176.870 0.064 0.000 1.013 263 L CA -0.755 54.127 54.840 0.070 0.000 0.824 263 L CB 0.868 42.950 42.059 0.039 0.000 1.221 263 L HN 0.480 nan 8.230 nan 0.000 0.418 264 I N 2.352 122.948 120.570 0.043 0.000 2.428 264 I HA 0.423 4.593 4.170 -0.000 0.000 0.296 264 I C 0.946 177.078 176.117 0.025 0.000 0.985 264 I CA -0.325 60.989 61.300 0.024 0.000 1.260 264 I CB 1.280 39.279 38.000 -0.002 0.000 1.389 264 I HN 0.508 nan 8.210 nan 0.000 0.484 265 G N 3.049 111.865 108.800 0.027 0.000 2.528 265 G HA2 0.228 4.188 3.960 -0.000 0.000 0.289 265 G HA3 0.228 4.188 3.960 -0.000 0.000 0.289 265 G C 0.372 175.330 174.900 0.096 0.000 1.192 265 G CA -0.365 44.771 45.100 0.060 0.000 0.921 265 G HN 0.569 nan 8.290 nan 0.000 0.512 266 F N 0.653 120.587 119.950 -0.027 0.000 2.250 266 F HA -0.138 4.389 4.527 -0.000 0.000 0.301 266 F C 2.157 177.884 175.800 -0.122 0.000 1.077 266 F CA 1.953 59.868 58.000 -0.141 0.000 1.348 266 F CB 0.227 39.003 39.000 -0.373 0.000 1.040 266 F HN 0.434 nan 8.300 nan 0.000 0.509 267 D N -1.131 119.271 120.400 0.004 0.000 2.328 267 D HA 0.156 4.796 4.640 -0.000 0.000 0.226 267 D C 1.843 178.119 176.300 -0.039 0.000 1.066 267 D CA 0.737 54.731 54.000 -0.010 0.000 0.861 267 D CB -0.513 40.439 40.800 0.255 0.000 0.912 267 D HN 0.392 nan 8.370 nan 0.000 0.521 268 G N -0.655 108.107 108.800 -0.064 0.000 2.199 268 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.254 268 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.254 268 G C 0.523 175.406 174.900 -0.029 0.000 0.982 268 G CA 0.423 45.487 45.100 -0.060 0.000 0.632 268 G HN 0.493 nan 8.290 nan 0.000 0.529 269 T N 1.911 116.468 114.554 0.006 0.000 2.899 269 T HA 0.493 4.843 4.350 -0.000 0.000 0.295 269 T C 0.697 175.402 174.700 0.009 0.000 1.033 269 T CA 0.807 62.915 62.100 0.014 0.000 1.084 269 T CB 0.914 69.811 68.868 0.049 0.000 0.979 269 T HN 0.218 nan 8.240 nan 0.000 0.532 270 T N 2.966 117.527 114.554 0.011 0.000 2.794 270 T HA 0.229 4.578 4.350 -0.000 0.000 0.296 270 T C 1.294 176.017 174.700 0.038 0.000 0.949 270 T CA -0.566 61.557 62.100 0.038 0.000 1.101 270 T CB 0.926 69.834 68.868 0.066 0.000 0.905 270 T HN 0.353 nan 8.240 nan 0.000 0.516 271 V N 3.606 123.541 119.914 0.035 0.000 2.922 271 V HA 0.349 4.469 4.120 -0.000 0.000 0.242 271 V C 0.503 176.610 176.094 0.022 0.000 1.094 271 V CA 0.637 62.942 62.300 0.009 0.000 1.106 271 V CB 0.044 31.856 31.823 -0.018 0.000 0.799 271 V HN 0.717 nan 8.190 nan 0.000 0.474 272 I N 0.059 120.654 120.570 0.041 0.000 2.722 272 I HA 0.477 4.647 4.170 -0.000 0.000 0.295 272 I C -0.525 175.612 176.117 0.033 0.000 1.161 272 I CA -0.111 61.207 61.300 0.030 0.000 1.032 272 I CB 2.560 40.569 38.000 0.014 0.000 1.244 272 I HN 0.160 nan 8.210 nan 0.000 0.421 273 T N 3.150 117.696 114.554 -0.013 0.000 2.886 273 T HA 0.702 5.051 4.350 -0.000 0.000 0.292 273 T C -0.784 173.836 174.700 -0.133 0.000 1.012 273 T CA -0.873 61.153 62.100 -0.123 0.000 0.982 273 T CB 1.837 70.637 68.868 -0.113 0.000 1.018 273 T HN 0.401 nan 8.240 nan 0.000 0.451 274 R N 1.778 122.162 120.500 -0.194 0.000 2.538 274 R HA 0.707 5.047 4.340 -0.000 0.000 0.292 274 R C -0.452 175.744 176.300 -0.174 0.000 1.008 274 R CA -0.646 55.374 56.100 -0.133 0.000 0.896 274 R CB 1.933 32.191 30.300 -0.071 0.000 1.187 274 R HN 0.986 nan 8.270 nan 0.000 0.440 275 A N 1.959 124.692 122.820 -0.145 0.000 2.388 275 A HA 0.368 4.688 4.320 -0.000 0.000 0.257 275 A C 0.713 178.196 177.584 -0.168 0.000 1.095 275 A CA -0.260 51.684 52.037 -0.155 0.000 0.791 275 A CB 0.758 19.686 19.000 -0.120 0.000 1.029 275 A HN 0.489 nan 8.150 nan 0.000 0.489 276 V N 1.019 120.801 119.914 -0.220 0.000 3.539 276 V HA 0.471 4.590 4.120 -0.000 0.000 0.262 276 V C 0.739 176.634 176.094 -0.332 0.000 1.381 276 V CA 1.298 63.396 62.300 -0.338 0.000 1.060 276 V CB 0.361 31.871 31.823 -0.522 0.000 0.842 276 V HN 1.229 nan 8.190 nan 0.000 0.445 277 A N -0.702 121.969 122.820 -0.249 0.000 2.517 277 A HA 0.769 5.088 4.320 -0.000 0.000 0.297 277 A C -0.759 176.726 177.584 -0.165 0.000 1.050 277 A CA -0.214 51.692 52.037 -0.218 0.000 0.694 277 A CB 1.998 20.845 19.000 -0.255 0.000 1.277 277 A HN 0.024 nan 8.150 nan 0.000 0.400 278 S N 1.620 117.238 115.700 -0.136 0.000 2.779 278 S HA 0.502 4.972 4.470 -0.000 0.000 0.293 278 S C -0.431 174.114 174.600 -0.093 0.000 1.150 278 S CA 0.407 58.545 58.200 -0.103 0.000 1.057 278 S CB 0.724 63.873 63.200 -0.084 0.000 1.021 278 S HN 1.701 nan 8.310 nan 0.000 0.485 279 D N 3.473 123.821 120.400 -0.086 0.000 2.686 279 D HA -0.217 4.423 4.640 -0.000 0.000 0.235 279 D C -0.484 175.761 176.300 -0.092 0.000 1.160 279 D CA 0.727 54.682 54.000 -0.074 0.000 0.645 279 D CB -1.239 39.531 40.800 -0.050 0.000 1.039 279 D HN 0.488 nan 8.370 nan 0.000 0.423 280 N N 0.390 119.011 118.700 -0.133 0.000 2.415 280 N HA 0.396 5.136 4.740 -0.000 0.000 0.246 280 N C 0.350 175.769 175.510 -0.152 0.000 1.078 280 N CA 0.501 53.462 53.050 -0.148 0.000 0.942 280 N CB 0.741 39.106 38.487 -0.202 0.000 1.140 280 N HN 0.376 nan 8.380 nan 0.000 0.501 281 G N 3.204 111.942 108.800 -0.103 0.000 2.467 281 G HA2 0.382 4.342 3.960 -0.000 0.000 0.257 281 G HA3 0.382 4.342 3.960 -0.000 0.000 0.257 281 G C 0.044 174.890 174.900 -0.090 0.000 1.227 281 G CA -0.458 44.592 45.100 -0.083 0.000 0.835 281 G HN 0.601 nan 8.290 nan 0.000 0.556 282 L N 1.508 122.683 121.223 -0.080 0.000 2.295 282 L HA 0.350 4.690 4.340 -0.000 0.000 0.285 282 L C 0.308 177.160 176.870 -0.029 0.000 1.035 282 L CA -0.616 54.186 54.840 -0.064 0.000 0.806 282 L CB 1.743 43.763 42.059 -0.065 0.000 1.214 282 L HN 0.366 nan 8.230 nan 0.000 0.426 283 T N 0.870 115.414 114.554 -0.018 0.000 2.799 283 T HA 0.279 4.629 4.350 -0.000 0.000 0.286 283 T C 0.430 175.106 174.700 -0.041 0.000 0.973 283 T CA -0.497 61.590 62.100 -0.021 0.000 1.035 283 T CB 1.284 70.151 68.868 -0.001 0.000 0.932 283 T HN 0.722 nan 8.240 nan 0.000 0.469 284 T N 0.212 114.692 114.554 -0.124 0.000 2.898 284 T HA 0.439 4.789 4.350 -0.000 0.000 0.301 284 T C 1.419 176.074 174.700 -0.074 0.000 1.049 284 T CA 0.104 62.112 62.100 -0.154 0.000 1.095 284 T CB 0.495 69.129 68.868 -0.390 0.000 0.976 284 T HN 1.077 nan 8.240 nan 0.000 0.539 285 G N 1.706 110.467 108.800 -0.064 0.000 2.233 285 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.270 285 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.270 285 G C 0.021 174.883 174.900 -0.063 0.000 1.011 285 G CA 0.794 45.852 45.100 -0.069 0.000 0.762 285 G HN 1.606 nan 8.290 nan 0.000 0.511 286 I N -5.096 115.458 120.570 -0.026 0.000 3.191 286 I HA 0.700 4.869 4.170 -0.000 0.000 0.313 286 I C -1.079 175.112 176.117 0.123 0.000 1.193 286 I CA -1.620 59.691 61.300 0.017 0.000 0.968 286 I CB 1.716 39.733 38.000 0.029 0.000 1.262 286 I HN -0.176 nan 8.210 nan 0.000 0.456 287 D N 3.167 123.660 120.400 0.156 0.000 2.325 287 D HA 0.226 4.866 4.640 -0.000 0.000 0.251 287 D C -0.851 175.539 176.300 0.150 0.000 1.196 287 D CA 0.151 54.295 54.000 0.239 0.000 0.866 287 D CB 0.650 41.560 40.800 0.184 0.000 1.101 287 D HN 0.449 nan 8.370 nan 0.000 0.476 288 N N 3.026 121.824 118.700 0.164 0.000 2.426 288 N HA 0.244 4.983 4.740 -0.000 0.000 0.257 288 N C -0.297 175.282 175.510 0.114 0.000 1.002 288 N CA -0.343 52.770 53.050 0.106 0.000 0.942 288 N CB 1.767 40.306 38.487 0.087 0.000 1.112 288 N HN 0.243 nan 8.380 nan 0.000 0.499 289 L N 2.305 123.571 121.223 0.071 0.000 2.295 289 L HA 0.502 4.842 4.340 -0.000 0.000 0.285 289 L C 0.424 177.327 176.870 0.055 0.000 1.035 289 L CA -0.312 54.572 54.840 0.075 0.000 0.806 289 L CB 1.506 43.597 42.059 0.054 0.000 1.214 289 L HN 0.356 nan 8.230 nan 0.000 0.426 290 M N 6.942 126.599 119.600 0.095 0.000 2.016 290 M HA 0.417 4.897 4.480 -0.000 0.000 0.315 290 M C -2.682 173.641 176.300 0.038 0.000 0.930 290 M CA -1.594 53.718 55.300 0.022 0.000 0.899 290 M CB 1.686 34.328 32.600 0.069 0.000 1.401 290 M HN 0.223 nan 8.290 nan 0.000 0.386 291 P HA 0.335 nan 4.420 nan 0.000 0.276 291 P C -1.441 175.839 177.300 -0.033 0.000 1.244 291 P CA -0.108 63.046 63.100 0.089 0.000 0.801 291 P CB 0.837 32.566 31.700 0.049 0.000 1.006 292 F N 0.870 120.829 119.950 0.015 0.000 2.493 292 F HA 0.376 4.903 4.527 -0.000 0.000 0.329 292 F C 0.903 176.710 175.800 0.012 0.000 1.126 292 F CA -0.327 57.681 58.000 0.013 0.000 0.937 292 F CB 1.466 40.480 39.000 0.023 0.000 1.146 292 F HN 0.160 nan 8.300 nan 0.000 0.442 293 N N 4.960 123.740 118.700 0.134 0.000 2.672 293 N HA 0.258 4.998 4.740 -0.000 0.000 0.295 293 N C -1.313 174.243 175.510 0.077 0.000 1.924 293 N CA -0.067 53.039 53.050 0.092 0.000 0.851 293 N CB 1.140 39.653 38.487 0.044 0.000 1.281 293 N HN 0.426 nan 8.380 nan 0.000 0.494 294 L N 0.540 121.829 121.223 0.109 0.000 2.307 294 L HA 0.614 4.954 4.340 -0.000 0.000 0.282 294 L C 0.022 176.939 176.870 0.078 0.000 1.051 294 L CA -0.892 53.996 54.840 0.081 0.000 0.804 294 L CB 1.798 43.914 42.059 0.094 0.000 1.197 294 L HN -0.212 nan 8.230 nan 0.000 0.431 295 V N 4.410 124.363 119.914 0.065 0.000 2.443 295 V HA 0.375 4.495 4.120 -0.000 0.000 0.293 295 V C -0.423 175.709 176.094 0.063 0.000 1.021 295 V CA -0.299 62.050 62.300 0.081 0.000 0.848 295 V CB 2.045 33.914 31.823 0.078 0.000 0.998 295 V HN 0.455 nan 8.190 nan 0.000 0.424 296 I N 8.709 129.320 120.570 0.067 0.000 2.330 296 I HA 0.409 4.579 4.170 -0.000 0.000 0.286 296 I C -2.018 174.135 176.117 0.061 0.000 1.025 296 I CA -1.977 59.353 61.300 0.049 0.000 1.197 296 I CB 1.719 39.740 38.000 0.035 0.000 1.358 296 I HN 0.420 nan 8.210 nan 0.000 0.467 297 P HA 0.118 nan 4.420 nan 0.000 0.274 297 P C 0.546 177.868 177.300 0.037 0.000 1.231 297 P CA -0.197 62.931 63.100 0.046 0.000 0.790 297 P CB 1.004 32.722 31.700 0.030 0.000 0.951 298 T N 0.863 115.440 114.554 0.039 0.000 2.759 298 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 298 T C 1.633 176.342 174.700 0.016 0.000 1.042 298 T CA 1.910 64.028 62.100 0.029 0.000 1.140 298 T CB -0.832 68.056 68.868 0.034 0.000 0.864 298 T HN 0.643 nan 8.240 nan 0.000 0.455 299 N N 1.572 120.281 118.700 0.016 0.000 2.519 299 N HA -0.146 4.593 4.740 -0.000 0.000 0.186 299 N C 1.251 176.766 175.510 0.009 0.000 1.062 299 N CA 0.975 54.033 53.050 0.013 0.000 0.910 299 N CB -0.191 38.304 38.487 0.014 0.000 0.958 299 N HN 0.518 nan 8.380 nan 0.000 0.445 300 E N 0.053 120.259 120.200 0.009 0.000 2.385 300 E HA 0.186 4.536 4.350 -0.000 0.000 0.194 300 E C 0.182 176.779 176.600 -0.005 0.000 1.013 300 E CA -0.047 56.356 56.400 0.005 0.000 0.866 300 E CB 0.437 30.142 29.700 0.008 0.000 0.832 300 E HN 0.420 nan 8.360 nan 0.000 0.500 301 I N 2.690 123.253 120.570 -0.011 0.000 2.347 301 I HA -0.028 4.142 4.170 -0.000 0.000 0.294 301 I C 1.421 177.504 176.117 -0.057 0.000 1.090 301 I CA 0.033 61.313 61.300 -0.032 0.000 1.314 301 I CB 0.909 38.892 38.000 -0.027 0.000 1.423 301 I HN 0.041 nan 8.210 nan 0.000 0.503 302 T N 1.831 116.334 114.554 -0.086 0.000 3.081 302 T HA 0.063 4.413 4.350 -0.000 0.000 0.255 302 T C 0.438 174.953 174.700 -0.308 0.000 1.113 302 T CA 0.080 62.108 62.100 -0.120 0.000 1.082 302 T CB 0.010 68.829 68.868 -0.082 0.000 0.939 302 T HN 0.720 nan 8.240 nan 0.000 0.506 303 Q N -0.481 119.100 119.800 -0.365 0.000 2.472 303 Q HA 0.536 4.876 4.340 -0.000 0.000 0.281 303 Q C -3.475 172.399 176.000 -0.210 0.000 0.997 303 Q CA -2.448 53.016 55.803 -0.566 0.000 0.828 303 Q CB 0.713 28.710 28.738 -1.236 0.000 1.443 303 Q HN -0.122 nan 8.270 nan 0.000 0.390 304 P HA -0.010 nan 4.420 nan 0.000 0.261 304 P C -0.909 176.417 177.300 0.042 0.000 1.173 304 P CA 0.444 63.560 63.100 0.027 0.000 0.760 304 P CB 0.292 32.087 31.700 0.158 0.000 0.783 305 I N 2.949 123.536 120.570 0.027 0.000 2.365 305 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 305 I C 1.460 177.611 176.117 0.056 0.000 1.004 305 I CA 0.567 61.887 61.300 0.034 0.000 1.311 305 I CB 1.116 39.124 38.000 0.014 0.000 1.401 305 I HN 0.412 nan 8.210 nan 0.000 0.491 306 T N 0.025 114.617 114.554 0.064 0.000 3.043 306 T HA 0.333 4.683 4.350 -0.000 0.000 0.272 306 T C 0.180 174.893 174.700 0.022 0.000 0.990 306 T CA 0.134 62.276 62.100 0.070 0.000 0.897 306 T CB -0.026 68.931 68.868 0.148 0.000 1.111 306 T HN 0.581 nan 8.240 nan 0.000 0.529 307 S N 0.411 116.114 115.700 0.004 0.000 2.587 307 S HA 0.713 5.183 4.470 -0.000 0.000 0.269 307 S C -1.536 173.066 174.600 0.003 0.000 1.154 307 S CA -1.053 57.141 58.200 -0.011 0.000 0.824 307 S CB 1.679 64.877 63.200 -0.004 0.000 1.118 307 S HN 0.492 nan 8.310 nan 0.000 0.462 308 I N 1.232 121.815 120.570 0.021 0.000 2.582 308 I HA 0.707 4.877 4.170 -0.000 0.000 0.292 308 I C -1.657 174.481 176.117 0.034 0.000 1.066 308 I CA -0.735 60.597 61.300 0.054 0.000 1.053 308 I CB 1.880 39.927 38.000 0.079 0.000 1.241 308 I HN 1.033 nan 8.210 nan 0.000 0.421 309 K N 6.316 126.690 120.400 -0.043 0.000 2.508 309 K HA 0.604 4.923 4.320 -0.000 0.000 0.260 309 K C -2.111 174.323 176.600 -0.278 0.000 0.949 309 K CA -0.951 55.173 56.287 -0.271 0.000 0.834 309 K CB 2.564 34.975 32.500 -0.148 0.000 1.365 309 K HN 0.450 nan 8.250 nan 0.000 0.437 310 L N 1.208 122.053 121.223 -0.630 0.000 2.313 310 L HA 0.429 4.769 4.340 -0.000 0.000 0.283 310 L C -1.024 175.772 176.870 -0.123 0.000 1.013 310 L CA -0.030 54.625 54.840 -0.308 0.000 0.816 310 L CB 1.655 43.511 42.059 -0.338 0.000 1.236 310 L HN 0.783 nan 8.230 nan 0.000 0.419 311 E N 5.216 125.442 120.200 0.044 0.000 2.166 311 E HA 0.494 4.844 4.350 -0.000 0.000 0.275 311 E C -1.127 175.510 176.600 0.063 0.000 0.941 311 E CA -0.718 55.736 56.400 0.090 0.000 0.784 311 E CB 1.773 31.619 29.700 0.244 0.000 1.115 311 E HN 0.431 nan 8.360 nan 0.000 0.399 312 I N 3.211 123.823 120.570 0.071 0.000 2.433 312 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 312 I C -0.389 175.749 176.117 0.036 0.000 1.001 312 I CA -0.846 60.485 61.300 0.052 0.000 1.119 312 I CB 1.617 39.696 38.000 0.132 0.000 1.289 312 I HN 0.234 nan 8.210 nan 0.000 0.438 313 V N 5.194 125.110 119.914 0.002 0.000 2.378 313 V HA 0.398 4.518 4.120 -0.000 0.000 0.288 313 V C 0.161 176.271 176.094 0.027 0.000 1.016 313 V CA -0.439 61.876 62.300 0.025 0.000 0.840 313 V CB 1.750 33.589 31.823 0.026 0.000 0.994 313 V HN 0.787 nan 8.190 nan 0.000 0.431 314 T N 4.259 118.865 114.554 0.087 0.000 2.795 314 T HA 0.698 5.048 4.350 -0.000 0.000 0.282 314 T C 0.113 174.948 174.700 0.225 0.000 0.980 314 T CA -0.411 61.794 62.100 0.175 0.000 1.012 314 T CB 1.390 70.461 68.868 0.338 0.000 0.936 314 T HN 0.907 nan 8.240 nan 0.000 0.457 315 S N 2.126 117.945 115.700 0.198 0.000 2.819 315 S HA 0.637 5.107 4.470 -0.000 0.000 0.299 315 S C -1.535 173.143 174.600 0.131 0.000 1.192 315 S CA -1.361 56.990 58.200 0.252 0.000 0.847 315 S CB 1.331 64.675 63.200 0.241 0.000 1.224 315 S HN 0.525 nan 8.310 nan 0.000 0.537 316 K N 1.116 121.532 120.400 0.028 0.000 2.130 316 K HA 0.446 4.765 4.320 -0.000 0.000 0.268 316 K C 0.785 177.360 176.600 -0.043 0.000 0.983 316 K CA -0.196 56.043 56.287 -0.080 0.000 0.893 316 K CB 1.508 33.829 32.500 -0.298 0.000 1.066 316 K HN 0.745 nan 8.250 nan 0.000 0.450 317 S N 0.488 116.171 115.700 -0.029 0.000 2.515 317 S HA 0.037 4.507 4.470 -0.000 0.000 0.231 317 S C 0.844 175.426 174.600 -0.030 0.000 0.987 317 S CA 0.461 58.648 58.200 -0.021 0.000 0.936 317 S CB -0.083 63.109 63.200 -0.014 0.000 0.766 317 S HN 0.836 nan 8.310 nan 0.000 0.528 318 G N -0.890 107.878 108.800 -0.054 0.000 2.341 318 G HA2 0.457 4.417 3.960 -0.000 0.000 0.299 318 G HA3 0.457 4.417 3.960 -0.000 0.000 0.299 318 G C 0.389 175.232 174.900 -0.094 0.000 1.274 318 G CA -0.183 44.883 45.100 -0.056 0.000 0.853 318 G HN 0.298 nan 8.290 nan 0.000 0.493 319 G N -0.816 107.940 108.800 -0.075 0.000 2.448 319 G HA2 0.024 3.984 3.960 -0.000 0.000 0.218 319 G HA3 0.024 3.984 3.960 -0.000 0.000 0.218 319 G C 1.492 176.347 174.900 -0.074 0.000 1.135 319 G CA 1.788 46.836 45.100 -0.087 0.000 0.784 319 G HN 0.617 nan 8.290 nan 0.000 0.543 320 Q N 1.046 120.816 119.800 -0.051 0.000 2.096 320 Q HA 0.124 4.464 4.340 -0.000 0.000 0.204 320 Q C 1.802 177.779 176.000 -0.038 0.000 0.982 320 Q CA 0.872 56.652 55.803 -0.038 0.000 0.850 320 Q CB -0.768 27.954 28.738 -0.027 0.000 0.901 320 Q HN 0.456 nan 8.270 nan 0.000 0.422 321 A N -0.355 122.438 122.820 -0.045 0.000 2.644 321 A HA 0.323 4.642 4.320 -0.000 0.000 0.230 321 A C 0.767 178.327 177.584 -0.040 0.000 1.080 321 A CA 0.620 52.637 52.037 -0.034 0.000 0.773 321 A CB -0.540 18.422 19.000 -0.063 0.000 1.007 321 A HN 0.482 nan 8.150 nan 0.000 0.512 322 G N -0.939 107.863 108.800 0.004 0.000 2.504 322 G HA2 0.451 4.411 3.960 -0.000 0.000 0.288 322 G HA3 0.451 4.411 3.960 -0.000 0.000 0.288 322 G C -0.289 174.620 174.900 0.015 0.000 1.182 322 G CA 0.087 45.199 45.100 0.020 0.000 0.894 322 G HN 0.670 nan 8.290 nan 0.000 0.521 323 D N -0.962 119.464 120.400 0.043 0.000 2.449 323 D HA 0.087 4.726 4.640 -0.000 0.000 0.210 323 D C 0.433 176.808 176.300 0.125 0.000 1.094 323 D CA 0.147 54.212 54.000 0.109 0.000 0.846 323 D CB 0.602 41.477 40.800 0.126 0.000 1.003 323 D HN 0.078 nan 8.370 nan 0.000 0.504 324 Q N 1.263 121.106 119.800 0.072 0.000 2.655 324 Q HA 0.278 4.618 4.340 -0.000 0.000 0.228 324 Q C -0.449 175.574 176.000 0.038 0.000 1.186 324 Q CA 0.061 55.885 55.803 0.034 0.000 1.004 324 Q CB 0.467 29.208 28.738 0.006 0.000 1.242 324 Q HN 0.383 nan 8.270 nan 0.000 0.558 325 M N 1.134 120.781 119.600 0.078 0.000 2.219 325 M HA 0.253 4.732 4.480 -0.000 0.000 0.353 325 M C 0.382 176.698 176.300 0.026 0.000 1.304 325 M CA 0.178 55.565 55.300 0.144 0.000 1.115 325 M CB 0.535 33.318 32.600 0.304 0.000 1.664 325 M HN 0.353 nan 8.290 nan 0.000 0.459 326 S N 3.713 119.482 115.700 0.115 0.000 2.547 326 S HA 0.850 5.320 4.470 -0.000 0.000 0.270 326 S C -1.790 172.982 174.600 0.287 0.000 1.150 326 S CA -0.928 57.274 58.200 0.004 0.000 0.850 326 S CB 1.867 65.023 63.200 -0.075 0.000 1.118 326 S HN 1.002 nan 8.310 nan 0.000 0.461 327 W N 0.316 121.789 121.300 0.288 0.000 3.059 327 W HA 0.667 5.326 4.660 -0.000 0.000 0.329 327 W C -1.360 175.294 176.519 0.225 0.000 1.246 327 W CA -0.555 56.953 57.345 0.273 0.000 1.190 327 W CB 0.743 30.421 29.460 0.363 0.000 1.423 327 W HN 1.132 nan 8.180 nan 0.000 0.571 328 S N 1.155 117.236 115.700 0.634 0.000 2.513 328 S HA 0.890 5.360 4.470 -0.000 0.000 0.299 328 S C -0.892 173.886 174.600 0.297 0.000 1.087 328 S CA -0.413 58.030 58.200 0.405 0.000 1.012 328 S CB 2.059 65.392 63.200 0.223 0.000 1.044 328 S HN 1.215 nan 8.310 nan 0.000 0.485 329 A N 1.956 124.891 122.820 0.192 0.000 2.454 329 A HA 0.905 5.225 4.320 -0.000 0.000 0.302 329 A C -0.440 177.059 177.584 -0.142 0.000 1.079 329 A CA -0.782 51.115 52.037 -0.233 0.000 0.731 329 A CB 1.852 20.469 19.000 -0.639 0.000 1.299 329 A HN 0.874 nan 8.150 nan 0.000 0.413 330 S N -0.842 114.704 115.700 -0.255 0.000 2.541 330 S HA 0.929 5.399 4.470 -0.000 0.000 0.280 330 S C -0.290 174.216 174.600 -0.156 0.000 1.112 330 S CA 0.001 58.115 58.200 -0.142 0.000 0.925 330 S CB 2.059 65.189 63.200 -0.117 0.000 1.067 330 S HN 2.130 nan 8.310 nan 0.000 0.479 331 G N 0.892 109.631 108.800 -0.102 0.000 2.376 331 G HA2 0.468 4.427 3.960 -0.000 0.000 0.302 331 G HA3 0.468 4.427 3.960 -0.000 0.000 0.302 331 G C -1.620 173.217 174.900 -0.106 0.000 1.586 331 G CA -0.550 44.496 45.100 -0.089 0.000 0.907 331 G HN 0.627 nan 8.290 nan 0.000 0.655 332 S N -0.407 115.222 115.700 -0.117 0.000 2.548 332 S HA 0.835 5.305 4.470 -0.000 0.000 0.286 332 S C -0.276 174.196 174.600 -0.213 0.000 1.098 332 S CA -0.669 57.436 58.200 -0.159 0.000 0.930 332 S CB 1.393 64.523 63.200 -0.115 0.000 1.070 332 S HN 0.628 nan 8.310 nan 0.000 0.480 333 L N 1.549 122.608 121.223 -0.273 0.000 2.323 333 L HA 0.933 5.273 4.340 -0.000 0.000 0.265 333 L C -0.374 176.384 176.870 -0.187 0.000 1.012 333 L CA -1.105 53.540 54.840 -0.324 0.000 0.820 333 L CB 1.768 43.552 42.059 -0.457 0.000 1.334 333 L HN 0.700 nan 8.230 nan 0.000 0.427 334 A N 1.605 124.346 122.820 -0.131 0.000 2.332 334 A HA 0.714 5.034 4.320 -0.000 0.000 0.300 334 A C -0.890 176.677 177.584 -0.028 0.000 1.153 334 A CA -0.469 51.532 52.037 -0.059 0.000 0.764 334 A CB 1.410 20.387 19.000 -0.038 0.000 1.174 334 A HN 0.365 nan 8.150 nan 0.000 0.467 335 V N 2.688 122.614 119.914 0.021 0.000 2.350 335 V HA 0.445 4.565 4.120 -0.000 0.000 0.276 335 V C 0.161 176.290 176.094 0.059 0.000 1.028 335 V CA -0.196 62.135 62.300 0.052 0.000 0.860 335 V CB 1.203 33.086 31.823 0.100 0.000 0.990 335 V HN 0.851 nan 8.190 nan 0.000 0.453 336 T N 6.564 121.100 114.554 -0.029 0.000 2.756 336 T HA 0.510 4.860 4.350 -0.000 0.000 0.290 336 T C -0.107 174.456 174.700 -0.229 0.000 0.985 336 T CA -0.263 61.776 62.100 -0.101 0.000 0.955 336 T CB 0.610 69.412 68.868 -0.110 0.000 0.930 336 T HN 0.330 nan 8.240 nan 0.000 0.451 337 I N 4.585 125.082 120.570 -0.121 0.000 2.291 337 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 337 I C 0.647 176.705 176.117 -0.097 0.000 1.050 337 I CA -0.779 60.456 61.300 -0.107 0.000 1.245 337 I CB 0.029 38.052 38.000 0.039 0.000 1.405 337 I HN 0.560 nan 8.210 nan 0.000 0.478 338 H N 5.283 124.379 119.070 0.043 0.000 3.107 338 H HA 0.057 4.612 4.556 -0.000 0.000 0.301 338 H C 1.491 176.835 175.328 0.026 0.000 0.981 338 H CA 0.957 57.023 56.048 0.029 0.000 1.443 338 H CB 0.428 30.204 29.762 0.022 0.000 1.479 338 H HN 0.945 nan 8.280 nan 0.000 0.564 339 G N 2.753 111.638 108.800 0.141 0.000 2.175 339 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.265 339 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.265 339 G C 1.590 176.546 174.900 0.094 0.000 0.979 339 G CA 0.841 45.996 45.100 0.090 0.000 0.663 339 G HN 0.870 nan 8.290 nan 0.000 0.533 340 G N 0.333 109.178 108.800 0.075 0.000 2.442 340 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.219 340 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.219 340 G C 1.325 176.260 174.900 0.058 0.000 1.141 340 G CA 1.372 46.511 45.100 0.064 0.000 0.763 340 G HN 0.529 nan 8.290 nan 0.000 0.554 341 N N -0.813 117.913 118.700 0.044 0.000 2.398 341 N HA 0.057 4.796 4.740 -0.000 0.000 0.188 341 N C -0.216 175.328 175.510 0.057 0.000 1.122 341 N CA -0.415 52.648 53.050 0.022 0.000 0.866 341 N CB -0.144 38.330 38.487 -0.021 0.000 0.970 341 N HN 0.460 nan 8.380 nan 0.000 0.462 342 Y N 2.477 122.763 120.300 -0.023 0.000 2.569 342 Y HA 0.165 4.715 4.550 -0.000 0.000 0.332 342 Y C -2.107 173.773 175.900 -0.033 0.000 1.120 342 Y CA -2.060 56.023 58.100 -0.029 0.000 1.416 342 Y CB 0.564 39.000 38.460 -0.039 0.000 1.210 342 Y HN -0.006 nan 8.280 nan 0.000 0.528 343 P HA 0.055 nan 4.420 nan 0.000 0.258 343 P C 0.475 177.736 177.300 -0.065 0.000 1.187 343 P CA 2.090 65.052 63.100 -0.229 0.000 0.767 343 P CB 0.332 31.829 31.700 -0.338 0.000 0.770 344 G N 3.250 112.087 108.800 0.062 0.000 2.259 344 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 344 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 344 G C 1.165 176.199 174.900 0.223 0.000 1.001 344 G CA 0.312 45.505 45.100 0.155 0.000 0.627 344 G HN 0.616 nan 8.290 nan 0.000 0.501 345 A N -0.282 122.658 122.820 0.201 0.000 1.929 345 A HA 0.569 4.889 4.320 -0.000 0.000 0.216 345 A C 2.236 179.950 177.584 0.216 0.000 1.176 345 A CA 1.963 54.101 52.037 0.169 0.000 0.628 345 A CB -0.179 18.886 19.000 0.109 0.000 0.816 345 A HN 0.870 nan 8.150 nan 0.000 0.444 346 L N -2.309 119.018 121.223 0.172 0.000 2.953 346 L HA 0.216 4.556 4.340 -0.000 0.000 0.258 346 L C 0.663 177.661 176.870 0.212 0.000 1.100 346 L CA -0.082 54.853 54.840 0.159 0.000 0.971 346 L CB 0.396 42.529 42.059 0.124 0.000 1.474 346 L HN 0.450 nan 8.230 nan 0.000 0.540 347 R N 0.460 121.054 120.500 0.157 0.000 2.807 347 R HA 0.588 4.927 4.340 -0.000 0.000 0.276 347 R C -2.977 173.383 176.300 0.100 0.000 0.979 347 R CA -1.704 54.464 56.100 0.114 0.000 0.928 347 R CB 1.541 31.847 30.300 0.009 0.000 1.191 347 R HN -0.293 nan 8.270 nan 0.000 0.471 348 P HA 0.252 nan 4.420 nan 0.000 0.293 348 P C -0.856 176.548 177.300 0.173 0.000 1.304 348 P CA -0.590 62.551 63.100 0.068 0.000 0.767 348 P CB 0.994 32.702 31.700 0.012 0.000 1.247 349 V N -0.670 119.349 119.914 0.175 0.000 2.760 349 V HA 0.357 4.476 4.120 -0.000 0.000 0.309 349 V C -0.306 175.854 176.094 0.110 0.000 1.077 349 V CA -0.291 62.103 62.300 0.156 0.000 0.910 349 V CB 2.254 34.192 31.823 0.192 0.000 1.008 349 V HN 0.539 nan 8.190 nan 0.000 0.424 350 T N 6.195 120.784 114.554 0.060 0.000 2.786 350 T HA 0.601 4.950 4.350 -0.000 0.000 0.283 350 T C -0.562 174.161 174.700 0.039 0.000 0.992 350 T CA -0.318 61.830 62.100 0.079 0.000 0.954 350 T CB 0.741 69.681 68.868 0.119 0.000 0.934 350 T HN 0.328 nan 8.240 nan 0.000 0.440 351 L N 3.503 124.723 121.223 -0.005 0.000 2.295 351 L HA 0.654 4.993 4.340 -0.000 0.000 0.285 351 L C -0.534 176.339 176.870 0.005 0.000 1.035 351 L CA -1.081 53.721 54.840 -0.064 0.000 0.806 351 L CB 1.624 43.607 42.059 -0.127 0.000 1.214 351 L HN 0.325 nan 8.230 nan 0.000 0.426 352 V N 2.798 122.732 119.914 0.032 0.000 2.376 352 V HA 0.562 4.682 4.120 -0.000 0.000 0.287 352 V C 0.230 176.380 176.094 0.094 0.000 1.015 352 V CA -0.464 61.899 62.300 0.105 0.000 0.834 352 V CB 1.495 33.454 31.823 0.227 0.000 1.001 352 V HN 0.873 nan 8.190 nan 0.000 0.428 353 A N 5.488 128.358 122.820 0.085 0.000 2.324 353 A HA 0.940 5.260 4.320 -0.000 0.000 0.330 353 A C -0.996 176.774 177.584 0.309 0.000 1.165 353 A CA -0.472 51.633 52.037 0.113 0.000 0.813 353 A CB 1.000 20.065 19.000 0.108 0.000 1.197 353 A HN 1.037 nan 8.150 nan 0.000 0.484 354 Y N -0.193 120.297 120.300 0.318 0.000 2.499 354 Y HA 0.780 5.329 4.550 -0.000 0.000 0.347 354 Y C -0.482 175.474 175.900 0.093 0.000 0.987 354 Y CA -1.168 57.083 58.100 0.252 0.000 1.044 354 Y CB 1.268 39.821 38.460 0.155 0.000 1.245 354 Y HN 0.875 nan 8.280 nan 0.000 0.461 355 E N 0.862 121.108 120.200 0.077 0.000 2.413 355 E HA 0.673 5.023 4.350 -0.000 0.000 0.277 355 E C -0.715 175.853 176.600 -0.053 0.000 0.958 355 E CA -1.415 54.915 56.400 -0.118 0.000 0.779 355 E CB 1.778 31.149 29.700 -0.548 0.000 1.278 355 E HN 0.581 nan 8.360 nan 0.000 0.456 356 R N -0.615 119.865 120.500 -0.032 0.000 3.872 356 R HA -0.097 4.243 4.340 -0.000 0.000 0.341 356 R C -1.083 175.230 176.300 0.021 0.000 1.172 356 R CA 0.888 56.976 56.100 -0.019 0.000 0.901 356 R CB -2.293 27.976 30.300 -0.051 0.000 1.422 356 R HN 0.417 nan 8.270 nan 0.000 0.523 357 V N 0.652 120.607 119.914 0.067 0.000 2.509 357 V HA 0.638 4.758 4.120 -0.000 0.000 0.284 357 V C 1.178 177.286 176.094 0.024 0.000 1.047 357 V CA -0.510 61.811 62.300 0.034 0.000 0.952 357 V CB 1.615 33.433 31.823 -0.008 0.000 0.988 357 V HN 0.384 nan 8.190 nan 0.000 0.469 358 A N 3.797 126.619 122.820 0.004 0.000 2.567 358 A HA 0.255 4.575 4.320 -0.000 0.000 0.240 358 A C 0.783 178.372 177.584 0.008 0.000 1.053 358 A CA 0.203 52.243 52.037 0.004 0.000 0.755 358 A CB -0.380 18.618 19.000 -0.003 0.000 0.978 358 A HN 0.857 nan 8.150 nan 0.000 0.507 359 T N 1.975 116.539 114.554 0.017 0.000 2.934 359 T HA 0.405 4.755 4.350 -0.000 0.000 0.306 359 T C 1.596 176.304 174.700 0.013 0.000 1.042 359 T CA 1.548 63.662 62.100 0.024 0.000 1.145 359 T CB 0.494 69.375 68.868 0.022 0.000 0.982 359 T HN 2.061 nan 8.240 nan 0.000 0.544 360 G N 2.838 111.648 108.800 0.016 0.000 2.179 360 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.260 360 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.260 360 G C 0.473 175.369 174.900 -0.006 0.000 0.977 360 G CA 0.195 45.300 45.100 0.008 0.000 0.641 360 G HN 0.791 nan 8.290 nan 0.000 0.533 361 S N -1.030 114.659 115.700 -0.018 0.000 2.608 361 S HA 0.552 5.021 4.470 -0.000 0.000 0.261 361 S C 0.429 174.996 174.600 -0.055 0.000 1.314 361 S CA -0.031 58.146 58.200 -0.038 0.000 0.992 361 S CB 2.043 65.209 63.200 -0.056 0.000 0.935 361 S HN 0.723 nan 8.310 nan 0.000 0.564 362 V N 2.032 121.909 119.914 -0.062 0.000 2.384 362 V HA 0.336 4.456 4.120 -0.000 0.000 0.287 362 V C -0.454 175.577 176.094 -0.104 0.000 1.020 362 V CA -0.617 61.641 62.300 -0.069 0.000 0.850 362 V CB 1.557 33.355 31.823 -0.041 0.000 0.987 362 V HN 0.626 nan 8.190 nan 0.000 0.436 363 V N 4.415 124.236 119.914 -0.154 0.000 2.364 363 V HA 0.344 4.464 4.120 -0.000 0.000 0.272 363 V C 0.467 176.502 176.094 -0.098 0.000 1.036 363 V CA -0.199 61.992 62.300 -0.181 0.000 0.880 363 V CB 1.552 33.173 31.823 -0.337 0.000 0.991 363 V HN 0.933 nan 8.190 nan 0.000 0.460 364 T N 4.989 119.515 114.554 -0.047 0.000 2.799 364 T HA 0.547 4.897 4.350 -0.000 0.000 0.286 364 T C -0.214 174.508 174.700 0.036 0.000 0.973 364 T CA -0.264 61.835 62.100 -0.002 0.000 1.035 364 T CB 1.561 70.428 68.868 -0.003 0.000 0.932 364 T HN 0.342 nan 8.240 nan 0.000 0.469 365 V N 2.495 122.460 119.914 0.086 0.000 2.495 365 V HA 0.828 4.947 4.120 -0.000 0.000 0.298 365 V C -0.256 175.909 176.094 0.118 0.000 1.031 365 V CA -0.742 61.641 62.300 0.138 0.000 0.871 365 V CB 1.540 33.512 31.823 0.250 0.000 0.988 365 V HN 1.081 nan 8.190 nan 0.000 0.432 366 A N 3.474 126.336 122.820 0.071 0.000 2.408 366 A HA 0.967 5.287 4.320 -0.000 0.000 0.295 366 A C -0.212 177.377 177.584 0.010 0.000 1.040 366 A CA 0.119 52.180 52.037 0.040 0.000 0.707 366 A CB 1.790 20.800 19.000 0.017 0.000 1.235 366 A HN 1.277 nan 8.150 nan 0.000 0.418 367 G N -0.330 108.483 108.800 0.021 0.000 2.645 367 G HA2 0.662 4.622 3.960 -0.000 0.000 0.292 367 G HA3 0.662 4.622 3.960 -0.000 0.000 0.292 367 G C -1.775 173.130 174.900 0.009 0.000 1.415 367 G CA -0.418 44.674 45.100 -0.014 0.000 0.785 367 G HN 1.256 nan 8.290 nan 0.000 0.483 368 V N -0.093 119.812 119.914 -0.014 0.000 2.789 368 V HA 0.748 4.867 4.120 -0.000 0.000 0.311 368 V C -0.310 175.769 176.094 -0.025 0.000 1.073 368 V CA -0.768 61.533 62.300 0.003 0.000 0.921 368 V CB 1.950 33.771 31.823 -0.004 0.000 1.009 368 V HN 0.765 nan 8.190 nan 0.000 0.426 369 S N 3.455 119.150 115.700 -0.007 0.000 2.502 369 S HA 0.570 5.040 4.470 -0.000 0.000 0.304 369 S C -0.729 173.718 174.600 -0.254 0.000 1.097 369 S CA -0.788 57.322 58.200 -0.150 0.000 1.045 369 S CB 1.180 64.365 63.200 -0.026 0.000 1.019 369 S HN 0.756 nan 8.310 nan 0.000 0.481 370 N N 1.953 120.388 118.700 -0.441 0.000 2.372 370 N HA 0.599 5.339 4.740 -0.000 0.000 0.291 370 N C -1.451 173.733 175.510 -0.542 0.000 1.024 370 N CA -0.191 52.682 53.050 -0.294 0.000 0.873 370 N CB 1.333 39.748 38.487 -0.120 0.000 1.206 370 N HN 0.380 nan 8.380 nan 0.000 0.486 371 F N -0.010 119.951 119.950 0.018 0.000 2.603 371 F HA 0.376 4.903 4.527 -0.000 0.000 0.317 371 F C 0.567 176.370 175.800 0.004 0.000 1.066 371 F CA -0.872 57.123 58.000 -0.010 0.000 0.941 371 F CB 1.742 40.706 39.000 -0.060 0.000 1.291 371 F HN 0.143 nan 8.300 nan 0.000 0.472 372 E N 2.147 122.469 120.200 0.203 0.000 2.156 372 E HA 0.658 5.007 4.350 -0.000 0.000 0.279 372 E C -1.237 175.496 176.600 0.221 0.000 0.965 372 E CA -0.460 56.034 56.400 0.158 0.000 0.789 372 E CB 1.769 31.382 29.700 -0.145 0.000 1.098 372 E HN 0.406 nan 8.360 nan 0.000 0.397 373 L N 3.115 124.491 121.223 0.256 0.000 2.376 373 L HA 0.592 4.932 4.340 -0.000 0.000 0.258 373 L C -0.687 176.369 176.870 0.310 0.000 1.013 373 L CA -0.887 54.062 54.840 0.182 0.000 0.822 373 L CB 1.956 43.826 42.059 -0.315 0.000 1.388 373 L HN 0.429 nan 8.230 nan 0.000 0.413 374 I N 3.104 123.884 120.570 0.350 0.000 2.410 374 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 374 I C -2.234 174.114 176.117 0.386 0.000 1.009 374 I CA -1.889 59.586 61.300 0.291 0.000 1.111 374 I CB 2.172 40.299 38.000 0.211 0.000 1.262 374 I HN 0.265 nan 8.210 nan 0.000 0.443 375 P HA 0.038 nan 4.420 nan 0.000 0.270 375 P C -0.978 176.335 177.300 0.022 0.000 1.223 375 P CA -0.303 62.860 63.100 0.104 0.000 0.785 375 P CB 0.533 32.243 31.700 0.017 0.000 0.923 376 N N 2.011 120.652 118.700 -0.099 0.000 2.317 376 N HA 0.103 4.843 4.740 -0.000 0.000 0.245 376 N C -1.955 173.527 175.510 -0.046 0.000 1.294 376 N CA -1.617 51.399 53.050 -0.057 0.000 0.924 376 N CB -1.474 36.958 38.487 -0.092 0.000 1.186 376 N HN 0.156 nan 8.380 nan 0.000 0.495 377 P HA -0.177 nan 4.420 nan 0.000 0.216 377 P C 0.999 178.279 177.300 -0.033 0.000 1.157 377 P CA 1.582 64.669 63.100 -0.022 0.000 0.880 377 P CB 0.151 31.842 31.700 -0.016 0.000 0.791 378 E N -0.828 119.344 120.200 -0.046 0.000 2.047 378 E HA -0.137 4.212 4.350 -0.000 0.000 0.191 378 E C 1.824 178.390 176.600 -0.056 0.000 0.987 378 E CA 0.847 57.219 56.400 -0.046 0.000 0.799 378 E CB -1.134 28.537 29.700 -0.049 0.000 0.752 378 E HN 0.018 nan 8.360 nan 0.000 0.449 379 L N -0.103 121.068 121.223 -0.087 0.000 2.201 379 L HA 0.014 4.354 4.340 -0.000 0.000 0.212 379 L C 2.016 178.851 176.870 -0.058 0.000 1.105 379 L CA 1.527 56.308 54.840 -0.099 0.000 0.775 379 L CB -0.549 41.389 42.059 -0.201 0.000 0.913 379 L HN 0.181 nan 8.230 nan 0.000 0.440 380 A N -0.805 121.989 122.820 -0.043 0.000 2.024 380 A HA -0.233 4.086 4.320 -0.000 0.000 0.220 380 A C 2.248 179.823 177.584 -0.015 0.000 1.164 380 A CA 1.651 53.678 52.037 -0.017 0.000 0.643 380 A CB -0.461 18.533 19.000 -0.010 0.000 0.806 380 A HN 0.473 nan 8.150 nan 0.000 0.451 381 K N -0.629 119.759 120.400 -0.019 0.000 2.211 381 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 381 K C 0.718 177.312 176.600 -0.011 0.000 1.050 381 K CA 1.155 57.434 56.287 -0.015 0.000 0.945 381 K CB -0.046 32.444 32.500 -0.016 0.000 0.732 381 K HN 0.411 nan 8.250 nan 0.000 0.451 382 N N -0.036 118.657 118.700 -0.012 0.000 2.159 382 N HA 0.030 4.770 4.740 -0.000 0.000 0.217 382 N C -0.990 174.522 175.510 0.003 0.000 1.223 382 N CA -0.023 53.024 53.050 -0.005 0.000 0.896 382 N CB 0.873 39.355 38.487 -0.008 0.000 1.064 382 N HN -0.005 nan 8.380 nan 0.000 0.518 383 L N 2.373 123.600 121.223 0.006 0.000 2.316 383 L HA 0.457 4.797 4.340 -0.000 0.000 0.280 383 L C -0.383 176.499 176.870 0.020 0.000 1.006 383 L CA -0.687 54.168 54.840 0.025 0.000 0.836 383 L CB 1.157 43.242 42.059 0.044 0.000 1.221 383 L HN -0.300 nan 8.230 nan 0.000 0.418 384 V N 4.215 124.138 119.914 0.015 0.000 2.715 384 V HA 0.421 4.541 4.120 -0.000 0.000 0.299 384 V C 0.695 176.781 176.094 -0.014 0.000 1.054 384 V CA -0.032 62.267 62.300 -0.003 0.000 1.077 384 V CB 1.458 33.278 31.823 -0.004 0.000 0.972 384 V HN 0.943 nan 8.190 nan 0.000 0.484 385 T N 2.086 116.611 114.554 -0.048 0.000 2.887 385 T HA 0.837 5.187 4.350 -0.000 0.000 0.288 385 T C -0.785 173.816 174.700 -0.164 0.000 1.021 385 T CA -0.864 61.179 62.100 -0.095 0.000 1.000 385 T CB 2.427 71.242 68.868 -0.087 0.000 1.034 385 T HN 0.666 nan 8.240 nan 0.000 0.467 386 E N -0.135 119.912 120.200 -0.255 0.000 2.458 386 E HA 0.362 4.712 4.350 -0.000 0.000 0.278 386 E C -0.538 175.846 176.600 -0.361 0.000 1.004 386 E CA -0.886 55.362 56.400 -0.252 0.000 0.823 386 E CB 1.431 31.058 29.700 -0.122 0.000 1.396 386 E HN 0.667 nan 8.360 nan 0.000 0.463 387 Y N 0.771 121.021 120.300 -0.082 0.000 2.395 387 Y HA 0.194 4.744 4.550 -0.000 0.000 0.293 387 Y C 1.063 176.982 175.900 0.031 0.000 1.123 387 Y CA 1.174 59.274 58.100 -0.001 0.000 1.227 387 Y CB 0.593 39.064 38.460 0.018 0.000 1.012 387 Y HN 0.689 nan 8.280 nan 0.000 0.552 388 G N 1.052 109.915 108.800 0.105 0.000 3.039 388 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.686 388 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.686 388 G C -0.822 174.185 174.900 0.178 0.000 1.066 388 G CA -1.185 43.992 45.100 0.128 0.000 0.774 388 G HN 0.064 nan 8.290 nan 0.000 0.591 389 R N 0.106 120.694 120.500 0.147 0.000 2.489 389 R HA -0.048 4.291 4.340 -0.000 0.000 0.287 389 R C 0.432 176.865 176.300 0.222 0.000 0.902 389 R CA 0.076 56.268 56.100 0.153 0.000 1.136 389 R CB -0.239 30.123 30.300 0.105 0.000 0.872 389 R HN 0.575 nan 8.270 nan 0.000 0.421 390 F N 3.356 123.328 119.950 0.036 0.000 2.438 390 F HA 0.135 4.662 4.527 -0.000 0.000 0.356 390 F C 0.088 175.900 175.800 0.021 0.000 1.099 390 F CA -1.171 56.842 58.000 0.023 0.000 1.185 390 F CB 0.629 39.635 39.000 0.011 0.000 1.115 390 F HN 0.363 nan 8.300 nan 0.000 0.526 391 D N 9.048 129.177 120.400 -0.451 0.000 2.405 391 D HA 0.254 4.894 4.640 -0.000 0.000 0.264 391 D C -1.629 174.326 176.300 -0.575 0.000 1.240 391 D CA -1.852 51.879 54.000 -0.447 0.000 0.893 391 D CB 1.286 42.010 40.800 -0.127 0.000 1.198 391 D HN 0.241 nan 8.370 nan 0.000 0.514 392 P HA -0.169 nan 4.420 nan 0.000 0.222 392 P C 1.035 178.237 177.300 -0.163 0.000 1.157 392 P CA 1.445 64.215 63.100 -0.551 0.000 0.905 392 P CB 0.287 31.725 31.700 -0.436 0.000 0.792 393 G N -1.890 106.834 108.800 -0.128 0.000 3.502 393 G HA2 0.349 4.309 3.960 -0.000 0.000 0.267 393 G HA3 0.349 4.309 3.960 -0.000 0.000 0.267 393 G C 1.468 176.400 174.900 0.054 0.000 1.090 393 G CA 0.529 45.620 45.100 -0.014 0.000 0.795 393 G HN 0.397 nan 8.290 nan 0.000 0.535 394 A N 0.827 123.662 122.820 0.026 0.000 1.877 394 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 394 A C 2.169 179.846 177.584 0.155 0.000 1.186 394 A CA 2.046 54.153 52.037 0.116 0.000 0.620 394 A CB -0.234 18.809 19.000 0.072 0.000 0.822 394 A HN 0.408 nan 8.150 nan 0.000 0.443 395 M N 0.379 120.017 119.600 0.063 0.000 2.132 395 M HA -0.072 4.407 4.480 -0.000 0.000 0.263 395 M C 1.522 177.892 176.300 0.117 0.000 1.065 395 M CA 1.618 56.949 55.300 0.051 0.000 1.122 395 M CB -0.764 31.839 32.600 0.004 0.000 1.365 395 M HN 0.399 nan 8.290 nan 0.000 0.411 396 N N -0.982 117.791 118.700 0.121 0.000 2.166 396 N HA -0.194 4.545 4.740 -0.000 0.000 0.186 396 N C 1.736 177.344 175.510 0.163 0.000 1.019 396 N CA 1.415 54.540 53.050 0.125 0.000 0.856 396 N CB -0.505 38.049 38.487 0.111 0.000 0.993 396 N HN 0.498 nan 8.380 nan 0.000 0.426 397 Y N 2.004 122.354 120.300 0.084 0.000 2.242 397 Y HA -0.112 4.438 4.550 -0.000 0.000 0.291 397 Y C 2.337 178.323 175.900 0.142 0.000 1.137 397 Y CA 1.337 59.499 58.100 0.104 0.000 1.181 397 Y CB -0.498 38.023 38.460 0.101 0.000 0.989 397 Y HN -0.015 nan 8.280 nan 0.000 0.527 398 T N 0.383 115.042 114.554 0.175 0.000 2.708 398 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 398 T C 1.795 176.555 174.700 0.101 0.000 1.037 398 T CA 1.846 64.052 62.100 0.176 0.000 1.146 398 T CB -0.156 68.922 68.868 0.349 0.000 0.865 398 T HN 0.291 nan 8.240 nan 0.000 0.435 399 K N 0.589 121.051 120.400 0.104 0.000 2.097 399 K HA -0.024 4.295 4.320 -0.000 0.000 0.206 399 K C 2.234 178.845 176.600 0.018 0.000 1.049 399 K CA 0.879 57.210 56.287 0.073 0.000 0.933 399 K CB -0.391 32.154 32.500 0.075 0.000 0.717 399 K HN 0.158 nan 8.250 nan 0.000 0.442 400 L N 1.526 122.738 121.223 -0.019 0.000 1.994 400 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 400 L C 1.965 178.783 176.870 -0.088 0.000 1.071 400 L CA 1.569 56.377 54.840 -0.053 0.000 0.745 400 L CB -0.406 41.611 42.059 -0.070 0.000 0.892 400 L HN 0.047 nan 8.230 nan 0.000 0.431 401 I N -0.195 120.271 120.570 -0.173 0.000 2.118 401 I HA -0.320 3.850 4.170 -0.000 0.000 0.241 401 I C 2.625 178.723 176.117 -0.031 0.000 1.070 401 I CA 1.651 62.877 61.300 -0.123 0.000 1.327 401 I CB -1.368 36.542 38.000 -0.150 0.000 1.034 401 I HN 0.324 nan 8.210 nan 0.000 0.405 402 L N 0.576 121.795 121.223 -0.007 0.000 2.083 402 L HA -0.196 4.143 4.340 -0.000 0.000 0.209 402 L C 2.698 179.563 176.870 -0.009 0.000 1.083 402 L CA 1.603 56.447 54.840 0.005 0.000 0.752 402 L CB -0.679 41.398 42.059 0.029 0.000 0.899 402 L HN 0.341 nan 8.230 nan 0.000 0.433 403 S N -1.065 114.631 115.700 -0.008 0.000 2.423 403 S HA -0.117 4.352 4.470 -0.000 0.000 0.231 403 S C 1.511 176.104 174.600 -0.012 0.000 1.014 403 S CA 0.772 58.966 58.200 -0.010 0.000 0.965 403 S CB -0.159 63.038 63.200 -0.004 0.000 0.785 403 S HN 0.356 nan 8.310 nan 0.000 0.495 404 E N 1.064 121.258 120.200 -0.010 0.000 2.419 404 E HA 0.184 4.534 4.350 -0.000 0.000 0.190 404 E C 1.582 178.179 176.600 -0.005 0.000 1.040 404 E CA -0.222 56.175 56.400 -0.004 0.000 0.900 404 E CB -0.141 29.562 29.700 0.006 0.000 1.054 404 E HN 0.610 nan 8.360 nan 0.000 0.462 405 R N 1.268 121.757 120.500 -0.017 0.000 2.134 405 R HA -0.242 4.097 4.340 -0.000 0.000 0.248 405 R C 1.120 177.387 176.300 -0.054 0.000 1.143 405 R CA 1.738 57.818 56.100 -0.033 0.000 0.957 405 R CB 0.264 30.535 30.300 -0.048 0.000 0.867 405 R HN -0.035 nan 8.270 nan 0.000 0.441 406 E N -0.050 120.119 120.200 -0.052 0.000 2.047 406 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 406 E C 2.031 178.604 176.600 -0.045 0.000 0.987 406 E CA 1.260 57.623 56.400 -0.061 0.000 0.799 406 E CB -0.225 29.445 29.700 -0.050 0.000 0.752 406 E HN 0.300 nan 8.360 nan 0.000 0.449 407 R N 0.046 120.534 120.500 -0.020 0.000 2.115 407 R HA -0.015 4.325 4.340 -0.000 0.000 0.230 407 R C 1.800 178.109 176.300 0.016 0.000 1.111 407 R CA 0.878 56.977 56.100 -0.001 0.000 0.976 407 R CB -0.082 30.224 30.300 0.011 0.000 0.870 407 R HN 0.200 nan 8.270 nan 0.000 0.445 408 L N -0.700 120.539 121.223 0.027 0.000 2.509 408 L HA 0.215 4.554 4.340 -0.000 0.000 0.222 408 L C 1.075 177.973 176.870 0.047 0.000 1.123 408 L CA 0.486 55.374 54.840 0.079 0.000 0.856 408 L CB 0.220 42.352 42.059 0.122 0.000 0.985 408 L HN 0.503 nan 8.230 nan 0.000 0.456 409 G N 1.463 110.232 108.800 -0.051 0.000 2.221 409 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.265 409 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.265 409 G C 0.127 174.833 174.900 -0.324 0.000 1.041 409 G CA -0.194 44.805 45.100 -0.167 0.000 0.807 409 G HN 0.307 nan 8.290 nan 0.000 0.502 410 I N 0.899 121.331 120.570 -0.231 0.000 2.347 410 I HA 0.188 4.357 4.170 -0.000 0.000 0.294 410 I C 0.955 176.834 176.117 -0.396 0.000 1.090 410 I CA 0.152 61.303 61.300 -0.250 0.000 1.314 410 I CB 0.363 38.332 38.000 -0.052 0.000 1.423 410 I HN 0.096 nan 8.210 nan 0.000 0.503 411 K N 3.666 123.554 120.400 -0.853 0.000 2.106 411 K HA 0.400 4.719 4.320 -0.000 0.000 0.246 411 K C 1.018 177.367 176.600 -0.418 0.000 0.987 411 K CA -0.580 55.178 56.287 -0.881 0.000 0.904 411 K CB 1.273 32.849 32.500 -1.540 0.000 1.071 411 K HN 0.547 nan 8.250 nan 0.000 0.453 412 T N -3.189 111.193 114.554 -0.286 0.000 3.040 412 T HA 0.059 4.409 4.350 -0.000 0.000 0.252 412 T C 0.731 175.403 174.700 -0.047 0.000 1.064 412 T CA -0.112 61.937 62.100 -0.085 0.000 1.110 412 T CB -0.100 68.725 68.868 -0.072 0.000 0.921 412 T HN 0.396 nan 8.240 nan 0.000 0.480 413 V N -1.526 118.286 119.914 -0.170 0.000 2.638 413 V HA 0.840 4.960 4.120 -0.000 0.000 0.306 413 V C -1.855 174.157 176.094 -0.137 0.000 1.052 413 V CA -1.640 60.627 62.300 -0.055 0.000 0.885 413 V CB 1.069 32.864 31.823 -0.047 0.000 0.999 413 V HN 0.365 nan 8.190 nan 0.000 0.424 414 W N 2.943 124.184 121.300 -0.099 0.000 2.962 414 W HA 0.766 5.426 4.660 -0.001 0.000 0.341 414 W C -2.938 173.571 176.519 -0.017 0.000 1.155 414 W CA -2.563 54.749 57.345 -0.054 0.000 1.165 414 W CB 1.477 30.924 29.460 -0.022 0.000 1.435 414 W HN 0.317 nan 8.180 nan 0.000 0.546 415 P HA 0.175 nan 4.420 nan 0.000 0.287 415 P C 0.800 178.235 177.300 0.225 0.000 1.281 415 P CA 0.169 63.377 63.100 0.180 0.000 0.781 415 P CB 1.110 32.896 31.700 0.143 0.000 0.903 416 T N 2.524 117.174 114.554 0.161 0.000 2.721 416 T HA -0.216 4.133 4.350 -0.000 0.000 0.268 416 T C 1.752 176.548 174.700 0.159 0.000 1.038 416 T CA 1.366 63.557 62.100 0.152 0.000 1.145 416 T CB -0.302 68.622 68.868 0.093 0.000 0.858 416 T HN 0.427 nan 8.240 nan 0.000 0.459 417 R N 0.608 121.186 120.500 0.130 0.000 2.105 417 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 417 R C 2.459 178.835 176.300 0.128 0.000 1.135 417 R CA 1.439 57.603 56.100 0.107 0.000 0.967 417 R CB -0.156 30.196 30.300 0.088 0.000 0.861 417 R HN 0.586 nan 8.270 nan 0.000 0.442 418 E N -0.830 119.483 120.200 0.189 0.000 2.107 418 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 418 E C 1.663 178.417 176.600 0.256 0.000 0.982 418 E CA 0.931 57.478 56.400 0.245 0.000 0.809 418 E CB -0.151 29.740 29.700 0.318 0.000 0.756 418 E HN 0.338 nan 8.360 nan 0.000 0.459 419 Y N 1.744 122.073 120.300 0.048 0.000 2.224 419 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 419 Y C 2.294 178.087 175.900 -0.177 0.000 1.146 419 Y CA 1.653 59.503 58.100 -0.418 0.000 1.182 419 Y CB -0.349 37.715 38.460 -0.660 0.000 0.983 419 Y HN -0.109 nan 8.280 nan 0.000 0.524 420 T N 0.324 114.803 114.554 -0.125 0.000 2.821 420 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 420 T C 1.328 175.963 174.700 -0.108 0.000 1.046 420 T CA 1.589 63.595 62.100 -0.156 0.000 1.139 420 T CB -0.284 68.570 68.868 -0.022 0.000 0.871 420 T HN 0.403 nan 8.240 nan 0.000 0.454 421 D N 0.652 121.051 120.400 -0.003 0.000 2.144 421 D HA -0.042 4.597 4.640 -0.000 0.000 0.200 421 D C 1.713 178.061 176.300 0.079 0.000 0.978 421 D CA 0.658 54.695 54.000 0.061 0.000 0.833 421 D CB -0.442 40.418 40.800 0.099 0.000 0.961 421 D HN 0.376 nan 8.370 nan 0.000 0.470 422 F N 2.303 122.174 119.950 -0.131 0.000 2.171 422 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 422 F C 2.175 177.880 175.800 -0.157 0.000 1.090 422 F CA 1.297 59.219 58.000 -0.130 0.000 1.293 422 F CB 0.015 38.849 39.000 -0.277 0.000 1.013 422 F HN -0.206 nan 8.300 nan 0.000 0.486 423 R N 0.417 120.659 120.500 -0.430 0.000 2.081 423 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 423 R C 2.117 178.297 176.300 -0.200 0.000 1.131 423 R CA 1.817 57.647 56.100 -0.450 0.000 0.960 423 R CB -0.598 29.447 30.300 -0.426 0.000 0.856 423 R HN 0.439 nan 8.270 nan 0.000 0.436 424 E N 0.063 120.199 120.200 -0.107 0.000 2.031 424 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 424 E C 1.686 178.280 176.600 -0.010 0.000 0.994 424 E CA 1.128 57.504 56.400 -0.039 0.000 0.800 424 E CB -0.239 29.463 29.700 0.005 0.000 0.752 424 E HN 0.315 nan 8.360 nan 0.000 0.447 425 Y N -0.419 119.821 120.300 -0.101 0.000 2.556 425 Y HA -0.214 4.336 4.550 -0.000 0.000 0.290 425 Y C 1.767 177.614 175.900 -0.088 0.000 1.149 425 Y CA 1.224 59.283 58.100 -0.067 0.000 1.329 425 Y CB -0.021 38.435 38.460 -0.007 0.000 0.975 425 Y HN 0.081 nan 8.280 nan 0.000 0.561 426 F N -1.079 118.740 119.950 -0.218 0.000 2.274 426 F HA -0.019 4.508 4.527 -0.000 0.000 0.288 426 F C 1.884 177.575 175.800 -0.182 0.000 1.069 426 F CA 0.655 58.492 58.000 -0.272 0.000 1.343 426 F CB -0.095 38.585 39.000 -0.533 0.000 1.089 426 F HN -0.190 nan 8.300 nan 0.000 0.517 427 M N 0.764 120.282 119.600 -0.137 0.000 2.748 427 M HA -0.009 4.471 4.480 -0.000 0.000 0.241 427 M C -0.509 175.669 176.300 -0.203 0.000 1.080 427 M CA 1.108 56.297 55.300 -0.184 0.000 1.068 427 M CB -0.509 32.041 32.600 -0.083 0.000 1.536 427 M HN 0.179 nan 8.290 nan 0.000 0.540 428 E N 0.000 120.065 120.200 -0.224 0.000 2.725 428 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 428 E CA 0.000 56.276 56.400 -0.206 0.000 0.976 428 E CB 0.000 29.580 29.700 -0.200 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440