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_K DATA FIRST_RESID 12 DATA SEQUENCE VPFIRSLLMP TTGPASIPDD TLEKHTLRSE TSTYNLTVGD TGSGLIVFFP DATA SEQUENCE GFPGSIVGAH YTLQSNGNYK FDQMLLTAQN LPASYNYCRL VSRSLTVRSS DATA SEQUENCE TLPGGVXXLN 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 FREYFMEVA 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 0.000 176.158 176.094 0.107 0.000 1.182 12 V CA 0.000 62.331 62.300 0.051 0.000 1.235 12 V CB 0.000 31.868 31.823 0.076 0.000 1.184 13 P HA -0.254 nan 4.420 nan 0.000 0.219 13 P C 1.605 178.939 177.300 0.057 0.000 1.161 13 P CA 1.760 64.906 63.100 0.077 0.000 0.909 13 P CB 0.122 31.873 31.700 0.085 0.000 0.793 14 F N 0.083 120.065 119.950 0.053 0.000 2.095 14 F HA -0.198 4.329 4.527 -0.001 0.000 0.298 14 F C 2.071 177.915 175.800 0.072 0.000 1.104 14 F CA 1.442 59.468 58.000 0.042 0.000 1.232 14 F CB -0.692 38.314 39.000 0.010 0.000 0.987 14 F HN -0.224 nan 8.300 nan 0.000 0.475 15 I N 0.274 120.809 120.570 -0.059 0.000 2.286 15 I HA -0.274 3.895 4.170 -0.000 0.000 0.248 15 I C 2.534 178.601 176.117 -0.084 0.000 1.115 15 I CA 1.517 62.816 61.300 -0.001 0.000 1.392 15 I CB -1.271 36.926 38.000 0.329 0.000 1.065 15 I HN 0.212 nan 8.210 nan 0.000 0.418 16 R N 0.679 121.178 120.500 -0.001 0.000 2.081 16 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 16 R C 2.594 178.808 176.300 -0.144 0.000 1.131 16 R CA 1.854 57.945 56.100 -0.016 0.000 0.960 16 R CB -0.147 30.203 30.300 0.084 0.000 0.856 16 R HN 0.168 nan 8.270 nan 0.000 0.436 17 S N 0.176 115.750 115.700 -0.209 0.000 2.355 17 S HA -0.107 4.362 4.470 -0.000 0.000 0.222 17 S C 1.812 176.243 174.600 -0.282 0.000 1.031 17 S CA 1.074 59.135 58.200 -0.232 0.000 0.993 17 S CB -0.297 62.750 63.200 -0.255 0.000 0.859 17 S HN 0.344 nan 8.310 nan 0.000 0.453 18 L N 1.700 122.649 121.223 -0.456 0.000 2.012 18 L HA 0.044 4.384 4.340 -0.000 0.000 0.210 18 L C 1.977 178.761 176.870 -0.144 0.000 1.073 18 L CA 1.888 56.533 54.840 -0.325 0.000 0.748 18 L CB -0.683 41.156 42.059 -0.368 0.000 0.891 18 L HN 0.395 nan 8.230 nan 0.000 0.431 19 L N -1.691 119.441 121.223 -0.151 0.000 2.375 19 L HA 0.043 4.383 4.340 -0.000 0.000 0.215 19 L C 0.666 177.522 176.870 -0.023 0.000 1.108 19 L CA 0.330 55.128 54.840 -0.069 0.000 0.830 19 L CB -0.068 41.882 42.059 -0.180 0.000 0.959 19 L HN 0.245 nan 8.230 nan 0.000 0.457 20 M N -0.752 118.792 119.600 -0.093 0.000 2.353 20 M HA 0.239 4.719 4.480 -0.000 0.000 0.218 20 M C -1.997 174.277 176.300 -0.044 0.000 1.044 20 M CA -1.259 54.027 55.300 -0.024 0.000 0.615 20 M CB 1.546 34.089 32.600 -0.095 0.000 1.531 20 M HN -0.268 nan 8.290 nan 0.000 0.378 21 P HA -0.199 nan 4.420 nan 0.000 0.217 21 P C 1.402 178.669 177.300 -0.054 0.000 1.151 21 P CA 1.729 64.782 63.100 -0.077 0.000 0.849 21 P CB -0.211 31.432 31.700 -0.096 0.000 0.787 22 T N -4.363 110.174 114.554 -0.029 0.000 3.025 22 T HA -0.117 4.233 4.350 -0.000 0.000 0.270 22 T C 1.504 176.196 174.700 -0.014 0.000 1.126 22 T CA 1.615 63.704 62.100 -0.018 0.000 1.105 22 T CB -1.582 67.285 68.868 -0.002 0.000 0.884 22 T HN 0.247 nan 8.240 nan 0.000 0.522 23 T N -1.892 112.650 114.554 -0.020 0.000 3.113 23 T HA 0.497 4.846 4.350 -0.000 0.000 0.256 23 T C 1.155 175.849 174.700 -0.010 0.000 1.131 23 T CA 0.200 62.292 62.100 -0.013 0.000 1.074 23 T CB -0.418 68.442 68.868 -0.014 0.000 0.944 23 T HN 1.099 nan 8.240 nan 0.000 0.516 24 G N 1.478 110.267 108.800 -0.019 0.000 2.381 24 G HA2 0.273 4.233 3.960 -0.000 0.000 0.672 24 G HA3 0.273 4.233 3.960 -0.000 0.000 0.672 24 G C -3.420 171.469 174.900 -0.018 0.000 1.324 24 G CA -0.650 44.446 45.100 -0.008 0.000 0.975 24 G HN 0.278 nan 8.290 nan 0.000 0.593 25 P HA 0.738 nan 4.420 nan 0.000 0.283 25 P C -0.400 176.934 177.300 0.056 0.000 1.278 25 P CA 0.253 63.363 63.100 0.018 0.000 0.834 25 P CB 2.060 33.787 31.700 0.044 0.000 1.150 26 A N 0.087 122.968 122.820 0.103 0.000 2.612 26 A HA 0.565 4.885 4.320 -0.000 0.000 0.293 26 A C -0.646 177.100 177.584 0.270 0.000 1.075 26 A CA -0.504 51.637 52.037 0.174 0.000 0.680 26 A CB 0.645 19.743 19.000 0.163 0.000 1.279 26 A HN 0.358 nan 8.150 nan 0.000 0.411 27 S N 0.458 116.325 115.700 0.278 0.000 2.565 27 S HA 0.457 4.927 4.470 -0.000 0.000 0.274 27 S C 0.217 174.894 174.600 0.128 0.000 1.309 27 S CA -0.216 58.133 58.200 0.248 0.000 1.043 27 S CB 0.200 63.596 63.200 0.326 0.000 0.939 27 S HN 0.455 nan 8.310 nan 0.000 0.504 28 I N 5.056 125.578 120.570 -0.080 0.000 2.598 28 I HA 0.128 4.298 4.170 -0.000 0.000 0.284 28 I C -1.471 174.360 176.117 -0.477 0.000 1.140 28 I CA -1.424 59.536 61.300 -0.567 0.000 1.420 28 I CB 0.455 38.177 38.000 -0.463 0.000 1.387 28 I HN 0.429 nan 8.210 nan 0.000 0.553 29 P HA 0.056 nan 4.420 nan 0.000 0.228 29 P C -1.038 176.111 177.300 -0.252 0.000 1.748 29 P CA -0.171 62.735 63.100 -0.323 0.000 0.909 29 P CB -0.446 31.083 31.700 -0.285 0.000 1.882 30 D N -0.919 119.349 120.400 -0.220 0.000 2.509 30 D HA 0.130 4.769 4.640 -0.000 0.000 0.275 30 D C 0.446 176.736 176.300 -0.017 0.000 1.189 30 D CA -0.361 53.572 54.000 -0.113 0.000 1.098 30 D CB -0.083 40.658 40.800 -0.099 0.000 1.177 30 D HN -0.174 nan 8.370 nan 0.000 0.599 31 D N -1.314 119.093 120.400 0.011 0.000 2.395 31 D HA 0.064 4.704 4.640 -0.000 0.000 0.213 31 D C -0.100 176.232 176.300 0.053 0.000 1.110 31 D CA 0.224 54.242 54.000 0.030 0.000 0.835 31 D CB 0.235 41.049 40.800 0.024 0.000 0.965 31 D HN 0.258 nan 8.370 nan 0.000 0.505 32 T N 1.941 116.538 114.554 0.071 0.000 4.104 32 T HA 0.189 4.538 4.350 -0.000 0.000 0.285 32 T C 0.946 175.742 174.700 0.159 0.000 1.346 32 T CA -0.127 62.044 62.100 0.120 0.000 1.158 32 T CB -0.226 68.736 68.868 0.157 0.000 1.290 32 T HN 0.042 nan 8.240 nan 0.000 0.975 33 L N 3.497 124.811 121.223 0.151 0.000 2.448 33 L HA 0.198 4.537 4.340 -0.000 0.000 0.278 33 L C 0.754 177.814 176.870 0.316 0.000 1.201 33 L CA 0.233 55.226 54.840 0.255 0.000 1.036 33 L CB -0.200 41.968 42.059 0.181 0.000 1.325 33 L HN 0.417 nan 8.230 nan 0.000 0.441 34 E N 2.849 123.167 120.200 0.196 0.000 2.227 34 E HA 0.330 4.680 4.350 -0.000 0.000 0.268 34 E C -0.658 175.856 176.600 -0.144 0.000 0.907 34 E CA -0.992 55.361 56.400 -0.079 0.000 0.786 34 E CB 2.423 31.858 29.700 -0.442 0.000 1.191 34 E HN 0.300 nan 8.360 nan 0.000 0.411 35 K N 3.327 123.427 120.400 -0.500 0.000 2.383 35 K HA 0.091 4.410 4.320 -0.000 0.000 0.286 35 K C 0.134 176.656 176.600 -0.130 0.000 1.051 35 K CA 0.194 56.170 56.287 -0.519 0.000 0.974 35 K CB 0.233 32.427 32.500 -0.509 0.000 0.968 35 K HN 0.536 nan 8.250 nan 0.000 0.475 36 H N -0.313 118.697 119.070 -0.101 0.000 2.947 36 H HA 0.463 5.019 4.556 -0.001 0.000 0.290 36 H C -1.149 174.227 175.328 0.079 0.000 1.430 36 H CA -0.798 55.276 56.048 0.043 0.000 1.189 36 H CB 1.845 31.723 29.762 0.192 0.000 1.875 36 H HN 0.448 nan 8.280 nan 0.000 0.568 37 T N 0.499 115.175 114.554 0.203 0.000 2.906 37 T HA 0.566 4.915 4.350 -0.000 0.000 0.295 37 T C -0.907 173.943 174.700 0.251 0.000 1.075 37 T CA -0.755 61.423 62.100 0.131 0.000 1.005 37 T CB 1.091 70.059 68.868 0.167 0.000 1.136 37 T HN 0.422 nan 8.240 nan 0.000 0.498 38 L N 4.015 125.351 121.223 0.188 0.000 2.317 38 L HA 0.753 5.093 4.340 -0.000 0.000 0.281 38 L C 0.234 177.191 176.870 0.145 0.000 1.024 38 L CA -1.023 53.934 54.840 0.194 0.000 0.810 38 L CB 1.292 43.455 42.059 0.174 0.000 1.240 38 L HN 0.468 nan 8.230 nan 0.000 0.427 39 R N 1.404 121.994 120.500 0.150 0.000 2.707 39 R HA 0.565 4.905 4.340 -0.000 0.000 0.272 39 R C -1.502 174.901 176.300 0.173 0.000 1.011 39 R CA -0.843 55.346 56.100 0.149 0.000 0.893 39 R CB 2.386 32.754 30.300 0.113 0.000 1.233 39 R HN 0.508 nan 8.270 nan 0.000 0.464 40 S N 1.255 117.040 115.700 0.142 0.000 2.502 40 S HA 0.477 4.946 4.470 -0.000 0.000 0.304 40 S C -0.859 173.837 174.600 0.159 0.000 1.097 40 S CA -0.817 57.447 58.200 0.108 0.000 1.045 40 S CB 2.122 65.355 63.200 0.054 0.000 1.019 40 S HN 0.266 nan 8.310 nan 0.000 0.481 41 E N 2.314 122.636 120.200 0.204 0.000 2.234 41 E HA 0.406 4.756 4.350 -0.000 0.000 0.266 41 E C -0.358 176.329 176.600 0.146 0.000 0.877 41 E CA -0.510 56.017 56.400 0.211 0.000 0.758 41 E CB 2.109 32.014 29.700 0.341 0.000 1.170 41 E HN 0.713 nan 8.360 nan 0.000 0.415 42 T N -0.893 113.723 114.554 0.103 0.000 2.902 42 T HA 0.604 4.954 4.350 -0.000 0.000 0.280 42 T C 0.222 174.975 174.700 0.087 0.000 0.992 42 T CA -0.679 61.464 62.100 0.071 0.000 1.015 42 T CB 1.187 70.077 68.868 0.037 0.000 1.044 42 T HN 0.118 nan 8.240 nan 0.000 0.520 43 S N 1.084 116.834 115.700 0.085 0.000 2.594 43 S HA 0.699 5.168 4.470 -0.000 0.000 0.296 43 S C -0.537 174.098 174.600 0.058 0.000 1.124 43 S CA -0.883 57.398 58.200 0.134 0.000 1.011 43 S CB 1.463 64.816 63.200 0.255 0.000 1.016 43 S HN 1.118 nan 8.310 nan 0.000 0.485 44 T N 1.180 115.650 114.554 -0.140 0.000 2.928 44 T HA 0.755 5.104 4.350 -0.000 0.000 0.296 44 T C -1.421 172.967 174.700 -0.520 0.000 1.000 44 T CA -0.516 61.474 62.100 -0.182 0.000 0.989 44 T CB 0.617 69.391 68.868 -0.157 0.000 1.005 44 T HN 0.416 nan 8.240 nan 0.000 0.442 45 Y N 1.273 121.578 120.300 0.008 0.000 2.504 45 Y HA 0.563 5.113 4.550 -0.001 0.000 0.344 45 Y C -0.306 175.573 175.900 -0.035 0.000 1.023 45 Y CA -1.196 56.896 58.100 -0.012 0.000 1.020 45 Y CB 2.457 40.907 38.460 -0.016 0.000 1.282 45 Y HN 0.595 nan 8.280 nan 0.000 0.454 46 N N 3.682 122.435 118.700 0.089 0.000 2.706 46 N HA 0.391 5.131 4.740 -0.000 0.000 0.240 46 N C -1.331 174.190 175.510 0.019 0.000 1.039 46 N CA -0.285 52.780 53.050 0.025 0.000 0.888 46 N CB 1.024 39.510 38.487 -0.001 0.000 1.128 46 N HN 0.552 nan 8.380 nan 0.000 0.512 47 L N 0.948 122.148 121.223 -0.038 0.000 2.395 47 L HA 0.411 4.751 4.340 -0.000 0.000 0.269 47 L C 0.720 177.560 176.870 -0.050 0.000 1.133 47 L CA -0.233 54.556 54.840 -0.085 0.000 0.812 47 L CB 0.738 42.580 42.059 -0.362 0.000 1.125 47 L HN 0.165 nan 8.230 nan 0.000 0.452 48 T N 1.713 116.288 114.554 0.036 0.000 2.795 48 T HA 0.341 4.691 4.350 -0.000 0.000 0.282 48 T C 0.016 174.787 174.700 0.120 0.000 0.980 48 T CA -0.490 61.640 62.100 0.050 0.000 1.012 48 T CB 1.689 70.586 68.868 0.049 0.000 0.936 48 T HN 0.199 nan 8.240 nan 0.000 0.457 49 V N 3.664 123.627 119.914 0.081 0.000 2.555 49 V HA 0.411 4.531 4.120 -0.000 0.000 0.286 49 V C 1.302 177.480 176.094 0.140 0.000 1.044 49 V CA -0.200 62.193 62.300 0.155 0.000 1.026 49 V CB 0.835 32.712 31.823 0.090 0.000 0.981 49 V HN 1.047 nan 8.190 nan 0.000 0.480 50 G N 3.010 111.912 108.800 0.171 0.000 2.570 50 G HA2 0.129 4.089 3.960 -0.000 0.000 0.276 50 G HA3 0.129 4.089 3.960 -0.000 0.000 0.276 50 G C 0.698 175.643 174.900 0.076 0.000 1.346 50 G CA 0.220 45.382 45.100 0.102 0.000 1.034 50 G HN 0.801 nan 8.290 nan 0.000 0.512 51 D N -1.392 119.036 120.400 0.046 0.000 2.312 51 D HA -0.136 4.504 4.640 -0.000 0.000 0.211 51 D C 2.165 178.479 176.300 0.024 0.000 0.964 51 D CA 1.465 55.483 54.000 0.030 0.000 0.877 51 D CB -0.687 40.123 40.800 0.016 0.000 0.924 51 D HN 0.439 nan 8.370 nan 0.000 0.515 52 T N -3.508 111.060 114.554 0.023 0.000 3.067 52 T HA 0.278 4.627 4.350 -0.000 0.000 0.261 52 T C 1.830 176.545 174.700 0.025 0.000 1.110 52 T CA 0.714 62.817 62.100 0.004 0.000 1.113 52 T CB -0.237 68.615 68.868 -0.027 0.000 0.917 52 T HN 0.329 nan 8.240 nan 0.000 0.499 53 G N 0.209 109.055 108.800 0.076 0.000 2.143 53 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.248 53 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.248 53 G C 0.092 175.102 174.900 0.184 0.000 0.991 53 G CA 0.244 45.421 45.100 0.128 0.000 0.689 53 G HN 0.849 nan 8.290 nan 0.000 0.522 54 S N -0.938 114.819 115.700 0.095 0.000 2.536 54 S HA 0.892 5.362 4.470 -0.000 0.000 0.287 54 S C 0.295 174.719 174.600 -0.293 0.000 1.101 54 S CA 0.522 58.663 58.200 -0.098 0.000 0.950 54 S CB 1.909 65.049 63.200 -0.101 0.000 1.056 54 S HN 1.722 nan 8.310 nan 0.000 0.481 55 G N 1.075 109.334 108.800 -0.902 0.000 2.550 55 G HA2 0.621 4.580 3.960 -0.000 0.000 0.293 55 G HA3 0.621 4.580 3.960 -0.000 0.000 0.293 55 G C -2.419 172.183 174.900 -0.496 0.000 1.402 55 G CA -0.547 44.167 45.100 -0.643 0.000 0.784 55 G HN 0.765 nan 8.290 nan 0.000 0.482 56 L N -0.202 120.995 121.223 -0.043 0.000 2.464 56 L HA 0.780 5.120 4.340 -0.000 0.000 0.266 56 L C -1.305 175.633 176.870 0.114 0.000 0.965 56 L CA -0.613 54.229 54.840 0.003 0.000 0.833 56 L CB 1.839 43.789 42.059 -0.180 0.000 1.296 56 L HN 0.510 nan 8.230 nan 0.000 0.405 57 I N 5.274 125.860 120.570 0.027 0.000 2.378 57 I HA 0.463 4.632 4.170 -0.000 0.000 0.291 57 I C -0.725 175.158 176.117 -0.390 0.000 0.992 57 I CA -0.985 60.209 61.300 -0.176 0.000 1.154 57 I CB 1.964 39.757 38.000 -0.344 0.000 1.315 57 I HN 0.246 nan 8.210 nan 0.000 0.448 58 V N 7.078 126.713 119.914 -0.466 0.000 2.350 58 V HA 0.352 4.472 4.120 -0.000 0.000 0.276 58 V C -0.288 175.324 176.094 -0.805 0.000 1.028 58 V CA -0.320 61.645 62.300 -0.558 0.000 0.860 58 V CB 0.741 32.250 31.823 -0.524 0.000 0.990 58 V HN 0.404 nan 8.190 nan 0.000 0.453 59 F N 4.142 123.823 119.950 -0.449 0.000 2.422 59 F HA 0.555 5.081 4.527 -0.000 0.000 0.333 59 F C 0.102 175.584 175.800 -0.530 0.000 1.095 59 F CA -0.531 57.231 58.000 -0.397 0.000 1.038 59 F CB 1.630 40.538 39.000 -0.153 0.000 1.156 59 F HN 0.372 nan 8.300 nan 0.000 0.483 60 F N 4.018 124.136 119.950 0.280 0.000 2.366 60 F HA 0.253 4.780 4.527 -0.001 0.000 0.328 60 F C -1.472 174.476 175.800 0.247 0.000 1.180 60 F CA -1.798 56.343 58.000 0.236 0.000 1.232 60 F CB 0.064 39.206 39.000 0.236 0.000 1.513 60 F HN 0.291 nan 8.300 nan 0.000 0.540 61 P HA -0.214 nan 4.420 nan 0.000 0.218 61 P C 1.405 178.812 177.300 0.179 0.000 1.152 61 P CA 1.738 64.933 63.100 0.158 0.000 0.857 61 P CB 0.275 32.020 31.700 0.074 0.000 0.787 62 G N -1.967 106.963 108.800 0.218 0.000 3.284 62 G HA2 0.054 4.013 3.960 -0.000 0.000 0.236 62 G HA3 0.054 4.013 3.960 -0.000 0.000 0.236 62 G C -0.061 174.991 174.900 0.254 0.000 1.158 62 G CA -0.493 44.721 45.100 0.189 0.000 0.774 62 G HN 0.163 nan 8.290 nan 0.000 0.545 63 F N 3.013 123.099 119.950 0.226 0.000 2.590 63 F HA 0.218 4.745 4.527 -0.000 0.000 0.389 63 F C -1.465 174.459 175.800 0.207 0.000 1.049 63 F CA -2.175 55.947 58.000 0.203 0.000 1.199 63 F CB 1.012 40.132 39.000 0.200 0.000 1.058 63 F HN -0.028 nan 8.300 nan 0.000 0.556 64 P HA 0.302 nan 4.420 nan 0.000 0.225 64 P C -0.055 177.113 177.300 -0.219 0.000 1.813 64 P CA 0.360 63.320 63.100 -0.233 0.000 1.013 64 P CB 0.140 31.608 31.700 -0.388 0.000 1.961 65 G N 0.122 109.086 108.800 0.273 0.000 2.367 65 G HA2 0.021 3.980 3.960 -0.000 0.000 0.272 65 G HA3 0.021 3.980 3.960 -0.000 0.000 0.272 65 G C 0.316 175.456 174.900 0.400 0.000 1.271 65 G CA -0.333 44.916 45.100 0.249 0.000 0.893 65 G HN -0.076 nan 8.290 nan 0.000 0.485 66 S N -0.416 115.428 115.700 0.240 0.000 2.562 66 S HA 0.205 4.674 4.470 -0.000 0.000 0.221 66 S C 1.017 175.666 174.600 0.081 0.000 0.975 66 S CA 0.208 58.501 58.200 0.155 0.000 0.918 66 S CB -0.277 62.967 63.200 0.074 0.000 0.772 66 S HN 0.344 nan 8.310 nan 0.000 0.531 67 I N 1.663 122.124 120.570 -0.181 0.000 2.347 67 I HA 0.098 4.268 4.170 -0.000 0.000 0.294 67 I C 0.901 176.952 176.117 -0.110 0.000 1.090 67 I CA -0.119 60.928 61.300 -0.423 0.000 1.314 67 I CB 1.142 38.453 38.000 -1.149 0.000 1.423 67 I HN -0.049 nan 8.210 nan 0.000 0.503 68 V N 5.497 125.491 119.914 0.133 0.000 2.685 68 V HA 0.373 4.492 4.120 -0.000 0.000 0.244 68 V C 1.072 177.410 176.094 0.405 0.000 1.054 68 V CA 1.128 63.613 62.300 0.308 0.000 1.076 68 V CB 0.026 32.030 31.823 0.301 0.000 0.725 68 V HN 0.941 nan 8.190 nan 0.000 0.467 69 G N -1.289 107.656 108.800 0.242 0.000 2.427 69 G HA2 0.675 4.635 3.960 -0.000 0.000 0.306 69 G HA3 0.675 4.635 3.960 -0.000 0.000 0.306 69 G C -1.901 172.978 174.900 -0.035 0.000 1.280 69 G CA 0.114 45.219 45.100 0.008 0.000 0.837 69 G HN 0.635 nan 8.290 nan 0.000 0.482 70 A N -0.518 122.175 122.820 -0.211 0.000 2.488 70 A HA 0.756 5.076 4.320 -0.000 0.000 0.298 70 A C -1.239 176.165 177.584 -0.299 0.000 1.044 70 A CA -0.454 51.482 52.037 -0.168 0.000 0.693 70 A CB 1.341 20.354 19.000 0.021 0.000 1.272 70 A HN 1.122 nan 8.150 nan 0.000 0.402 71 H N 1.408 120.182 119.070 -0.494 0.000 2.458 71 H HA 0.663 5.219 4.556 -0.000 0.000 0.330 71 H C -1.677 173.338 175.328 -0.522 0.000 1.111 71 H CA -0.248 55.565 56.048 -0.392 0.000 1.245 71 H CB 0.871 30.457 29.762 -0.293 0.000 1.456 71 H HN 0.625 nan 8.280 nan 0.000 0.488 72 Y N 1.652 121.714 120.300 -0.396 0.000 2.477 72 Y HA 0.191 4.741 4.550 -0.001 0.000 0.347 72 Y C 0.178 175.909 175.900 -0.282 0.000 0.981 72 Y CA -0.828 57.117 58.100 -0.259 0.000 1.033 72 Y CB 2.284 40.741 38.460 -0.004 0.000 1.245 72 Y HN 0.583 nan 8.280 nan 0.000 0.455 73 T N 0.425 114.979 114.554 -0.000 0.000 2.902 73 T HA 0.580 4.930 4.350 -0.000 0.000 0.283 73 T C -0.992 173.815 174.700 0.178 0.000 1.009 73 T CA -0.811 61.324 62.100 0.057 0.000 1.051 73 T CB 1.585 70.464 68.868 0.019 0.000 0.999 73 T HN 0.429 nan 8.240 nan 0.000 0.474 74 L N 2.368 123.633 121.223 0.070 0.000 2.276 74 L HA 0.407 4.747 4.340 -0.000 0.000 0.286 74 L C 0.042 176.847 176.870 -0.107 0.000 1.061 74 L CA 0.004 54.756 54.840 -0.146 0.000 0.807 74 L CB 0.812 42.724 42.059 -0.246 0.000 1.177 74 L HN 0.758 nan 8.230 nan 0.000 0.429 75 Q N 1.735 121.456 119.800 -0.131 0.000 2.221 75 Q HA 0.268 4.607 4.340 -0.000 0.000 0.242 75 Q C 1.298 177.240 176.000 -0.096 0.000 0.940 75 Q CA 0.203 55.958 55.803 -0.080 0.000 0.896 75 Q CB 1.370 30.075 28.738 -0.055 0.000 1.226 75 Q HN 0.849 nan 8.270 nan 0.000 0.463 76 S N 0.932 116.594 115.700 -0.063 0.000 2.402 76 S HA -0.262 4.207 4.470 -0.000 0.000 0.233 76 S C 1.246 175.803 174.600 -0.071 0.000 1.030 76 S CA 1.916 60.080 58.200 -0.060 0.000 1.003 76 S CB -0.527 62.650 63.200 -0.039 0.000 0.813 76 S HN 0.829 nan 8.310 nan 0.000 0.477 77 N N 1.610 120.266 118.700 -0.073 0.000 2.571 77 N HA 0.223 4.963 4.740 -0.000 0.000 0.189 77 N C 1.284 176.730 175.510 -0.106 0.000 1.154 77 N CA 0.903 53.907 53.050 -0.077 0.000 0.907 77 N CB -0.731 37.717 38.487 -0.065 0.000 0.977 77 N HN 0.707 nan 8.380 nan 0.000 0.449 78 G N -1.296 107.418 108.800 -0.144 0.000 2.175 78 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 78 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 78 G C -0.482 174.251 174.900 -0.278 0.000 0.982 78 G CA 0.000 44.982 45.100 -0.198 0.000 0.641 78 G HN 0.491 nan 8.290 nan 0.000 0.527 79 N N -0.141 118.418 118.700 -0.234 0.000 2.492 79 N HA 0.587 5.327 4.740 -0.000 0.000 0.289 79 N C -0.388 174.971 175.510 -0.252 0.000 1.133 79 N CA -0.355 52.556 53.050 -0.232 0.000 0.961 79 N CB 0.816 39.230 38.487 -0.122 0.000 1.186 79 N HN 0.220 nan 8.380 nan 0.000 0.493 80 Y N 0.244 120.477 120.300 -0.112 0.000 2.316 80 Y HA 0.249 4.799 4.550 -0.000 0.000 0.324 80 Y C 0.888 176.824 175.900 0.061 0.000 1.267 80 Y CA -0.103 57.983 58.100 -0.025 0.000 1.311 80 Y CB 1.170 39.593 38.460 -0.061 0.000 1.267 80 Y HN 0.249 nan 8.280 nan 0.000 0.516 81 K N 2.954 123.563 120.400 0.348 0.000 2.507 81 K HA 0.262 4.582 4.320 -0.000 0.000 0.252 81 K C -1.497 175.326 176.600 0.373 0.000 0.943 81 K CA -0.763 55.698 56.287 0.289 0.000 0.808 81 K CB 0.837 33.421 32.500 0.140 0.000 1.142 81 K HN 0.540 nan 8.250 nan 0.000 0.426 82 F N 4.048 124.160 119.950 0.270 0.000 2.578 82 F HA 0.011 4.537 4.527 -0.001 0.000 0.376 82 F C 0.778 176.512 175.800 -0.111 0.000 1.085 82 F CA 0.609 58.617 58.000 0.013 0.000 1.260 82 F CB 0.823 39.855 39.000 0.052 0.000 1.095 82 F HN 0.816 nan 8.300 nan 0.000 0.573 83 D N 2.552 122.353 120.400 -0.999 0.000 2.845 83 D HA 0.115 4.755 4.640 -0.000 0.000 0.272 83 D C -0.534 175.004 176.300 -1.270 0.000 1.275 83 D CA 1.043 54.552 54.000 -0.818 0.000 1.029 83 D CB 0.222 40.716 40.800 -0.510 0.000 1.131 83 D HN 0.710 nan 8.370 nan 0.000 0.423 84 Q N -1.274 117.736 119.800 -1.316 0.000 2.756 84 Q HA 0.332 4.671 4.340 -0.000 0.000 0.295 84 Q C -1.102 174.652 176.000 -0.410 0.000 0.903 84 Q CA -1.006 54.266 55.803 -0.886 0.000 0.768 84 Q CB 1.082 29.595 28.738 -0.374 0.000 1.472 84 Q HN -0.038 nan 8.270 nan 0.000 0.416 85 M N 1.276 120.835 119.600 -0.068 0.000 2.247 85 M HA 0.461 4.941 4.480 -0.000 0.000 0.326 85 M C -0.623 175.517 176.300 -0.267 0.000 1.134 85 M CA -0.298 54.983 55.300 -0.032 0.000 1.136 85 M CB 0.436 33.075 32.600 0.066 0.000 1.454 85 M HN 0.634 nan 8.290 nan 0.000 0.467 86 L N 3.603 124.655 121.223 -0.284 0.000 2.325 86 L HA 0.576 4.915 4.340 -0.000 0.000 0.281 86 L C -0.572 176.248 176.870 -0.082 0.000 1.004 86 L CA -0.358 54.154 54.840 -0.547 0.000 0.823 86 L CB 1.038 42.837 42.059 -0.434 0.000 1.236 86 L HN 0.572 nan 8.230 nan 0.000 0.415 87 L N 1.099 122.415 121.223 0.155 0.000 2.211 87 L HA 0.666 5.006 4.340 -0.000 0.000 0.259 87 L C 0.578 177.636 176.870 0.313 0.000 1.031 87 L CA -0.833 54.139 54.840 0.220 0.000 0.877 87 L CB 2.042 44.206 42.059 0.174 0.000 1.457 87 L HN 0.558 nan 8.230 nan 0.000 0.466 88 T N -2.651 112.038 114.554 0.224 0.000 2.847 88 T HA 0.432 4.782 4.350 -0.000 0.000 0.279 88 T C 1.036 175.823 174.700 0.145 0.000 0.984 88 T CA -0.060 62.163 62.100 0.204 0.000 0.988 88 T CB 1.509 70.502 68.868 0.209 0.000 1.040 88 T HN 0.634 nan 8.240 nan 0.000 0.528 89 A N 1.085 123.968 122.820 0.105 0.000 1.917 89 A HA -0.034 4.285 4.320 -0.000 0.000 0.219 89 A C 1.299 178.921 177.584 0.062 0.000 1.182 89 A CA 1.681 53.751 52.037 0.056 0.000 0.633 89 A CB -0.946 18.081 19.000 0.044 0.000 0.819 89 A HN 0.992 nan 8.150 nan 0.000 0.448 90 Q N -1.637 118.210 119.800 0.079 0.000 2.416 90 Q HA 0.532 4.872 4.340 -0.000 0.000 0.279 90 Q C -0.973 175.070 176.000 0.073 0.000 1.101 90 Q CA -1.021 54.825 55.803 0.071 0.000 0.830 90 Q CB 0.758 29.542 28.738 0.077 0.000 1.402 90 Q HN 0.165 nan 8.270 nan 0.000 0.445 91 N N 1.317 120.054 118.700 0.062 0.000 2.415 91 N HA 0.128 4.867 4.740 -0.000 0.000 0.250 91 N C 0.346 175.890 175.510 0.057 0.000 1.127 91 N CA -0.060 53.022 53.050 0.052 0.000 0.945 91 N CB 0.382 38.894 38.487 0.042 0.000 1.196 91 N HN 0.800 nan 8.380 nan 0.000 0.499 92 L N 4.567 125.812 121.223 0.036 0.000 2.043 92 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 92 L C -0.653 176.281 176.870 0.106 0.000 1.075 92 L CA 1.235 56.110 54.840 0.058 0.000 0.752 92 L CB -1.187 40.786 42.059 -0.143 0.000 0.891 92 L HN 0.507 nan 8.230 nan 0.000 0.432 93 P HA -0.177 nan 4.420 nan 0.000 0.221 93 P C 1.206 178.515 177.300 0.014 0.000 1.145 93 P CA 1.544 64.657 63.100 0.021 0.000 0.795 93 P CB -0.012 31.690 31.700 0.003 0.000 0.775 94 A N -1.502 121.331 122.820 0.021 0.000 2.067 94 A HA -0.007 4.312 4.320 -0.000 0.000 0.217 94 A C 2.095 179.654 177.584 -0.042 0.000 1.156 94 A CA 1.564 53.597 52.037 -0.006 0.000 0.683 94 A CB -0.622 18.380 19.000 0.003 0.000 0.808 94 A HN 0.127 nan 8.150 nan 0.000 0.455 95 S N -2.428 113.243 115.700 -0.047 0.000 2.554 95 S HA 0.345 4.815 4.470 -0.000 0.000 0.227 95 S C -0.389 173.932 174.600 -0.464 0.000 1.050 95 S CA -0.170 57.868 58.200 -0.271 0.000 0.927 95 S CB 0.092 63.065 63.200 -0.378 0.000 0.859 95 S HN 0.511 nan 8.310 nan 0.000 0.494 96 Y N 0.933 121.214 120.300 -0.031 0.000 2.570 96 Y HA 0.524 5.074 4.550 -0.000 0.000 0.345 96 Y C 0.687 176.548 175.900 -0.064 0.000 1.014 96 Y CA -1.193 56.894 58.100 -0.022 0.000 1.063 96 Y CB 0.923 39.376 38.460 -0.012 0.000 1.272 96 Y HN -0.158 nan 8.280 nan 0.000 0.477 97 N N -0.255 118.506 118.700 0.101 0.000 2.407 97 N HA 0.086 4.826 4.740 -0.000 0.000 0.182 97 N C -1.131 174.138 175.510 -0.402 0.000 1.079 97 N CA 0.449 53.406 53.050 -0.155 0.000 0.882 97 N CB 0.502 38.886 38.487 -0.172 0.000 1.106 97 N HN 0.533 nan 8.380 nan 0.000 0.461 98 Y N -0.816 119.559 120.300 0.125 0.000 2.545 98 Y HA 0.547 5.097 4.550 -0.000 0.000 0.348 98 Y C -0.113 175.881 175.900 0.156 0.000 1.002 98 Y CA -1.198 56.988 58.100 0.144 0.000 1.039 98 Y CB 2.155 40.739 38.460 0.206 0.000 1.271 98 Y HN -0.101 nan 8.280 nan 0.000 0.467 99 C N 2.533 121.979 119.300 0.242 0.000 3.285 99 C HA 0.814 5.274 4.460 -0.000 0.000 0.325 99 C C -1.859 173.041 174.990 -0.150 0.000 1.304 99 C CA -0.651 58.383 59.018 0.027 0.000 1.319 99 C CB 1.867 29.544 27.740 -0.105 0.000 1.640 99 C HN 0.984 nan 8.230 nan 0.000 0.477 100 R N 2.454 122.847 120.500 -0.178 0.000 2.604 100 R HA 0.561 4.901 4.340 -0.000 0.000 0.281 100 R C -1.742 174.595 176.300 0.062 0.000 1.020 100 R CA -0.785 55.202 56.100 -0.188 0.000 0.899 100 R CB 1.988 31.976 30.300 -0.521 0.000 1.205 100 R HN 0.703 nan 8.270 nan 0.000 0.450 101 L N 3.423 124.713 121.223 0.113 0.000 2.290 101 L HA 0.182 4.522 4.340 -0.000 0.000 0.284 101 L C 0.460 177.360 176.870 0.050 0.000 1.078 101 L CA 0.414 55.303 54.840 0.081 0.000 0.815 101 L CB 1.521 43.642 42.059 0.104 0.000 1.162 101 L HN 0.547 nan 8.230 nan 0.000 0.435 102 V N 2.742 122.640 119.914 -0.028 0.000 2.436 102 V HA 0.248 4.367 4.120 -0.000 0.000 0.240 102 V C 0.633 176.774 176.094 0.078 0.000 1.040 102 V CA 1.219 63.571 62.300 0.086 0.000 1.052 102 V CB 0.103 31.962 31.823 0.060 0.000 0.707 102 V HN 0.939 nan 8.190 nan 0.000 0.469 103 S N -0.436 115.220 115.700 -0.074 0.000 2.587 103 S HA 0.775 5.245 4.470 -0.000 0.000 0.269 103 S C -0.871 173.642 174.600 -0.145 0.000 1.154 103 S CA -0.898 57.252 58.200 -0.083 0.000 0.824 103 S CB 2.896 66.024 63.200 -0.120 0.000 1.118 103 S HN 0.496 nan 8.310 nan 0.000 0.462 104 R N 0.096 120.528 120.500 -0.112 0.000 2.604 104 R HA 0.679 5.019 4.340 -0.000 0.000 0.261 104 R C -1.923 174.297 176.300 -0.134 0.000 1.080 104 R CA -0.050 55.975 56.100 -0.125 0.000 0.917 104 R CB 1.554 31.795 30.300 -0.099 0.000 1.252 104 R HN 1.365 nan 8.270 nan 0.000 0.456 105 S N 3.255 118.861 115.700 -0.157 0.000 2.537 105 S HA 0.763 5.232 4.470 -0.000 0.000 0.270 105 S C -1.432 173.033 174.600 -0.225 0.000 1.142 105 S CA -0.873 57.194 58.200 -0.221 0.000 0.870 105 S CB 1.707 64.751 63.200 -0.259 0.000 1.112 105 S HN 0.439 nan 8.310 nan 0.000 0.466 106 L N 1.688 122.732 121.223 -0.298 0.000 2.445 106 L HA 0.757 5.097 4.340 -0.000 0.000 0.262 106 L C -0.247 176.483 176.870 -0.234 0.000 0.974 106 L CA -0.621 54.054 54.840 -0.275 0.000 0.822 106 L CB 2.769 44.539 42.059 -0.481 0.000 1.339 106 L HN 0.990 nan 8.230 nan 0.000 0.409 107 T N -0.804 113.677 114.554 -0.122 0.000 2.888 107 T HA 0.847 5.197 4.350 -0.000 0.000 0.284 107 T C -0.627 174.074 174.700 0.002 0.000 1.017 107 T CA -0.846 61.212 62.100 -0.069 0.000 1.022 107 T CB 1.967 70.810 68.868 -0.042 0.000 1.013 107 T HN 0.237 nan 8.240 nan 0.000 0.465 108 V N 3.491 123.424 119.914 0.032 0.000 2.483 108 V HA 0.789 4.909 4.120 -0.000 0.000 0.297 108 V C -0.135 175.979 176.094 0.034 0.000 1.027 108 V CA -0.910 61.428 62.300 0.063 0.000 0.855 108 V CB 1.283 33.187 31.823 0.133 0.000 0.995 108 V HN 1.179 nan 8.190 nan 0.000 0.424 109 R N 2.326 122.829 120.500 0.005 0.000 2.692 109 R HA 0.689 5.029 4.340 -0.000 0.000 0.269 109 R C -0.735 175.542 176.300 -0.038 0.000 1.030 109 R CA -0.572 55.524 56.100 -0.006 0.000 0.882 109 R CB 1.826 32.131 30.300 0.007 0.000 1.250 109 R HN 0.634 nan 8.270 nan 0.000 0.465 110 S N 0.242 115.915 115.700 -0.044 0.000 2.601 110 S HA 0.254 4.724 4.470 -0.000 0.000 0.271 110 S C 0.497 175.077 174.600 -0.034 0.000 1.305 110 S CA 0.013 58.177 58.200 -0.060 0.000 1.022 110 S CB 1.410 64.574 63.200 -0.059 0.000 0.940 110 S HN 0.853 nan 8.310 nan 0.000 0.525 111 S N 0.354 116.032 115.700 -0.035 0.000 2.733 111 S HA 0.333 4.803 4.470 -0.000 0.000 0.247 111 S C 0.188 174.777 174.600 -0.019 0.000 1.043 111 S CA -0.358 57.829 58.200 -0.022 0.000 1.066 111 S CB 0.037 63.225 63.200 -0.021 0.000 1.045 111 S HN 0.752 nan 8.310 nan 0.000 0.586 112 T N 1.616 116.156 114.554 -0.023 0.000 2.841 112 T HA 0.692 5.042 4.350 -0.000 0.000 0.296 112 T C -1.631 173.061 174.700 -0.015 0.000 1.166 112 T CA -0.648 61.441 62.100 -0.017 0.000 1.007 112 T CB 1.867 70.725 68.868 -0.017 0.000 1.253 112 T HN 0.183 nan 8.240 nan 0.000 0.511 113 L N 2.767 123.985 121.223 -0.009 0.000 2.441 113 L HA 0.443 4.783 4.340 -0.000 0.000 0.270 113 L C -2.218 174.651 176.870 -0.003 0.000 0.973 113 L CA -1.816 53.021 54.840 -0.005 0.000 0.842 113 L CB 2.325 44.383 42.059 -0.002 0.000 1.239 113 L HN 0.450 nan 8.230 nan 0.000 0.406 114 P HA 0.095 nan 4.420 nan 0.000 0.271 114 P C 0.199 177.500 177.300 0.002 0.000 1.216 114 P CA -0.231 62.869 63.100 0.001 0.000 0.771 114 P CB 0.988 32.690 31.700 0.003 0.000 0.864 115 G N 1.401 110.201 108.800 0.001 0.000 2.209 115 G HA2 0.308 4.268 3.960 -0.000 0.000 0.271 115 G HA3 0.308 4.268 3.960 -0.000 0.000 0.271 115 G C 0.898 175.799 174.900 0.002 0.000 1.111 115 G CA 0.427 45.528 45.100 0.002 0.000 1.092 115 G HN 0.858 nan 8.290 nan 0.000 0.416 116 G N 0.849 109.651 108.800 0.002 0.000 4.455 116 G HA2 0.091 4.051 3.960 -0.000 0.000 0.182 116 G HA3 0.091 4.051 3.960 -0.000 0.000 0.182 116 G C -0.049 174.853 174.900 0.003 0.000 1.631 116 G CA 0.556 45.658 45.100 0.003 0.000 0.878 116 G HN 1.339 nan 8.290 nan 0.000 0.295 121 N N 3.889 122.596 118.700 0.012 0.000 2.648 121 N HA 0.689 5.429 4.740 -0.000 0.000 0.272 121 N C -0.354 175.167 175.510 0.020 0.000 1.118 121 N CA -0.153 52.905 53.050 0.013 0.000 0.973 121 N CB 2.190 40.682 38.487 0.009 0.000 1.565 121 N HN 1.010 nan 8.380 nan 0.000 0.542 122 G N 1.000 109.814 108.800 0.023 0.000 2.619 122 G HA2 0.135 4.094 3.960 -0.000 0.000 0.686 122 G HA3 0.135 4.094 3.960 -0.000 0.000 0.686 122 G C -0.771 174.165 174.900 0.061 0.000 1.256 122 G CA -0.399 44.723 45.100 0.036 0.000 0.826 122 G HN 1.249 nan 8.290 nan 0.000 0.619 123 T N -2.011 112.593 114.554 0.084 0.000 2.865 123 T HA 0.823 5.173 4.350 -0.000 0.000 0.294 123 T C -0.310 174.567 174.700 0.296 0.000 1.119 123 T CA -0.795 61.400 62.100 0.159 0.000 1.007 123 T CB 2.242 71.209 68.868 0.166 0.000 1.225 123 T HN 1.121 nan 8.240 nan 0.000 0.515 124 I N 1.456 122.223 120.570 0.328 0.000 2.608 124 I HA 0.507 4.677 4.170 -0.000 0.000 0.295 124 I C -0.981 175.258 176.117 0.202 0.000 1.049 124 I CA -0.998 60.511 61.300 0.348 0.000 1.063 124 I CB 2.302 40.433 38.000 0.219 0.000 1.248 124 I HN 0.554 nan 8.210 nan 0.000 0.424 125 N N 3.687 122.386 118.700 -0.000 0.000 2.269 125 N HA 0.844 5.583 4.740 -0.000 0.000 0.304 125 N C -1.303 174.137 175.510 -0.117 0.000 1.072 125 N CA -0.502 52.396 53.050 -0.253 0.000 0.802 125 N CB 2.424 40.434 38.487 -0.795 0.000 1.348 125 N HN 0.733 nan 8.380 nan 0.000 0.484 126 A N 0.641 123.415 122.820 -0.076 0.000 2.549 126 A HA 0.809 5.129 4.320 -0.000 0.000 0.297 126 A C -1.435 176.122 177.584 -0.044 0.000 1.061 126 A CA -0.661 51.360 52.037 -0.027 0.000 0.690 126 A CB 1.520 20.537 19.000 0.029 0.000 1.287 126 A HN 0.435 nan 8.150 nan 0.000 0.402 127 V N 0.613 120.511 119.914 -0.026 0.000 3.077 127 V HA 0.719 4.839 4.120 -0.000 0.000 0.299 127 V C -1.016 175.089 176.094 0.018 0.000 1.276 127 V CA -0.200 62.087 62.300 -0.021 0.000 0.993 127 V CB 2.593 34.397 31.823 -0.033 0.000 1.076 127 V HN 1.049 nan 8.190 nan 0.000 0.434 128 T N 6.497 121.066 114.554 0.024 0.000 2.770 128 T HA 0.483 4.833 4.350 -0.000 0.000 0.297 128 T C -0.872 173.899 174.700 0.118 0.000 0.997 128 T CA 0.042 62.173 62.100 0.053 0.000 0.949 128 T CB 0.539 69.409 68.868 0.003 0.000 0.941 128 T HN 0.520 nan 8.240 nan 0.000 0.457 129 F N 2.936 122.869 119.950 -0.029 0.000 2.408 129 F HA 0.304 4.831 4.527 -0.000 0.000 0.344 129 F C 1.197 176.992 175.800 -0.007 0.000 1.112 129 F CA -0.998 56.990 58.000 -0.020 0.000 1.096 129 F CB 1.227 40.215 39.000 -0.019 0.000 1.129 129 F HN 0.505 nan 8.300 nan 0.000 0.486 130 Q N 4.045 123.505 119.800 -0.567 0.000 2.387 130 Q HA 0.183 4.523 4.340 -0.000 0.000 0.211 130 Q C 0.620 176.153 176.000 -0.779 0.000 0.952 130 Q CA 0.268 55.748 55.803 -0.538 0.000 0.957 130 Q CB 0.110 28.649 28.738 -0.330 0.000 1.002 130 Q HN 0.902 nan 8.270 nan 0.000 0.502 131 G N 0.053 107.990 108.800 -1.439 0.000 3.217 131 G HA2 0.449 4.409 3.960 -0.000 0.000 0.213 131 G HA3 0.449 4.409 3.960 -0.000 0.000 0.213 131 G C -0.674 174.174 174.900 -0.086 0.000 1.294 131 G CA -0.468 44.214 45.100 -0.697 0.000 0.987 131 G HN 0.211 nan 8.290 nan 0.000 0.584 132 S N -1.063 114.758 115.700 0.201 0.000 2.718 132 S HA 0.414 4.884 4.470 -0.000 0.000 0.300 132 S C 1.233 176.047 174.600 0.356 0.000 1.117 132 S CA -0.499 57.868 58.200 0.279 0.000 1.002 132 S CB 1.616 64.952 63.200 0.228 0.000 1.092 132 S HN 0.673 nan 8.310 nan 0.000 0.542 133 L N 1.913 123.301 121.223 0.274 0.000 2.034 133 L HA -0.168 4.171 4.340 -0.000 0.000 0.217 133 L C 2.497 179.457 176.870 0.151 0.000 1.077 133 L CA 2.832 57.765 54.840 0.154 0.000 0.769 133 L CB -1.401 40.712 42.059 0.090 0.000 0.890 133 L HN 1.007 nan 8.230 nan 0.000 0.435 134 S N -1.950 113.861 115.700 0.185 0.000 2.555 134 S HA -0.081 4.388 4.470 -0.000 0.000 0.230 134 S C 1.490 176.179 174.600 0.148 0.000 0.978 134 S CA 0.814 59.111 58.200 0.160 0.000 0.934 134 S CB -0.625 62.654 63.200 0.132 0.000 0.766 134 S HN 0.699 nan 8.310 nan 0.000 0.533 135 E N 0.539 120.870 120.200 0.217 0.000 2.442 135 E HA 0.225 4.575 4.350 -0.000 0.000 0.195 135 E C -0.149 176.516 176.600 0.108 0.000 1.030 135 E CA -0.223 56.327 56.400 0.249 0.000 0.869 135 E CB -0.078 29.862 29.700 0.400 0.000 0.857 135 E HN 0.516 nan 8.360 nan 0.000 0.505 136 L N 1.855 122.997 121.223 -0.135 0.000 2.490 136 L HA -0.039 4.300 4.340 -0.000 0.000 0.274 136 L C 1.818 178.579 176.870 -0.182 0.000 1.201 136 L CA 0.332 54.898 54.840 -0.456 0.000 0.869 136 L CB 0.684 42.480 42.059 -0.438 0.000 1.123 136 L HN 0.129 nan 8.230 nan 0.000 0.484 137 T N -2.472 111.975 114.554 -0.178 0.000 3.067 137 T HA 0.034 4.384 4.350 -0.000 0.000 0.257 137 T C 0.280 174.938 174.700 -0.069 0.000 1.105 137 T CA 0.124 62.177 62.100 -0.078 0.000 1.104 137 T CB 0.114 68.953 68.868 -0.048 0.000 0.925 137 T HN 0.555 nan 8.240 nan 0.000 0.498 138 D N 0.828 121.171 120.400 -0.096 0.000 2.764 138 D HA 0.226 4.865 4.640 -0.000 0.000 0.227 138 D C 0.112 176.381 176.300 -0.051 0.000 1.347 138 D CA -0.628 53.339 54.000 -0.055 0.000 0.953 138 D CB 2.061 42.832 40.800 -0.048 0.000 1.476 138 D HN 0.094 nan 8.370 nan 0.000 0.585 139 V N 1.658 121.582 119.914 0.017 0.000 3.121 139 V HA 0.335 4.455 4.120 -0.000 0.000 0.344 139 V C 0.734 176.914 176.094 0.143 0.000 1.390 139 V CA -0.022 62.316 62.300 0.064 0.000 1.177 139 V CB -0.564 31.352 31.823 0.155 0.000 1.163 139 V HN 0.453 nan 8.190 nan 0.000 0.484 140 S N -0.827 114.931 115.700 0.097 0.000 2.603 140 S HA 0.320 4.789 4.470 -0.000 0.000 0.268 140 S C 0.834 175.505 174.600 0.118 0.000 1.317 140 S CA 0.114 58.387 58.200 0.122 0.000 1.012 140 S CB 0.840 64.081 63.200 0.068 0.000 0.926 140 S HN 0.452 nan 8.310 nan 0.000 0.539 141 Y N 2.512 122.835 120.300 0.039 0.000 2.102 141 Y HA -0.266 4.284 4.550 -0.000 0.000 0.280 141 Y C 2.061 177.970 175.900 0.016 0.000 1.178 141 Y CA 2.596 60.712 58.100 0.026 0.000 1.146 141 Y CB -0.435 38.035 38.460 0.017 0.000 0.968 141 Y HN 0.717 nan 8.280 nan 0.000 0.504 142 N N -0.364 118.410 118.700 0.124 0.000 2.333 142 N HA -0.045 4.695 4.740 -0.000 0.000 0.178 142 N C 2.028 177.516 175.510 -0.037 0.000 1.018 142 N CA 1.088 54.151 53.050 0.020 0.000 0.882 142 N CB -0.791 37.758 38.487 0.102 0.000 0.984 142 N HN 0.525 nan 8.380 nan 0.000 0.434 143 G N 1.852 110.643 108.800 -0.015 0.000 2.432 143 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.219 143 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.219 143 G C 1.639 176.500 174.900 -0.065 0.000 1.135 143 G CA 0.234 45.315 45.100 -0.032 0.000 0.767 143 G HN 0.207 nan 8.290 nan 0.000 0.550 144 L N 0.169 121.338 121.223 -0.090 0.000 2.127 144 L HA -0.105 4.234 4.340 -0.000 0.000 0.211 144 L C 2.848 179.658 176.870 -0.100 0.000 1.089 144 L CA 0.595 55.368 54.840 -0.112 0.000 0.757 144 L CB -0.413 41.565 42.059 -0.135 0.000 0.899 144 L HN 0.175 nan 8.230 nan 0.000 0.434 145 M N -0.852 118.685 119.600 -0.106 0.000 2.435 145 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 145 M C 1.885 178.154 176.300 -0.052 0.000 1.065 145 M CA 1.304 56.554 55.300 -0.083 0.000 1.076 145 M CB -1.052 31.499 32.600 -0.082 0.000 1.403 145 M HN 0.146 nan 8.290 nan 0.000 0.454 146 S N -0.212 115.460 115.700 -0.046 0.000 2.540 146 S HA 0.309 4.779 4.470 -0.000 0.000 0.218 146 S C 1.862 176.455 174.600 -0.011 0.000 0.977 146 S CA 0.355 58.540 58.200 -0.026 0.000 0.918 146 S CB 0.102 63.289 63.200 -0.022 0.000 0.806 146 S HN 0.497 nan 8.310 nan 0.000 0.496 147 A N 1.507 124.313 122.820 -0.024 0.000 2.024 147 A HA -0.002 4.318 4.320 -0.000 0.000 0.220 147 A C 1.384 179.051 177.584 0.139 0.000 1.164 147 A CA 1.538 53.578 52.037 0.003 0.000 0.643 147 A CB -0.203 18.756 19.000 -0.069 0.000 0.806 147 A HN 0.418 nan 8.150 nan 0.000 0.451 148 T N -3.881 110.723 114.554 0.082 0.000 2.896 148 T HA 0.566 4.916 4.350 -0.000 0.000 0.297 148 T C 0.392 175.104 174.700 0.020 0.000 1.108 148 T CA 0.073 62.216 62.100 0.071 0.000 1.004 148 T CB 1.747 70.648 68.868 0.055 0.000 1.159 148 T HN 0.442 nan 8.240 nan 0.000 0.499 149 A N 2.718 125.543 122.820 0.008 0.000 2.195 149 A HA 0.304 4.624 4.320 -0.000 0.000 0.210 149 A C 0.643 178.212 177.584 -0.025 0.000 1.165 149 A CA -0.066 51.965 52.037 -0.009 0.000 0.806 149 A CB -0.222 18.774 19.000 -0.007 0.000 0.847 149 A HN 0.727 nan 8.150 nan 0.000 0.482 150 N N 0.768 119.449 118.700 -0.032 0.000 2.431 150 N HA 0.107 4.847 4.740 -0.000 0.000 0.265 150 N C 0.593 176.063 175.510 -0.067 0.000 1.184 150 N CA -0.219 52.800 53.050 -0.052 0.000 0.943 150 N CB 1.101 39.551 38.487 -0.060 0.000 1.080 150 N HN 0.195 nan 8.380 nan 0.000 0.477 151 I N 2.246 122.772 120.570 -0.072 0.000 2.423 151 I HA -0.189 3.981 4.170 -0.000 0.000 0.254 151 I C 1.105 177.145 176.117 -0.128 0.000 1.151 151 I CA 1.248 62.496 61.300 -0.085 0.000 1.421 151 I CB -0.109 37.846 38.000 -0.075 0.000 1.079 151 I HN 0.408 nan 8.210 nan 0.000 0.431 152 N N 0.493 119.102 118.700 -0.153 0.000 2.370 152 N HA -0.005 4.735 4.740 -0.000 0.000 0.198 152 N C 0.202 175.570 175.510 -0.236 0.000 1.156 152 N CA 0.436 53.346 53.050 -0.234 0.000 0.839 152 N CB -0.008 38.326 38.487 -0.255 0.000 0.989 152 N HN 0.426 nan 8.380 nan 0.000 0.468 153 D N 0.321 120.627 120.400 -0.157 0.000 2.535 153 D HA 0.078 4.718 4.640 -0.000 0.000 0.229 153 D C 0.137 176.381 176.300 -0.094 0.000 1.238 153 D CA 0.179 54.105 54.000 -0.124 0.000 0.824 153 D CB 0.887 41.638 40.800 -0.080 0.000 1.045 153 D HN 0.398 nan 8.370 nan 0.000 0.500 154 K N -0.182 120.153 120.400 -0.109 0.000 2.532 154 K HA 0.667 4.987 4.320 -0.000 0.000 0.265 154 K C -1.534 175.011 176.600 -0.092 0.000 0.948 154 K CA -0.899 55.338 56.287 -0.084 0.000 0.842 154 K CB 2.634 35.094 32.500 -0.067 0.000 1.392 154 K HN -0.156 nan 8.250 nan 0.000 0.436 155 I N 0.602 121.130 120.570 -0.070 0.000 2.680 155 I HA 0.499 4.668 4.170 -0.000 0.000 0.291 155 I C -1.340 174.752 176.117 -0.040 0.000 1.244 155 I CA 0.044 61.314 61.300 -0.050 0.000 1.042 155 I CB 2.332 40.315 38.000 -0.029 0.000 1.277 155 I HN 0.876 nan 8.210 nan 0.000 0.423 156 G N 4.262 113.047 108.800 -0.025 0.000 2.495 156 G HA2 0.439 4.399 3.960 -0.000 0.000 0.318 156 G HA3 0.439 4.399 3.960 -0.000 0.000 0.318 156 G C -0.428 174.496 174.900 0.040 0.000 1.257 156 G CA -0.539 44.550 45.100 -0.019 0.000 0.962 156 G HN 0.678 nan 8.290 nan 0.000 0.483 157 N N -0.636 118.119 118.700 0.091 0.000 2.727 157 N HA -0.165 4.574 4.740 -0.000 0.000 0.249 157 N C 0.270 175.852 175.510 0.119 0.000 1.048 157 N CA 0.637 53.781 53.050 0.156 0.000 0.714 157 N CB -0.978 37.591 38.487 0.138 0.000 0.959 157 N HN 0.389 nan 8.380 nan 0.000 0.544 158 V N 0.940 120.922 119.914 0.114 0.000 2.614 158 V HA 0.099 4.218 4.120 -0.000 0.000 0.291 158 V C 1.185 177.342 176.094 0.104 0.000 1.049 158 V CA -0.633 61.725 62.300 0.098 0.000 1.038 158 V CB 1.071 32.951 31.823 0.095 0.000 0.980 158 V HN 0.166 nan 8.190 nan 0.000 0.481 159 L N 4.929 126.201 121.223 0.082 0.000 2.513 159 L HA 0.033 4.372 4.340 -0.000 0.000 0.272 159 L C 1.280 178.191 176.870 0.068 0.000 1.187 159 L CA 0.914 55.796 54.840 0.071 0.000 0.895 159 L CB 0.880 42.971 42.059 0.054 0.000 1.147 159 L HN 0.529 nan 8.230 nan 0.000 0.483 160 V N 4.468 124.422 119.914 0.066 0.000 2.469 160 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 160 V C 1.965 178.074 176.094 0.026 0.000 1.064 160 V CA 2.340 64.669 62.300 0.049 0.000 1.066 160 V CB -0.576 31.267 31.823 0.033 0.000 0.667 160 V HN 1.061 nan 8.190 nan 0.000 0.461 161 G N -1.570 107.245 108.800 0.024 0.000 2.448 161 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.218 161 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.218 161 G C 1.413 176.328 174.900 0.025 0.000 1.135 161 G CA 0.702 45.812 45.100 0.017 0.000 0.784 161 G HN 0.583 nan 8.290 nan 0.000 0.543 162 E N -0.516 119.706 120.200 0.037 0.000 2.076 162 E HA 0.320 4.669 4.350 -0.000 0.000 0.190 162 E C 1.441 178.070 176.600 0.047 0.000 0.979 162 E CA 0.374 56.800 56.400 0.043 0.000 0.807 162 E CB 0.069 29.801 29.700 0.053 0.000 0.761 162 E HN 0.442 nan 8.360 nan 0.000 0.454 163 G N 0.364 109.195 108.800 0.053 0.000 2.746 163 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.685 163 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.685 163 G C -0.387 174.555 174.900 0.071 0.000 1.350 163 G CA -0.449 44.684 45.100 0.055 0.000 0.837 163 G HN 0.563 nan 8.290 nan 0.000 0.564 164 V N -3.022 116.933 119.914 0.068 0.000 2.864 164 V HA 0.983 5.103 4.120 -0.000 0.000 0.314 164 V C 0.169 176.279 176.094 0.027 0.000 1.073 164 V CA -0.110 62.236 62.300 0.076 0.000 0.956 164 V CB 2.046 33.923 31.823 0.090 0.000 1.023 164 V HN 1.442 nan 8.190 nan 0.000 0.435 165 T N 2.562 117.125 114.554 0.014 0.000 2.807 165 T HA 0.634 4.984 4.350 -0.000 0.000 0.279 165 T C -0.540 174.104 174.700 -0.093 0.000 0.993 165 T CA -0.353 61.662 62.100 -0.142 0.000 0.970 165 T CB 1.560 70.186 68.868 -0.403 0.000 0.950 165 T HN 0.728 nan 8.240 nan 0.000 0.441 166 V N 4.519 124.316 119.914 -0.195 0.000 2.370 166 V HA 0.501 4.621 4.120 -0.000 0.000 0.279 166 V C -0.442 175.526 176.094 -0.210 0.000 1.029 166 V CA -0.747 61.449 62.300 -0.173 0.000 0.870 166 V CB 1.248 32.874 31.823 -0.329 0.000 0.984 166 V HN 0.642 nan 8.190 nan 0.000 0.451 167 L N 4.704 125.877 121.223 -0.083 0.000 2.341 167 L HA 0.595 4.934 4.340 -0.000 0.000 0.278 167 L C 0.233 177.080 176.870 -0.039 0.000 1.005 167 L CA 0.417 55.207 54.840 -0.084 0.000 0.818 167 L CB 2.136 44.233 42.059 0.064 0.000 1.259 167 L HN 0.576 nan 8.230 nan 0.000 0.418 168 S N 5.429 121.098 115.700 -0.052 0.000 2.439 168 S HA 0.571 5.041 4.470 -0.000 0.000 0.282 168 S C -0.300 174.302 174.600 0.004 0.000 1.170 168 S CA -0.418 57.770 58.200 -0.020 0.000 1.054 168 S CB -0.076 63.115 63.200 -0.015 0.000 0.956 168 S HN 0.480 nan 8.310 nan 0.000 0.490 169 L N 5.719 126.942 121.223 -0.000 0.000 2.331 169 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 169 L C -1.707 175.143 176.870 -0.033 0.000 1.022 169 L CA -2.268 52.573 54.840 0.002 0.000 0.812 169 L CB 1.008 43.059 42.059 -0.013 0.000 1.257 169 L HN 0.410 nan 8.230 nan 0.000 0.435 170 P HA 0.030 nan 4.420 nan 0.000 0.267 170 P C -0.369 176.787 177.300 -0.241 0.000 1.200 170 P CA -0.067 62.891 63.100 -0.237 0.000 0.772 170 P CB 0.599 31.932 31.700 -0.611 0.000 0.855 171 T N -2.085 112.317 114.554 -0.253 0.000 3.514 171 T HA 0.475 4.824 4.350 -0.000 0.000 0.259 171 T C -0.177 174.365 174.700 -0.264 0.000 1.466 171 T CA -0.548 61.428 62.100 -0.208 0.000 1.562 171 T CB -0.917 67.868 68.868 -0.139 0.000 0.924 171 T HN 0.723 nan 8.240 nan 0.000 0.678 172 S N 0.363 115.854 115.700 -0.348 0.000 2.978 172 S HA -0.082 4.387 4.470 -0.000 0.000 0.855 172 S C -1.047 173.310 174.600 -0.405 0.000 0.951 172 S CA -0.754 57.253 58.200 -0.322 0.000 1.377 172 S CB -0.963 62.106 63.200 -0.217 0.000 0.983 172 S HN 0.683 nan 8.310 nan 0.000 0.235 173 Y N 1.477 121.738 120.300 -0.066 0.000 2.732 173 Y HA 0.484 5.034 4.550 -0.000 0.000 0.327 173 Y C 1.140 177.000 175.900 -0.066 0.000 1.162 173 Y CA -0.311 57.748 58.100 -0.067 0.000 1.238 173 Y CB 0.660 39.078 38.460 -0.071 0.000 1.443 173 Y HN 0.833 nan 8.280 nan 0.000 0.584 174 D N 0.720 121.217 120.400 0.160 0.000 2.837 174 D HA -0.186 4.454 4.640 -0.000 0.000 0.230 174 D C -0.991 175.340 176.300 0.053 0.000 1.152 174 D CA 0.751 54.797 54.000 0.077 0.000 0.736 174 D CB -1.073 39.760 40.800 0.055 0.000 1.084 174 D HN 0.262 nan 8.370 nan 0.000 0.429 175 L N -0.111 121.142 121.223 0.049 0.000 2.436 175 L HA 0.431 4.771 4.340 -0.000 0.000 0.265 175 L C 1.813 178.767 176.870 0.140 0.000 1.168 175 L CA 0.072 54.917 54.840 0.009 0.000 0.815 175 L CB 0.876 42.890 42.059 -0.075 0.000 1.109 175 L HN 0.053 nan 8.230 nan 0.000 0.462 176 G N 0.386 109.328 108.800 0.236 0.000 2.562 176 G HA2 0.248 4.208 3.960 -0.000 0.000 0.275 176 G HA3 0.248 4.208 3.960 -0.000 0.000 0.275 176 G C -1.005 174.092 174.900 0.328 0.000 1.196 176 G CA -0.363 44.911 45.100 0.290 0.000 0.908 176 G HN 0.310 nan 8.290 nan 0.000 0.524 177 Y N -0.962 119.399 120.300 0.102 0.000 2.397 177 Y HA 0.311 4.861 4.550 -0.001 0.000 0.335 177 Y C 0.847 176.808 175.900 0.102 0.000 1.213 177 Y CA -0.026 58.130 58.100 0.092 0.000 1.391 177 Y CB 1.223 39.705 38.460 0.037 0.000 1.293 177 Y HN 0.147 nan 8.280 nan 0.000 0.557 178 V N 4.210 124.185 119.914 0.102 0.000 2.547 178 V HA 0.411 4.531 4.120 -0.000 0.000 0.299 178 V C -0.101 176.021 176.094 0.048 0.000 1.040 178 V CA -1.199 61.049 62.300 -0.087 0.000 0.913 178 V CB 1.602 33.123 31.823 -0.504 0.000 0.992 178 V HN 0.544 nan 8.190 nan 0.000 0.449 179 R N 2.657 123.130 120.500 -0.045 0.000 2.438 179 R HA 0.332 4.672 4.340 -0.000 0.000 0.287 179 R C 0.502 176.661 176.300 -0.235 0.000 1.077 179 R CA 0.093 55.996 56.100 -0.328 0.000 1.034 179 R CB 0.335 30.480 30.300 -0.258 0.000 0.993 179 R HN 0.707 nan 8.270 nan 0.000 0.459 180 L N 3.156 124.231 121.223 -0.246 0.000 2.591 180 L HA 0.220 4.560 4.340 -0.000 0.000 0.228 180 L C 0.961 177.785 176.870 -0.076 0.000 1.133 180 L CA 0.631 55.392 54.840 -0.133 0.000 0.880 180 L CB -0.004 41.996 42.059 -0.098 0.000 1.033 180 L HN 1.079 nan 8.230 nan 0.000 0.450 181 G N 1.097 109.839 108.800 -0.096 0.000 2.182 181 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 181 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 181 G C -0.064 174.805 174.900 -0.050 0.000 1.042 181 G CA 0.220 45.288 45.100 -0.054 0.000 0.775 181 G HN 0.549 nan 8.290 nan 0.000 0.501 182 D N 0.262 120.616 120.400 -0.077 0.000 2.339 182 D HA 0.394 5.034 4.640 -0.000 0.000 0.245 182 D C -2.075 174.194 176.300 -0.052 0.000 1.115 182 D CA -1.446 52.517 54.000 -0.061 0.000 0.917 182 D CB 1.604 42.356 40.800 -0.080 0.000 1.192 182 D HN 0.250 nan 8.370 nan 0.000 0.428 183 P HA 0.175 nan 4.420 nan 0.000 0.275 183 P C -0.011 177.269 177.300 -0.034 0.000 1.228 183 P CA -0.352 62.729 63.100 -0.031 0.000 0.786 183 P CB 1.052 32.738 31.700 -0.022 0.000 0.927 184 I N -0.203 120.349 120.570 -0.030 0.000 2.822 184 I HA 0.619 4.789 4.170 -0.000 0.000 0.312 184 I C -2.501 173.603 176.117 -0.020 0.000 1.011 184 I CA -3.445 57.839 61.300 -0.027 0.000 1.105 184 I CB 0.882 38.866 38.000 -0.027 0.000 1.291 184 I HN 0.060 nan 8.210 nan 0.000 0.474 185 P HA 0.413 nan 4.420 nan 0.000 0.271 185 P C -1.025 176.268 177.300 -0.012 0.000 1.226 185 P CA 0.013 63.105 63.100 -0.014 0.000 0.765 185 P CB 0.817 32.509 31.700 -0.012 0.000 0.835 186 A N 3.391 126.205 122.820 -0.011 0.000 2.589 186 A HA 0.747 5.067 4.320 -0.000 0.000 0.296 186 A C -1.063 176.517 177.584 -0.008 0.000 1.062 186 A CA -0.682 51.349 52.037 -0.009 0.000 0.686 186 A CB 1.122 20.116 19.000 -0.010 0.000 1.282 186 A HN 0.563 nan 8.150 nan 0.000 0.404 187 I N -0.845 119.720 120.570 -0.007 0.000 2.647 187 I HA 0.972 5.142 4.170 -0.000 0.000 0.295 187 I C -0.018 176.095 176.117 -0.005 0.000 1.078 187 I CA -0.878 60.419 61.300 -0.006 0.000 1.048 187 I CB 2.310 40.307 38.000 -0.005 0.000 1.239 187 I HN 1.002 nan 8.210 nan 0.000 0.421 188 G N 3.877 112.675 108.800 -0.005 0.000 2.677 188 G HA2 0.470 4.430 3.960 -0.000 0.000 0.291 188 G HA3 0.470 4.430 3.960 -0.000 0.000 0.291 188 G C -0.145 174.752 174.900 -0.004 0.000 1.435 188 G CA -0.860 44.237 45.100 -0.005 0.000 0.826 188 G HN 0.709 nan 8.290 nan 0.000 0.491 189 L N -0.377 120.843 121.223 -0.004 0.000 2.141 189 L HA 0.055 4.395 4.340 -0.000 0.000 0.209 189 L C 0.876 177.744 176.870 -0.004 0.000 1.094 189 L CA 0.669 55.506 54.840 -0.004 0.000 0.763 189 L CB 0.084 42.141 42.059 -0.004 0.000 0.908 189 L HN 0.379 nan 8.230 nan 0.000 0.437 190 D N 0.693 121.091 120.400 -0.004 0.000 2.317 190 D HA 0.070 4.710 4.640 -0.000 0.000 0.252 190 D C -1.466 174.832 176.300 -0.003 0.000 1.174 190 D CA -1.934 52.064 54.000 -0.004 0.000 0.866 190 D CB 1.568 42.366 40.800 -0.004 0.000 1.127 190 D HN -0.022 nan 8.370 nan 0.000 0.467 191 P HA -0.058 nan 4.420 nan 0.000 0.230 191 P C 0.443 177.742 177.300 -0.001 0.000 1.158 191 P CA 0.647 63.746 63.100 -0.002 0.000 0.769 191 P CB 0.434 32.133 31.700 -0.001 0.000 0.807 192 K N -0.955 119.444 120.400 -0.002 0.000 2.374 192 K HA 0.180 4.500 4.320 -0.000 0.000 0.196 192 K C 1.253 177.852 176.600 -0.002 0.000 1.023 192 K CA -0.299 55.987 56.287 -0.001 0.000 1.103 192 K CB -0.070 32.429 32.500 -0.001 0.000 0.848 192 K HN 0.194 nan 8.250 nan 0.000 0.528 193 M N 2.049 121.647 119.600 -0.003 0.000 2.250 193 M HA 0.018 4.498 4.480 -0.000 0.000 0.337 193 M C -0.944 175.354 176.300 -0.004 0.000 1.161 193 M CA 0.694 55.991 55.300 -0.004 0.000 1.088 193 M CB 0.527 33.124 32.600 -0.005 0.000 1.639 193 M HN -0.217 nan 8.290 nan 0.000 0.447 194 V N 4.302 124.214 119.914 -0.004 0.000 2.686 194 V HA 0.802 4.921 4.120 -0.000 0.000 0.306 194 V C -0.747 175.342 176.094 -0.008 0.000 1.065 194 V CA -0.815 61.482 62.300 -0.005 0.000 0.894 194 V CB 1.616 33.437 31.823 -0.003 0.000 1.004 194 V HN 0.960 nan 8.190 nan 0.000 0.424 195 A N 3.084 125.898 122.820 -0.011 0.000 2.385 195 A HA 0.905 5.224 4.320 -0.000 0.000 0.290 195 A C -0.225 177.345 177.584 -0.022 0.000 1.094 195 A CA -0.261 51.767 52.037 -0.016 0.000 0.729 195 A CB 1.598 20.589 19.000 -0.015 0.000 1.194 195 A HN 1.001 nan 8.150 nan 0.000 0.442 196 T N -1.931 112.607 114.554 -0.028 0.000 2.901 196 T HA 0.573 4.923 4.350 -0.000 0.000 0.293 196 T C -0.595 174.072 174.700 -0.054 0.000 1.084 196 T CA -0.751 61.326 62.100 -0.038 0.000 1.008 196 T CB 1.426 70.274 68.868 -0.033 0.000 1.170 196 T HN 1.038 nan 8.240 nan 0.000 0.509 197 C N 2.633 121.891 119.300 -0.070 0.000 2.223 197 C HA 0.579 5.038 4.460 -0.000 0.000 0.324 197 C C -0.443 174.485 174.990 -0.104 0.000 1.196 197 C CA -0.453 58.513 59.018 -0.088 0.000 1.628 197 C CB -1.657 26.023 27.740 -0.101 0.000 2.229 197 C HN 0.858 nan 8.230 nan 0.000 0.486 198 D N 2.484 122.824 120.400 -0.100 0.000 2.348 198 D HA 0.184 4.824 4.640 -0.000 0.000 0.249 198 D C 0.043 176.294 176.300 -0.082 0.000 1.110 198 D CA 0.178 54.126 54.000 -0.087 0.000 0.967 198 D CB 1.255 42.006 40.800 -0.082 0.000 1.139 198 D HN 0.525 nan 8.370 nan 0.000 0.466 199 S N -0.403 115.261 115.700 -0.060 0.000 2.509 199 S HA 0.155 4.625 4.470 -0.000 0.000 0.287 199 S C 0.935 175.532 174.600 -0.004 0.000 1.248 199 S CA 0.035 58.195 58.200 -0.068 0.000 1.089 199 S CB -0.106 63.038 63.200 -0.093 0.000 0.900 199 S HN 0.466 nan 8.310 nan 0.000 0.496 200 S N 3.038 118.742 115.700 0.006 0.000 3.019 200 S HA 0.196 4.666 4.470 -0.000 0.000 0.258 200 S C -0.253 174.396 174.600 0.082 0.000 1.082 200 S CA -0.477 57.755 58.200 0.053 0.000 0.836 200 S CB -0.597 62.603 63.200 -0.000 0.000 0.834 200 S HN 0.623 nan 8.310 nan 0.000 0.457 201 D N 3.350 123.796 120.400 0.078 0.000 2.629 201 D HA 0.199 4.839 4.640 -0.000 0.000 0.228 201 D C 0.176 176.553 176.300 0.129 0.000 1.127 201 D CA 0.817 54.880 54.000 0.106 0.000 0.855 201 D CB -0.028 40.853 40.800 0.136 0.000 1.180 201 D HN 0.200 nan 8.370 nan 0.000 0.484 202 R N -0.623 119.941 120.500 0.107 0.000 3.246 202 R HA -0.106 4.234 4.340 -0.000 0.000 0.260 202 R C -2.418 173.927 176.300 0.075 0.000 1.034 202 R CA 0.011 56.166 56.100 0.092 0.000 0.691 202 R CB -1.931 28.450 30.300 0.134 0.000 1.186 202 R HN 0.460 nan 8.270 nan 0.000 0.416 203 P HA 0.036 nan 4.420 nan 0.000 0.270 203 P C -0.270 177.027 177.300 -0.005 0.000 1.223 203 P CA 0.007 63.137 63.100 0.049 0.000 0.785 203 P CB 0.683 32.421 31.700 0.063 0.000 0.923 204 R N 1.133 121.612 120.500 -0.035 0.000 2.460 204 R HA 0.533 4.873 4.340 -0.000 0.000 0.303 204 R C -1.387 174.825 176.300 -0.148 0.000 0.968 204 R CA -0.743 55.283 56.100 -0.122 0.000 0.889 204 R CB 0.985 31.197 30.300 -0.146 0.000 1.123 204 R HN 0.260 nan 8.270 nan 0.000 0.455 205 V N 5.116 124.908 119.914 -0.204 0.000 2.588 205 V HA 0.404 4.524 4.120 -0.000 0.000 0.304 205 V C -1.264 174.714 176.094 -0.193 0.000 1.042 205 V CA -0.747 61.475 62.300 -0.130 0.000 0.877 205 V CB 1.576 33.360 31.823 -0.065 0.000 0.996 205 V HN 0.686 nan 8.190 nan 0.000 0.425 206 Y N 1.460 121.735 120.300 -0.041 0.000 2.377 206 Y HA 0.624 5.173 4.550 -0.000 0.000 0.339 206 Y C 0.654 176.510 175.900 -0.074 0.000 1.011 206 Y CA -0.564 57.507 58.100 -0.048 0.000 1.093 206 Y CB 2.225 40.662 38.460 -0.038 0.000 1.201 206 Y HN 0.518 nan 8.280 nan 0.000 0.455 207 T N 5.215 119.808 114.554 0.065 0.000 2.792 207 T HA 0.606 4.956 4.350 -0.000 0.000 0.280 207 T C -0.552 174.097 174.700 -0.085 0.000 0.990 207 T CA -0.519 61.563 62.100 -0.029 0.000 0.960 207 T CB 0.337 69.179 68.868 -0.043 0.000 0.939 207 T HN 0.377 nan 8.240 nan 0.000 0.439 208 I N 2.769 123.232 120.570 -0.178 0.000 2.410 208 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 208 I C 0.140 176.067 176.117 -0.317 0.000 1.009 208 I CA -0.692 60.422 61.300 -0.310 0.000 1.111 208 I CB 1.899 39.568 38.000 -0.552 0.000 1.262 208 I HN 0.469 nan 8.210 nan 0.000 0.443 209 T N 5.684 120.089 114.554 -0.250 0.000 2.891 209 T HA 0.249 4.599 4.350 -0.000 0.000 0.315 209 T C 1.141 175.706 174.700 -0.225 0.000 1.054 209 T CA -0.292 61.692 62.100 -0.193 0.000 0.958 209 T CB 1.195 69.991 68.868 -0.119 0.000 1.008 209 T HN 0.759 nan 8.240 nan 0.000 0.521 210 A N 2.852 125.518 122.820 -0.257 0.000 2.014 210 A HA 0.550 4.870 4.320 -0.000 0.000 0.218 210 A C 1.213 178.772 177.584 -0.042 0.000 1.163 210 A CA 0.641 52.576 52.037 -0.171 0.000 0.652 210 A CB 0.080 19.078 19.000 -0.002 0.000 0.808 210 A HN 0.887 nan 8.150 nan 0.000 0.449 211 A N -0.902 121.896 122.820 -0.036 0.000 2.540 211 A HA 0.539 4.859 4.320 -0.000 0.000 0.297 211 A C -1.856 175.747 177.584 0.032 0.000 1.056 211 A CA -0.265 51.793 52.037 0.034 0.000 0.700 211 A CB 1.014 20.072 19.000 0.095 0.000 1.280 211 A HN 0.048 nan 8.150 nan 0.000 0.398 212 D N 2.018 122.466 120.400 0.080 0.000 2.400 212 D HA 0.362 5.001 4.640 -0.000 0.000 0.272 212 D C -0.310 176.052 176.300 0.102 0.000 1.220 212 D CA 0.370 54.406 54.000 0.061 0.000 0.897 212 D CB 0.205 41.028 40.800 0.038 0.000 1.134 212 D HN 0.529 nan 8.370 nan 0.000 0.507 213 D N 2.080 122.547 120.400 0.111 0.000 2.746 213 D HA -0.279 4.361 4.640 -0.000 0.000 0.236 213 D C -0.817 175.580 176.300 0.162 0.000 1.129 213 D CA 0.356 54.432 54.000 0.128 0.000 0.691 213 D CB -0.930 39.928 40.800 0.096 0.000 1.077 213 D HN 0.462 nan 8.370 nan 0.000 0.432 214 Y N 1.380 121.744 120.300 0.107 0.000 2.442 214 Y HA 0.165 4.714 4.550 -0.000 0.000 0.330 214 Y C 0.496 176.491 175.900 0.158 0.000 1.129 214 Y CA 0.271 58.448 58.100 0.129 0.000 1.365 214 Y CB 0.590 39.150 38.460 0.165 0.000 1.233 214 Y HN -0.026 nan 8.280 nan 0.000 0.529 215 Q N 7.754 127.110 119.800 -0.740 0.000 2.360 215 Q HA 0.157 4.497 4.340 -0.000 0.000 0.254 215 Q C -1.340 174.122 176.000 -0.897 0.000 0.975 215 Q CA -0.456 54.986 55.803 -0.601 0.000 0.912 215 Q CB 1.264 29.793 28.738 -0.349 0.000 1.212 215 Q HN 0.680 nan 8.270 nan 0.000 0.452 216 F N 1.720 121.106 119.950 -0.941 0.000 2.421 216 F HA 0.504 5.031 4.527 -0.000 0.000 0.337 216 F C -0.559 174.829 175.800 -0.686 0.000 1.105 216 F CA -0.530 56.869 58.000 -1.001 0.000 1.049 216 F CB 1.630 39.473 39.000 -1.929 0.000 1.139 216 F HN 0.318 nan 8.300 nan 0.000 0.479 217 S N 4.136 118.866 115.700 -1.616 0.000 2.566 217 S HA 0.671 5.141 4.470 -0.000 0.000 0.273 217 S C -1.416 172.539 174.600 -1.075 0.000 1.157 217 S CA -0.396 57.089 58.200 -1.191 0.000 0.938 217 S CB 1.193 64.053 63.200 -0.568 0.000 1.087 217 S HN 0.995 nan 8.310 nan 0.000 0.474 218 S N 2.968 118.201 115.700 -0.778 0.000 2.552 218 S HA 0.441 4.911 4.470 -0.000 0.000 0.272 218 S C -1.759 172.760 174.600 -0.135 0.000 1.150 218 S CA -0.609 57.371 58.200 -0.366 0.000 0.849 218 S CB 1.532 64.591 63.200 -0.235 0.000 1.113 218 S HN 0.772 nan 8.310 nan 0.000 0.458 219 Q N 1.690 121.457 119.800 -0.055 0.000 2.340 219 Q HA 0.254 4.594 4.340 -0.000 0.000 0.249 219 Q C -0.581 175.466 176.000 0.078 0.000 0.957 219 Q CA -0.315 55.502 55.803 0.023 0.000 0.882 219 Q CB 0.597 29.348 28.738 0.021 0.000 1.235 219 Q HN 0.712 nan 8.270 nan 0.000 0.439 220 Y N 1.692 122.009 120.300 0.028 0.000 2.741 220 Y HA -0.148 4.401 4.550 -0.000 0.000 0.351 220 Y C -0.331 175.597 175.900 0.046 0.000 1.274 220 Y CA 0.894 59.023 58.100 0.049 0.000 1.482 220 Y CB 0.483 38.968 38.460 0.042 0.000 1.357 220 Y HN 0.609 nan 8.280 nan 0.000 0.657 221 Q N 2.608 121.617 119.800 -1.319 0.000 2.507 221 Q HA 0.284 4.624 4.340 -0.000 0.000 0.248 221 Q C -1.428 173.959 176.000 -1.022 0.000 0.941 221 Q CA -0.538 54.747 55.803 -0.863 0.000 1.003 221 Q CB 1.060 29.598 28.738 -0.334 0.000 1.517 221 Q HN 0.879 nan 8.270 nan 0.000 0.443 222 S N 1.549 116.881 115.700 -0.613 0.000 2.549 222 S HA 0.531 5.000 4.470 -0.000 0.000 0.286 222 S C 1.096 175.606 174.600 -0.150 0.000 1.314 222 S CA 0.831 58.900 58.200 -0.218 0.000 1.062 222 S CB 1.091 64.299 63.200 0.014 0.000 0.865 222 S HN 1.457 nan 8.310 nan 0.000 0.498 223 G N 1.742 110.502 108.800 -0.067 0.000 2.234 223 G HA2 0.278 4.238 3.960 -0.000 0.000 0.235 223 G HA3 0.278 4.238 3.960 -0.000 0.000 0.235 223 G C 1.108 175.983 174.900 -0.041 0.000 0.997 223 G CA 0.227 45.303 45.100 -0.041 0.000 0.623 223 G HN 2.619 nan 8.290 nan 0.000 0.514 224 G N -2.223 106.530 108.800 -0.078 0.000 2.712 224 G HA2 0.314 4.274 3.960 -0.000 0.000 0.683 224 G HA3 0.314 4.274 3.960 -0.000 0.000 0.683 224 G C -0.537 174.351 174.900 -0.019 0.000 1.320 224 G CA 0.051 45.133 45.100 -0.030 0.000 0.847 224 G HN 1.559 nan 8.290 nan 0.000 0.553 225 V N 0.846 120.783 119.914 0.038 0.000 2.487 225 V HA 0.731 4.851 4.120 -0.000 0.000 0.298 225 V C 0.473 176.599 176.094 0.053 0.000 1.028 225 V CA -0.174 62.169 62.300 0.071 0.000 0.860 225 V CB 1.849 33.781 31.823 0.182 0.000 0.991 225 V HN 1.090 nan 8.190 nan 0.000 0.427 226 T N 6.298 120.877 114.554 0.041 0.000 2.867 226 T HA 0.794 5.144 4.350 -0.000 0.000 0.282 226 T C -0.278 174.447 174.700 0.041 0.000 1.000 226 T CA -0.255 61.861 62.100 0.026 0.000 1.042 226 T CB 1.338 70.213 68.868 0.012 0.000 0.973 226 T HN 0.714 nan 8.240 nan 0.000 0.465 227 I N -1.378 119.213 120.570 0.036 0.000 2.865 227 I HA 0.661 4.831 4.170 -0.000 0.000 0.302 227 I C -0.880 175.250 176.117 0.022 0.000 1.140 227 I CA -0.891 60.441 61.300 0.054 0.000 1.021 227 I CB 2.553 40.620 38.000 0.111 0.000 1.233 227 I HN 0.342 nan 8.210 nan 0.000 0.427 228 T N 5.262 119.811 114.554 -0.007 0.000 2.832 228 T HA 0.251 4.601 4.350 -0.000 0.000 0.313 228 T C 0.735 175.406 174.700 -0.049 0.000 1.035 228 T CA -0.258 61.803 62.100 -0.066 0.000 0.950 228 T CB 0.992 69.798 68.868 -0.103 0.000 0.984 228 T HN 0.588 nan 8.240 nan 0.000 0.486 229 L N 4.653 125.857 121.223 -0.033 0.000 2.083 229 L HA 0.206 4.545 4.340 -0.000 0.000 0.209 229 L C 0.223 177.127 176.870 0.056 0.000 1.083 229 L CA 1.827 56.676 54.840 0.015 0.000 0.752 229 L CB -0.351 41.785 42.059 0.128 0.000 0.899 229 L HN 0.712 nan 8.230 nan 0.000 0.433 230 F N -3.473 116.462 119.950 -0.025 0.000 2.773 230 F HA 0.617 5.143 4.527 -0.000 0.000 0.314 230 F C -0.844 174.942 175.800 -0.024 0.000 1.160 230 F CA -0.986 56.991 58.000 -0.038 0.000 0.920 230 F CB 0.610 39.582 39.000 -0.046 0.000 1.323 230 F HN -0.330 nan 8.300 nan 0.000 0.457 231 S N 1.251 117.080 115.700 0.215 0.000 2.614 231 S HA 0.887 5.356 4.470 -0.000 0.000 0.275 231 S C -1.527 173.218 174.600 0.242 0.000 1.161 231 S CA 0.186 58.447 58.200 0.102 0.000 0.969 231 S CB 1.065 64.253 63.200 -0.021 0.000 1.059 231 S HN 1.725 nan 8.310 nan 0.000 0.482 232 A N 4.019 126.977 122.820 0.229 0.000 2.515 232 A HA 0.734 5.054 4.320 -0.000 0.000 0.298 232 A C -1.035 176.559 177.584 0.016 0.000 1.059 232 A CA -0.887 51.217 52.037 0.111 0.000 0.698 232 A CB 1.162 20.208 19.000 0.077 0.000 1.289 232 A HN 0.729 nan 8.150 nan 0.000 0.404 233 N N 1.206 119.898 118.700 -0.013 0.000 2.458 233 N HA 0.564 5.303 4.740 -0.000 0.000 0.270 233 N C -0.484 174.941 175.510 -0.141 0.000 1.102 233 N CA 0.343 53.374 53.050 -0.031 0.000 0.967 233 N CB 0.761 39.262 38.487 0.023 0.000 1.078 233 N HN 0.706 nan 8.380 nan 0.000 0.471 234 I N -1.894 118.561 120.570 -0.192 0.000 3.095 234 I HA 0.548 4.717 4.170 -0.000 0.000 0.310 234 I C -1.082 174.992 176.117 -0.072 0.000 1.196 234 I CA -0.990 60.045 61.300 -0.441 0.000 0.985 234 I CB 2.723 40.239 38.000 -0.807 0.000 1.250 234 I HN 0.041 nan 8.210 nan 0.000 0.446 235 D N 2.333 122.795 120.400 0.104 0.000 2.498 235 D HA 0.745 5.384 4.640 -0.000 0.000 0.247 235 D C -1.096 175.291 176.300 0.145 0.000 1.070 235 D CA -0.276 53.819 54.000 0.157 0.000 0.842 235 D CB 2.502 43.433 40.800 0.218 0.000 1.361 235 D HN 0.910 nan 8.370 nan 0.000 0.484 236 A N 1.932 124.805 122.820 0.088 0.000 2.540 236 A HA 0.497 4.817 4.320 -0.000 0.000 0.297 236 A C -0.415 177.174 177.584 0.008 0.000 1.056 236 A CA -0.500 51.571 52.037 0.057 0.000 0.700 236 A CB 0.911 19.939 19.000 0.046 0.000 1.280 236 A HN 0.564 nan 8.150 nan 0.000 0.398 237 I N 0.407 120.964 120.570 -0.023 0.000 4.338 237 I HA 0.122 4.291 4.170 -0.000 0.000 0.315 237 I C 1.118 177.208 176.117 -0.045 0.000 1.262 237 I CA 1.093 62.332 61.300 -0.103 0.000 1.298 237 I CB 0.877 38.712 38.000 -0.276 0.000 1.257 237 I HN 0.821 nan 8.210 nan 0.000 0.444 238 T N -1.508 113.060 114.554 0.023 0.000 2.762 238 T HA 0.396 4.745 4.350 -0.000 0.000 0.272 238 T C 0.234 174.979 174.700 0.075 0.000 0.982 238 T CA -0.540 61.593 62.100 0.055 0.000 1.013 238 T CB 1.175 70.105 68.868 0.103 0.000 1.309 238 T HN 0.117 nan 8.240 nan 0.000 0.572 239 S N 0.737 116.501 115.700 0.107 0.000 2.573 239 S HA 0.307 4.777 4.470 -0.000 0.000 0.297 239 S C 0.086 174.802 174.600 0.194 0.000 1.280 239 S CA -0.462 57.838 58.200 0.166 0.000 1.061 239 S CB -1.066 62.260 63.200 0.210 0.000 0.812 239 S HN 1.181 nan 8.310 nan 0.000 0.500 240 L N -0.405 120.869 121.223 0.086 0.000 2.403 240 L HA 0.951 5.290 4.340 -0.000 0.000 0.253 240 L C -0.752 176.086 176.870 -0.053 0.000 1.045 240 L CA -1.075 53.685 54.840 -0.133 0.000 0.845 240 L CB 2.038 44.057 42.059 -0.066 0.000 1.447 240 L HN 0.780 nan 8.230 nan 0.000 0.411 241 S N 0.204 115.824 115.700 -0.132 0.000 2.548 241 S HA 0.821 5.291 4.470 -0.000 0.000 0.286 241 S C -0.801 173.809 174.600 0.017 0.000 1.098 241 S CA -0.652 57.555 58.200 0.012 0.000 0.930 241 S CB 1.736 64.990 63.200 0.090 0.000 1.070 241 S HN 0.629 nan 8.310 nan 0.000 0.480 242 I N 1.674 122.285 120.570 0.068 0.000 2.410 242 I HA 0.657 4.826 4.170 -0.000 0.000 0.286 242 I C 0.474 176.665 176.117 0.125 0.000 1.009 242 I CA -0.532 60.822 61.300 0.089 0.000 1.111 242 I CB 1.766 39.850 38.000 0.140 0.000 1.262 242 I HN 0.908 nan 8.210 nan 0.000 0.443 243 G N 3.094 111.934 108.800 0.067 0.000 2.685 243 G HA2 0.903 4.863 3.960 -0.000 0.000 0.298 243 G HA3 0.903 4.863 3.960 -0.000 0.000 0.298 243 G C -0.439 174.451 174.900 -0.017 0.000 1.277 243 G CA -0.534 44.615 45.100 0.082 0.000 0.986 243 G HN 0.983 nan 8.290 nan 0.000 0.487 244 G N -1.253 107.564 108.800 0.028 0.000 2.315 244 G HA2 0.409 4.369 3.960 -0.000 0.000 0.296 244 G HA3 0.409 4.369 3.960 -0.000 0.000 0.296 244 G C -1.241 173.699 174.900 0.066 0.000 1.289 244 G CA 0.061 45.114 45.100 -0.079 0.000 0.996 244 G HN 0.942 nan 8.290 nan 0.000 0.487 245 E N -1.173 119.016 120.200 -0.019 0.000 2.378 245 E HA 0.541 4.890 4.350 -0.000 0.000 0.283 245 E C -1.472 175.177 176.600 0.081 0.000 0.979 245 E CA -0.764 55.733 56.400 0.162 0.000 0.795 245 E CB 1.700 31.459 29.700 0.099 0.000 1.221 245 E HN 0.573 nan 8.360 nan 0.000 0.428 246 L N 3.019 124.368 121.223 0.211 0.000 2.346 246 L HA 0.651 4.991 4.340 -0.000 0.000 0.274 246 L C -0.814 176.037 176.870 -0.032 0.000 1.007 246 L CA -1.124 53.735 54.840 0.032 0.000 0.818 246 L CB 1.985 44.124 42.059 0.133 0.000 1.284 246 L HN 0.348 nan 8.230 nan 0.000 0.424 247 V N 2.614 122.381 119.914 -0.244 0.000 2.540 247 V HA 0.471 4.590 4.120 -0.000 0.000 0.302 247 V C -0.757 175.079 176.094 -0.430 0.000 1.035 247 V CA -0.516 61.658 62.300 -0.210 0.000 0.873 247 V CB 1.728 33.427 31.823 -0.206 0.000 0.992 247 V HN 0.376 nan 8.190 nan 0.000 0.428 248 F N 2.479 122.279 119.950 -0.249 0.000 2.508 248 F HA 0.638 5.165 4.527 -0.000 0.000 0.325 248 F C 0.274 175.957 175.800 -0.194 0.000 1.090 248 F CA -0.440 57.424 58.000 -0.228 0.000 0.945 248 F CB 1.638 40.469 39.000 -0.282 0.000 1.156 248 F HN 0.483 nan 8.300 nan 0.000 0.463 249 H N -0.098 119.131 119.070 0.266 0.000 2.637 249 H HA 0.655 5.210 4.556 -0.000 0.000 0.363 249 H C -0.647 174.833 175.328 0.253 0.000 1.131 249 H CA -0.795 55.371 56.048 0.196 0.000 1.183 249 H CB 2.393 32.241 29.762 0.143 0.000 1.637 249 H HN 0.607 nan 8.280 nan 0.000 0.531 250 T N 0.422 115.163 114.554 0.311 0.000 2.840 250 T HA 0.205 4.554 4.350 -0.000 0.000 0.317 250 T C 0.072 174.851 174.700 0.132 0.000 1.401 250 T CA -0.472 61.776 62.100 0.246 0.000 1.028 250 T CB 1.689 70.712 68.868 0.259 0.000 1.317 250 T HN 0.503 nan 8.240 nan 0.000 0.495 251 S N 0.732 116.500 115.700 0.113 0.000 2.505 251 S HA 0.301 4.770 4.470 -0.000 0.000 0.216 251 S C 0.409 175.057 174.600 0.080 0.000 1.018 251 S CA -0.087 58.158 58.200 0.075 0.000 0.911 251 S CB 0.391 63.634 63.200 0.071 0.000 0.818 251 S HN 0.572 nan 8.310 nan 0.000 0.497 252 V N 3.369 123.340 119.914 0.095 0.000 2.649 252 V HA 0.231 4.351 4.120 -0.000 0.000 0.292 252 V C 0.179 176.310 176.094 0.061 0.000 1.055 252 V CA -0.435 61.934 62.300 0.116 0.000 1.023 252 V CB 0.676 32.579 31.823 0.134 0.000 0.992 252 V HN 0.430 nan 8.190 nan 0.000 0.480 253 H N 2.342 121.452 119.070 0.067 0.000 2.488 253 H HA 0.374 4.929 4.556 -0.000 0.000 0.347 253 H C 1.224 176.585 175.328 0.055 0.000 1.174 253 H CA 0.735 56.816 56.048 0.055 0.000 1.307 253 H CB 1.597 31.380 29.762 0.035 0.000 1.517 253 H HN 0.940 nan 8.280 nan 0.000 0.554 254 G N 1.992 110.869 108.800 0.129 0.000 2.148 254 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.254 254 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.254 254 G C 0.163 175.112 174.900 0.081 0.000 0.981 254 G CA 0.084 45.242 45.100 0.096 0.000 0.670 254 G HN 0.419 nan 8.290 nan 0.000 0.528 255 L N 0.307 121.576 121.223 0.077 0.000 2.375 255 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 255 L C 0.675 177.554 176.870 0.015 0.000 1.107 255 L CA -0.041 54.852 54.840 0.088 0.000 0.806 255 L CB 1.561 43.711 42.059 0.151 0.000 1.146 255 L HN 0.382 nan 8.230 nan 0.000 0.447 256 A N 4.062 126.881 122.820 -0.001 0.000 2.449 256 A HA 0.811 5.131 4.320 -0.000 0.000 0.302 256 A C -1.060 176.452 177.584 -0.119 0.000 1.048 256 A CA -0.539 51.456 52.037 -0.069 0.000 0.708 256 A CB 1.452 20.429 19.000 -0.038 0.000 1.274 256 A HN 0.606 nan 8.150 nan 0.000 0.410 257 L N 1.510 122.599 121.223 -0.222 0.000 2.334 257 L HA 0.546 4.886 4.340 -0.000 0.000 0.273 257 L C -0.929 175.811 176.870 -0.216 0.000 1.013 257 L CA -0.814 53.853 54.840 -0.288 0.000 0.816 257 L CB 2.049 43.765 42.059 -0.572 0.000 1.278 257 L HN 0.648 nan 8.230 nan 0.000 0.431 258 D N 1.991 122.288 120.400 -0.171 0.000 2.505 258 D HA 0.636 5.276 4.640 -0.000 0.000 0.249 258 D C -0.945 175.276 176.300 -0.131 0.000 1.082 258 D CA -0.193 53.727 54.000 -0.133 0.000 0.839 258 D CB 2.773 43.524 40.800 -0.082 0.000 1.317 258 D HN 0.562 nan 8.370 nan 0.000 0.497 259 A N 1.654 124.390 122.820 -0.140 0.000 2.422 259 A HA 0.720 5.039 4.320 -0.000 0.000 0.302 259 A C -0.595 176.914 177.584 -0.126 0.000 1.041 259 A CA -0.529 51.441 52.037 -0.111 0.000 0.708 259 A CB 1.731 20.652 19.000 -0.132 0.000 1.257 259 A HN 0.376 nan 8.150 nan 0.000 0.414 260 T N 2.096 116.605 114.554 -0.076 0.000 2.893 260 T HA 0.591 4.940 4.350 -0.000 0.000 0.293 260 T C -0.571 174.049 174.700 -0.134 0.000 1.027 260 T CA -0.240 61.755 62.100 -0.176 0.000 0.988 260 T CB 1.256 69.957 68.868 -0.279 0.000 1.043 260 T HN 0.502 nan 8.240 nan 0.000 0.461 261 I N 2.486 122.926 120.570 -0.218 0.000 2.412 261 I HA 0.469 4.638 4.170 -0.000 0.000 0.296 261 I C -1.195 174.789 176.117 -0.221 0.000 0.987 261 I CA -0.873 60.385 61.300 -0.069 0.000 1.180 261 I CB 1.228 39.255 38.000 0.044 0.000 1.340 261 I HN 0.606 nan 8.210 nan 0.000 0.455 262 Y N 5.901 126.174 120.300 -0.046 0.000 2.446 262 Y HA 0.550 5.100 4.550 -0.001 0.000 0.345 262 Y C -0.416 175.463 175.900 -0.034 0.000 0.984 262 Y CA -0.811 57.264 58.100 -0.042 0.000 1.058 262 Y CB 1.645 40.070 38.460 -0.059 0.000 1.220 262 Y HN 0.248 nan 8.280 nan 0.000 0.455 263 L N 5.035 126.329 121.223 0.117 0.000 2.305 263 L HA 0.510 4.850 4.340 -0.000 0.000 0.284 263 L C -0.866 176.040 176.870 0.059 0.000 1.013 263 L CA -0.648 54.230 54.840 0.064 0.000 0.819 263 L CB 0.993 43.072 42.059 0.033 0.000 1.227 263 L HN 0.471 nan 8.230 nan 0.000 0.417 264 I N 2.132 122.726 120.570 0.040 0.000 2.437 264 I HA 0.426 4.595 4.170 -0.000 0.000 0.298 264 I C 0.874 177.006 176.117 0.024 0.000 0.984 264 I CA -0.170 61.144 61.300 0.023 0.000 1.214 264 I CB 1.584 39.582 38.000 -0.003 0.000 1.365 264 I HN 0.562 nan 8.210 nan 0.000 0.469 265 G N 2.916 111.731 108.800 0.025 0.000 2.528 265 G HA2 0.221 4.180 3.960 -0.000 0.000 0.289 265 G HA3 0.221 4.180 3.960 -0.000 0.000 0.289 265 G C 0.382 175.333 174.900 0.085 0.000 1.192 265 G CA -0.356 44.779 45.100 0.058 0.000 0.921 265 G HN 0.589 nan 8.290 nan 0.000 0.512 266 F N 0.702 120.635 119.950 -0.030 0.000 2.192 266 F HA -0.161 4.366 4.527 -0.000 0.000 0.301 266 F C 2.211 177.935 175.800 -0.127 0.000 1.079 266 F CA 2.087 60.003 58.000 -0.140 0.000 1.303 266 F CB 0.226 39.017 39.000 -0.347 0.000 1.024 266 F HN 0.437 nan 8.300 nan 0.000 0.494 267 D N -1.092 119.306 120.400 -0.004 0.000 2.319 267 D HA 0.156 4.795 4.640 -0.000 0.000 0.230 267 D C 1.839 178.111 176.300 -0.046 0.000 1.094 267 D CA 0.757 54.744 54.000 -0.021 0.000 0.856 267 D CB -0.476 40.475 40.800 0.250 0.000 0.915 267 D HN 0.428 nan 8.370 nan 0.000 0.517 268 G N -0.639 108.117 108.800 -0.073 0.000 2.225 268 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.254 268 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.254 268 G C 0.559 175.443 174.900 -0.026 0.000 0.988 268 G CA 0.375 45.437 45.100 -0.063 0.000 0.625 268 G HN 0.498 nan 8.290 nan 0.000 0.527 269 T N 2.001 116.560 114.554 0.008 0.000 2.918 269 T HA 0.480 4.830 4.350 -0.000 0.000 0.302 269 T C 0.687 175.399 174.700 0.020 0.000 1.045 269 T CA 0.900 63.013 62.100 0.022 0.000 1.114 269 T CB 0.864 69.763 68.868 0.051 0.000 0.965 269 T HN 0.215 nan 8.240 nan 0.000 0.540 270 T N 3.104 117.677 114.554 0.031 0.000 2.794 270 T HA 0.220 4.569 4.350 -0.000 0.000 0.296 270 T C 1.303 176.028 174.700 0.042 0.000 0.949 270 T CA -0.541 61.595 62.100 0.059 0.000 1.101 270 T CB 0.923 69.859 68.868 0.113 0.000 0.905 270 T HN 0.355 nan 8.240 nan 0.000 0.516 271 V N 3.830 123.763 119.914 0.030 0.000 2.795 271 V HA 0.360 4.479 4.120 -0.000 0.000 0.243 271 V C 0.465 176.562 176.094 0.004 0.000 1.069 271 V CA 0.655 62.955 62.300 -0.000 0.000 1.089 271 V CB 0.074 31.882 31.823 -0.026 0.000 0.756 271 V HN 0.704 nan 8.190 nan 0.000 0.471 272 I N -0.145 120.434 120.570 0.016 0.000 2.752 272 I HA 0.454 4.624 4.170 -0.000 0.000 0.295 272 I C -0.605 175.491 176.117 -0.036 0.000 1.219 272 I CA -0.003 61.292 61.300 -0.008 0.000 1.030 272 I CB 2.581 40.574 38.000 -0.011 0.000 1.259 272 I HN 0.163 nan 8.210 nan 0.000 0.423 273 T N 2.889 117.381 114.554 -0.102 0.000 2.886 273 T HA 0.749 5.098 4.350 -0.000 0.000 0.292 273 T C -0.732 173.836 174.700 -0.220 0.000 1.012 273 T CA -0.892 61.048 62.100 -0.266 0.000 0.982 273 T CB 1.872 70.533 68.868 -0.345 0.000 1.018 273 T HN 0.323 nan 8.240 nan 0.000 0.451 274 R N 1.476 121.822 120.500 -0.256 0.000 2.628 274 R HA 0.801 5.141 4.340 -0.000 0.000 0.288 274 R C -0.610 175.563 176.300 -0.212 0.000 0.980 274 R CA -0.845 55.149 56.100 -0.176 0.000 0.891 274 R CB 1.958 32.194 30.300 -0.105 0.000 1.188 274 R HN 0.987 nan 8.270 nan 0.000 0.450 275 A N 1.794 124.509 122.820 -0.175 0.000 2.301 275 A HA 0.421 4.741 4.320 -0.000 0.000 0.298 275 A C 1.032 178.499 177.584 -0.195 0.000 1.185 275 A CA -0.424 51.505 52.037 -0.179 0.000 0.830 275 A CB 0.545 19.460 19.000 -0.142 0.000 1.112 275 A HN 0.608 nan 8.150 nan 0.000 0.508 276 V N -0.684 119.081 119.914 -0.249 0.000 3.570 276 V HA 0.659 4.779 4.120 -0.000 0.000 0.257 276 V C 0.584 176.490 176.094 -0.312 0.000 1.272 276 V CA 0.814 62.898 62.300 -0.360 0.000 1.079 276 V CB -0.500 30.923 31.823 -0.666 0.000 0.829 276 V HN 1.588 nan 8.190 nan 0.000 0.454 277 A N -0.177 122.498 122.820 -0.243 0.000 2.459 277 A HA 0.797 5.117 4.320 -0.000 0.000 0.296 277 A C -0.638 176.849 177.584 -0.162 0.000 1.039 277 A CA 0.107 52.022 52.037 -0.205 0.000 0.698 277 A CB 1.886 20.747 19.000 -0.233 0.000 1.261 277 A HN 0.419 nan 8.150 nan 0.000 0.405 278 S N 2.035 117.654 115.700 -0.134 0.000 2.756 278 S HA 0.508 4.978 4.470 -0.000 0.000 0.303 278 S C -0.412 174.132 174.600 -0.094 0.000 1.135 278 S CA -0.004 58.133 58.200 -0.105 0.000 1.066 278 S CB 0.538 63.685 63.200 -0.088 0.000 1.008 278 S HN 1.036 nan 8.310 nan 0.000 0.482 279 D N 2.895 123.241 120.400 -0.090 0.000 2.723 279 D HA -0.188 4.452 4.640 -0.000 0.000 0.236 279 D C -0.355 175.892 176.300 -0.089 0.000 1.138 279 D CA 0.622 54.577 54.000 -0.075 0.000 0.676 279 D CB -1.039 39.730 40.800 -0.051 0.000 1.069 279 D HN 0.630 nan 8.370 nan 0.000 0.430 280 N N 0.404 119.027 118.700 -0.129 0.000 2.402 280 N HA 0.320 5.060 4.740 -0.000 0.000 0.252 280 N C 0.338 175.759 175.510 -0.148 0.000 1.118 280 N CA 0.586 53.550 53.050 -0.143 0.000 0.945 280 N CB 0.518 38.890 38.487 -0.192 0.000 1.147 280 N HN 0.275 nan 8.380 nan 0.000 0.495 281 G N 3.012 111.753 108.800 -0.098 0.000 2.483 281 G HA2 0.390 4.350 3.960 -0.000 0.000 0.248 281 G HA3 0.390 4.350 3.960 -0.000 0.000 0.248 281 G C -0.102 174.744 174.900 -0.091 0.000 1.248 281 G CA -0.418 44.634 45.100 -0.079 0.000 0.838 281 G HN 0.616 nan 8.290 nan 0.000 0.566 282 L N 1.633 122.806 121.223 -0.083 0.000 2.287 282 L HA 0.305 4.645 4.340 -0.000 0.000 0.287 282 L C 0.382 177.223 176.870 -0.048 0.000 1.022 282 L CA -0.602 54.195 54.840 -0.071 0.000 0.814 282 L CB 1.810 43.824 42.059 -0.075 0.000 1.217 282 L HN 0.378 nan 8.230 nan 0.000 0.420 283 T N 1.417 115.952 114.554 -0.032 0.000 2.817 283 T HA 0.158 4.508 4.350 -0.000 0.000 0.293 283 T C 0.455 175.128 174.700 -0.046 0.000 0.964 283 T CA -0.269 61.805 62.100 -0.043 0.000 1.085 283 T CB 0.937 69.801 68.868 -0.007 0.000 0.921 283 T HN 0.488 nan 8.240 nan 0.000 0.502 284 T N 2.636 117.105 114.554 -0.141 0.000 2.926 284 T HA 0.380 4.730 4.350 -0.000 0.000 0.307 284 T C 1.456 176.150 174.700 -0.011 0.000 1.059 284 T CA 0.836 62.867 62.100 -0.114 0.000 1.122 284 T CB 0.342 69.032 68.868 -0.297 0.000 0.972 284 T HN 0.975 nan 8.240 nan 0.000 0.545 285 G N 1.923 110.738 108.800 0.026 0.000 2.258 285 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.274 285 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.274 285 G C -0.014 174.917 174.900 0.051 0.000 1.021 285 G CA 0.446 45.564 45.100 0.029 0.000 0.798 285 G HN 0.725 nan 8.290 nan 0.000 0.507 286 I N -0.828 119.807 120.570 0.107 0.000 2.994 286 I HA 0.308 4.477 4.170 -0.000 0.000 0.306 286 I C -0.997 175.265 176.117 0.242 0.000 1.195 286 I CA -1.184 60.193 61.300 0.128 0.000 1.001 286 I CB 1.747 39.794 38.000 0.078 0.000 1.244 286 I HN -0.109 nan 8.210 nan 0.000 0.437 287 D N 4.872 125.398 120.400 0.209 0.000 2.339 287 D HA 0.155 4.795 4.640 -0.000 0.000 0.256 287 D C -0.671 175.672 176.300 0.071 0.000 1.214 287 D CA 0.151 54.245 54.000 0.157 0.000 0.877 287 D CB 0.569 41.441 40.800 0.119 0.000 1.111 287 D HN 0.323 nan 8.370 nan 0.000 0.478 288 N N 3.024 121.752 118.700 0.046 0.000 2.426 288 N HA 0.222 4.962 4.740 -0.000 0.000 0.257 288 N C -0.198 175.354 175.510 0.071 0.000 1.002 288 N CA -0.352 52.730 53.050 0.053 0.000 0.942 288 N CB 1.782 40.299 38.487 0.050 0.000 1.112 288 N HN 0.231 nan 8.380 nan 0.000 0.499 289 L N 2.309 123.563 121.223 0.051 0.000 2.289 289 L HA 0.485 4.825 4.340 -0.000 0.000 0.285 289 L C 0.423 177.336 176.870 0.072 0.000 1.049 289 L CA -0.301 54.578 54.840 0.065 0.000 0.804 289 L CB 1.259 43.345 42.059 0.045 0.000 1.195 289 L HN 0.382 nan 8.230 nan 0.000 0.428 290 M N 6.862 126.538 119.600 0.127 0.000 1.987 290 M HA 0.412 4.892 4.480 -0.000 0.000 0.298 290 M C -2.647 173.741 176.300 0.146 0.000 0.892 290 M CA -1.604 53.751 55.300 0.091 0.000 0.885 290 M CB 1.618 34.312 32.600 0.157 0.000 1.469 290 M HN 0.214 nan 8.290 nan 0.000 0.389 291 P HA 0.306 nan 4.420 nan 0.000 0.276 291 P C -1.427 175.951 177.300 0.130 0.000 1.244 291 P CA -0.088 63.121 63.100 0.182 0.000 0.801 291 P CB 0.832 32.586 31.700 0.091 0.000 1.006 292 F N 1.050 121.009 119.950 0.015 0.000 2.482 292 F HA 0.377 4.903 4.527 -0.000 0.000 0.331 292 F C 0.916 176.724 175.800 0.013 0.000 1.115 292 F CA -0.457 57.552 58.000 0.016 0.000 0.955 292 F CB 1.339 40.355 39.000 0.026 0.000 1.136 292 F HN 0.210 nan 8.300 nan 0.000 0.452 293 N N 5.000 123.774 118.700 0.123 0.000 2.687 293 N HA 0.239 4.979 4.740 -0.000 0.000 0.275 293 N C -1.331 174.219 175.510 0.067 0.000 1.789 293 N CA -0.112 52.991 53.050 0.088 0.000 0.806 293 N CB 1.252 39.767 38.487 0.046 0.000 1.256 293 N HN 0.405 nan 8.380 nan 0.000 0.500 294 L N 0.528 121.808 121.223 0.095 0.000 2.325 294 L HA 0.631 4.971 4.340 -0.000 0.000 0.279 294 L C -0.061 176.852 176.870 0.072 0.000 1.054 294 L CA -1.013 53.867 54.840 0.067 0.000 0.804 294 L CB 1.869 43.975 42.059 0.078 0.000 1.200 294 L HN -0.156 nan 8.230 nan 0.000 0.436 295 V N 4.236 124.184 119.914 0.058 0.000 2.447 295 V HA 0.354 4.474 4.120 -0.000 0.000 0.292 295 V C -0.399 175.731 176.094 0.058 0.000 1.021 295 V CA -0.309 62.036 62.300 0.076 0.000 0.850 295 V CB 1.882 33.749 31.823 0.074 0.000 1.005 295 V HN 0.453 nan 8.190 nan 0.000 0.426 296 I N 8.545 129.153 120.570 0.064 0.000 2.307 296 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 296 I C -2.012 174.141 176.117 0.059 0.000 1.021 296 I CA -1.964 59.363 61.300 0.045 0.000 1.224 296 I CB 1.452 39.472 38.000 0.033 0.000 1.376 296 I HN 0.403 nan 8.210 nan 0.000 0.470 297 P HA 0.152 nan 4.420 nan 0.000 0.277 297 P C 0.533 177.852 177.300 0.032 0.000 1.240 297 P CA -0.273 62.851 63.100 0.040 0.000 0.798 297 P CB 0.994 32.708 31.700 0.023 0.000 0.979 298 T N 1.017 115.591 114.554 0.033 0.000 2.699 298 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 298 T C 1.607 176.312 174.700 0.008 0.000 1.036 298 T CA 2.023 64.137 62.100 0.023 0.000 1.147 298 T CB -0.898 67.985 68.868 0.025 0.000 0.862 298 T HN 0.614 nan 8.240 nan 0.000 0.446 299 N N 1.538 120.244 118.700 0.008 0.000 2.348 299 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 299 N C 1.470 176.982 175.510 0.003 0.000 1.019 299 N CA 1.016 54.069 53.050 0.005 0.000 0.880 299 N CB -0.282 38.209 38.487 0.006 0.000 0.965 299 N HN 0.505 nan 8.380 nan 0.000 0.437 300 E N 0.237 120.438 120.200 0.002 0.000 2.371 300 E HA 0.185 4.535 4.350 -0.000 0.000 0.194 300 E C 0.159 176.752 176.600 -0.012 0.000 1.012 300 E CA -0.039 56.359 56.400 -0.003 0.000 0.860 300 E CB 0.227 29.926 29.700 -0.002 0.000 0.811 300 E HN 0.400 nan 8.360 nan 0.000 0.502 301 I N 2.134 122.694 120.570 -0.016 0.000 2.294 301 I HA -0.007 4.163 4.170 -0.000 0.000 0.295 301 I C 1.343 177.424 176.117 -0.060 0.000 1.098 301 I CA -0.058 61.221 61.300 -0.036 0.000 1.277 301 I CB 1.053 39.035 38.000 -0.030 0.000 1.434 301 I HN 0.029 nan 8.210 nan 0.000 0.498 302 T N 1.709 116.211 114.554 -0.087 0.000 3.067 302 T HA 0.036 4.386 4.350 -0.000 0.000 0.257 302 T C 0.480 174.996 174.700 -0.308 0.000 1.105 302 T CA 0.168 62.199 62.100 -0.116 0.000 1.104 302 T CB -0.002 68.822 68.868 -0.073 0.000 0.925 302 T HN 0.732 nan 8.240 nan 0.000 0.498 303 Q N -0.243 119.330 119.800 -0.379 0.000 2.472 303 Q HA 0.552 4.891 4.340 -0.000 0.000 0.281 303 Q C -3.477 172.398 176.000 -0.207 0.000 0.997 303 Q CA -2.487 52.970 55.803 -0.577 0.000 0.828 303 Q CB 0.882 28.864 28.738 -1.261 0.000 1.443 303 Q HN -0.101 nan 8.270 nan 0.000 0.390 304 P HA 0.015 nan 4.420 nan 0.000 0.263 304 P C -0.820 176.517 177.300 0.061 0.000 1.175 304 P CA 0.471 63.600 63.100 0.048 0.000 0.761 304 P CB 0.324 32.145 31.700 0.200 0.000 0.794 305 I N 2.742 123.339 120.570 0.045 0.000 2.342 305 I HA 0.127 4.297 4.170 -0.000 0.000 0.291 305 I C 1.359 177.520 176.117 0.074 0.000 1.010 305 I CA 0.121 61.449 61.300 0.046 0.000 1.308 305 I CB 1.100 39.114 38.000 0.022 0.000 1.400 305 I HN 0.421 nan 8.210 nan 0.000 0.488 306 T N -0.158 114.444 114.554 0.080 0.000 3.040 306 T HA 0.238 4.588 4.350 -0.000 0.000 0.266 306 T C 0.312 175.030 174.700 0.031 0.000 1.005 306 T CA -0.121 62.031 62.100 0.087 0.000 0.906 306 T CB 0.113 69.078 68.868 0.161 0.000 1.082 306 T HN 0.616 nan 8.240 nan 0.000 0.531 307 S N 0.344 116.050 115.700 0.010 0.000 2.567 307 S HA 0.714 5.184 4.470 -0.000 0.000 0.270 307 S C -1.542 173.060 174.600 0.002 0.000 1.152 307 S CA -1.067 57.128 58.200 -0.008 0.000 0.835 307 S CB 1.743 64.939 63.200 -0.007 0.000 1.115 307 S HN 0.450 nan 8.310 nan 0.000 0.459 308 I N 1.239 121.820 120.570 0.019 0.000 2.582 308 I HA 0.710 4.880 4.170 -0.000 0.000 0.292 308 I C -1.659 174.465 176.117 0.012 0.000 1.066 308 I CA -0.757 60.574 61.300 0.052 0.000 1.053 308 I CB 1.883 39.937 38.000 0.090 0.000 1.241 308 I HN 1.032 nan 8.210 nan 0.000 0.421 309 K N 6.343 126.690 120.400 -0.088 0.000 2.502 309 K HA 0.605 4.924 4.320 -0.000 0.000 0.257 309 K C -2.059 174.341 176.600 -0.333 0.000 0.938 309 K CA -0.957 55.108 56.287 -0.370 0.000 0.819 309 K CB 2.579 34.925 32.500 -0.257 0.000 1.333 309 K HN 0.462 nan 8.250 nan 0.000 0.434 310 L N 0.994 121.816 121.223 -0.669 0.000 2.333 310 L HA 0.458 4.798 4.340 -0.000 0.000 0.280 310 L C -1.044 175.754 176.870 -0.120 0.000 1.004 310 L CA -0.027 54.649 54.840 -0.274 0.000 0.820 310 L CB 1.791 43.710 42.059 -0.233 0.000 1.247 310 L HN 0.846 nan 8.230 nan 0.000 0.416 311 E N 4.507 124.741 120.200 0.057 0.000 2.183 311 E HA 0.583 4.933 4.350 -0.000 0.000 0.271 311 E C -1.328 175.307 176.600 0.059 0.000 0.919 311 E CA -0.588 55.851 56.400 0.066 0.000 0.781 311 E CB 1.701 31.504 29.700 0.172 0.000 1.140 311 E HN 0.600 nan 8.360 nan 0.000 0.402 312 I N 3.364 123.961 120.570 0.046 0.000 2.466 312 I HA 0.275 4.445 4.170 -0.000 0.000 0.289 312 I C -0.987 175.127 176.117 -0.005 0.000 1.026 312 I CA -0.905 60.407 61.300 0.019 0.000 1.078 312 I CB 1.995 40.040 38.000 0.075 0.000 1.249 312 I HN 0.211 nan 8.210 nan 0.000 0.429 313 V N 4.940 124.831 119.914 -0.039 0.000 2.357 313 V HA 0.370 4.489 4.120 -0.000 0.000 0.284 313 V C 0.053 176.123 176.094 -0.039 0.000 1.018 313 V CA -0.415 61.868 62.300 -0.027 0.000 0.841 313 V CB 1.638 33.451 31.823 -0.017 0.000 0.991 313 V HN 0.699 nan 8.190 nan 0.000 0.437 314 T N 4.391 118.945 114.554 -0.000 0.000 2.767 314 T HA 0.602 4.952 4.350 -0.000 0.000 0.288 314 T C 0.075 174.840 174.700 0.110 0.000 0.963 314 T CA -0.331 61.815 62.100 0.076 0.000 1.019 314 T CB 1.201 70.200 68.868 0.218 0.000 0.923 314 T HN 0.894 nan 8.240 nan 0.000 0.468 315 S N 2.534 118.295 115.700 0.102 0.000 2.627 315 S HA 0.741 5.211 4.470 -0.000 0.000 0.283 315 S C -1.164 173.536 174.600 0.166 0.000 1.127 315 S CA -1.103 57.171 58.200 0.124 0.000 0.863 315 S CB 2.193 65.437 63.200 0.074 0.000 1.121 315 S HN 0.599 nan 8.310 nan 0.000 0.479 316 K N 1.088 121.633 120.400 0.241 0.000 2.705 316 K HA 0.398 4.718 4.320 -0.000 0.000 0.238 316 K C 0.803 177.523 176.600 0.200 0.000 0.996 316 K CA -0.339 56.077 56.287 0.214 0.000 1.007 316 K CB 1.358 34.004 32.500 0.244 0.000 1.206 316 K HN 0.666 nan 8.250 nan 0.000 0.488 317 S N 2.487 118.259 115.700 0.120 0.000 2.427 317 S HA -0.171 4.298 4.470 -0.000 0.000 0.231 317 S C 1.137 175.765 174.600 0.046 0.000 1.045 317 S CA 2.025 60.278 58.200 0.089 0.000 1.154 317 S CB -0.463 62.767 63.200 0.051 0.000 1.093 317 S HN 0.789 nan 8.310 nan 0.000 0.422 318 G N 1.260 110.063 108.800 0.004 0.000 3.213 318 G HA2 0.517 4.477 3.960 -0.000 0.000 0.263 318 G HA3 0.517 4.477 3.960 -0.000 0.000 0.263 318 G C -0.006 174.810 174.900 -0.140 0.000 0.829 318 G CA 0.119 45.189 45.100 -0.049 0.000 1.983 318 G HN 0.689 nan 8.290 nan 0.000 0.616 319 G N 0.178 108.790 108.800 -0.314 0.000 2.569 319 G HA2 0.703 4.663 3.960 -0.000 0.000 0.300 319 G HA3 0.703 4.663 3.960 -0.000 0.000 0.300 319 G C -0.767 173.489 174.900 -1.072 0.000 1.269 319 G CA -0.878 43.805 45.100 -0.695 0.000 0.959 319 G HN 0.652 nan 8.290 nan 0.000 0.478 320 Q N -0.614 118.654 119.800 -0.887 0.000 2.456 320 Q HA 0.725 5.065 4.340 -0.000 0.000 0.284 320 Q C -0.276 175.650 176.000 -0.123 0.000 1.061 320 Q CA -1.077 54.448 55.803 -0.465 0.000 0.799 320 Q CB 1.743 30.366 28.738 -0.191 0.000 1.445 320 Q HN 1.034 nan 8.270 nan 0.000 0.411 321 A N 0.512 123.410 122.820 0.129 0.000 2.624 321 A HA 0.311 4.631 4.320 -0.000 0.000 0.231 321 A C 1.358 179.001 177.584 0.097 0.000 1.034 321 A CA 1.374 53.522 52.037 0.184 0.000 0.754 321 A CB -1.176 17.893 19.000 0.115 0.000 0.953 321 A HN 1.725 nan 8.150 nan 0.000 0.509 322 G N 1.698 110.561 108.800 0.105 0.000 2.420 322 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.221 322 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.221 322 G C 0.148 175.082 174.900 0.057 0.000 1.117 322 G CA 0.369 45.504 45.100 0.058 0.000 0.657 322 G HN 0.945 nan 8.290 nan 0.000 0.512 323 D N 1.558 121.995 120.400 0.062 0.000 2.474 323 D HA 0.300 4.940 4.640 -0.000 0.000 0.232 323 D C 0.544 176.897 176.300 0.088 0.000 1.177 323 D CA 0.816 54.850 54.000 0.057 0.000 0.876 323 D CB 0.400 41.219 40.800 0.031 0.000 1.208 323 D HN 0.394 nan 8.370 nan 0.000 0.464 324 Q N 1.102 120.936 119.800 0.057 0.000 2.327 324 Q HA 0.288 4.627 4.340 -0.000 0.000 0.270 324 Q C -0.541 175.484 176.000 0.042 0.000 1.022 324 Q CA -0.528 55.290 55.803 0.024 0.000 0.773 324 Q CB 1.593 30.318 28.738 -0.022 0.000 1.251 324 Q HN 0.425 nan 8.270 nan 0.000 0.457 325 M N 1.037 120.676 119.600 0.065 0.000 2.209 325 M HA 0.643 5.123 4.480 -0.000 0.000 0.355 325 M C -0.143 176.175 176.300 0.030 0.000 1.171 325 M CA -0.559 54.825 55.300 0.140 0.000 1.069 325 M CB 1.332 34.097 32.600 0.277 0.000 1.622 325 M HN 0.440 nan 8.290 nan 0.000 0.459 326 S N 2.673 118.436 115.700 0.105 0.000 2.596 326 S HA 0.895 5.365 4.470 -0.000 0.000 0.270 326 S C -1.673 173.083 174.600 0.259 0.000 1.155 326 S CA -0.799 57.377 58.200 -0.040 0.000 0.827 326 S CB 2.025 65.143 63.200 -0.137 0.000 1.130 326 S HN 1.099 nan 8.310 nan 0.000 0.467 327 W N -0.660 120.817 121.300 0.296 0.000 2.982 327 W HA 0.714 5.374 4.660 -0.001 0.000 0.344 327 W C -1.531 175.137 176.519 0.248 0.000 1.215 327 W CA -0.653 56.862 57.345 0.284 0.000 1.182 327 W CB 0.860 30.537 29.460 0.361 0.000 1.437 327 W HN 0.892 nan 8.180 nan 0.000 0.570 328 S N 0.755 116.887 115.700 0.721 0.000 2.513 328 S HA 0.845 5.314 4.470 -0.000 0.000 0.299 328 S C -1.016 173.844 174.600 0.434 0.000 1.087 328 S CA -0.113 58.382 58.200 0.491 0.000 1.012 328 S CB 1.308 64.691 63.200 0.306 0.000 1.044 328 S HN 1.020 nan 8.310 nan 0.000 0.485 329 A N 2.814 125.823 122.820 0.316 0.000 2.475 329 A HA 0.866 5.186 4.320 -0.000 0.000 0.301 329 A C -0.707 176.842 177.584 -0.058 0.000 1.059 329 A CA -0.597 51.371 52.037 -0.115 0.000 0.710 329 A CB 1.938 20.686 19.000 -0.419 0.000 1.288 329 A HN 0.700 nan 8.150 nan 0.000 0.408 330 S N -0.768 114.814 115.700 -0.197 0.000 2.549 330 S HA 0.943 5.412 4.470 -0.000 0.000 0.280 330 S C -0.266 174.242 174.600 -0.152 0.000 1.109 330 S CA 0.037 58.175 58.200 -0.103 0.000 0.905 330 S CB 2.076 65.241 63.200 -0.060 0.000 1.081 330 S HN 2.152 nan 8.310 nan 0.000 0.477 331 G N 0.954 109.690 108.800 -0.107 0.000 2.376 331 G HA2 0.463 4.422 3.960 -0.000 0.000 0.302 331 G HA3 0.463 4.422 3.960 -0.000 0.000 0.302 331 G C -1.624 173.192 174.900 -0.140 0.000 1.586 331 G CA -0.575 44.454 45.100 -0.119 0.000 0.907 331 G HN 0.646 nan 8.290 nan 0.000 0.655 332 S N -0.363 115.241 115.700 -0.162 0.000 2.548 332 S HA 0.846 5.316 4.470 -0.000 0.000 0.286 332 S C -0.348 174.091 174.600 -0.267 0.000 1.098 332 S CA -0.721 57.361 58.200 -0.197 0.000 0.930 332 S CB 1.544 64.662 63.200 -0.136 0.000 1.070 332 S HN 0.659 nan 8.310 nan 0.000 0.480 333 L N 1.310 122.349 121.223 -0.307 0.000 2.323 333 L HA 0.934 5.274 4.340 -0.000 0.000 0.265 333 L C -0.462 176.295 176.870 -0.188 0.000 1.012 333 L CA -1.143 53.491 54.840 -0.343 0.000 0.820 333 L CB 1.826 43.617 42.059 -0.446 0.000 1.334 333 L HN 0.721 nan 8.230 nan 0.000 0.427 334 A N 1.587 124.332 122.820 -0.124 0.000 2.332 334 A HA 0.706 5.026 4.320 -0.000 0.000 0.300 334 A C -0.860 176.717 177.584 -0.011 0.000 1.153 334 A CA -0.466 51.541 52.037 -0.050 0.000 0.764 334 A CB 1.389 20.369 19.000 -0.034 0.000 1.174 334 A HN 0.364 nan 8.150 nan 0.000 0.467 335 V N 2.872 122.810 119.914 0.040 0.000 2.364 335 V HA 0.412 4.532 4.120 -0.000 0.000 0.272 335 V C 0.160 176.305 176.094 0.086 0.000 1.036 335 V CA -0.133 62.209 62.300 0.070 0.000 0.880 335 V CB 1.215 33.096 31.823 0.096 0.000 0.991 335 V HN 0.861 nan 8.190 nan 0.000 0.460 336 T N 6.590 121.137 114.554 -0.011 0.000 2.756 336 T HA 0.492 4.842 4.350 -0.000 0.000 0.290 336 T C -0.089 174.479 174.700 -0.219 0.000 0.985 336 T CA -0.282 61.765 62.100 -0.089 0.000 0.955 336 T CB 0.590 69.391 68.868 -0.112 0.000 0.930 336 T HN 0.308 nan 8.240 nan 0.000 0.451 337 I N 4.752 125.260 120.570 -0.103 0.000 2.287 337 I HA 0.147 4.317 4.170 -0.000 0.000 0.290 337 I C 0.714 176.779 176.117 -0.087 0.000 1.069 337 I CA -0.782 60.464 61.300 -0.090 0.000 1.237 337 I CB -0.212 37.823 38.000 0.059 0.000 1.418 337 I HN 0.575 nan 8.210 nan 0.000 0.481 338 H N 5.261 124.361 119.070 0.050 0.000 3.125 338 H HA 0.013 4.569 4.556 -0.001 0.000 0.310 338 H C 1.504 176.848 175.328 0.028 0.000 0.980 338 H CA 1.014 57.082 56.048 0.034 0.000 1.422 338 H CB 0.335 30.112 29.762 0.025 0.000 1.432 338 H HN 0.935 nan 8.280 nan 0.000 0.577 339 G N 2.694 111.579 108.800 0.141 0.000 2.180 339 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.263 339 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.263 339 G C 1.570 176.525 174.900 0.092 0.000 0.989 339 G CA 0.847 46.002 45.100 0.092 0.000 0.692 339 G HN 0.883 nan 8.290 nan 0.000 0.526 340 G N 0.182 109.028 108.800 0.077 0.000 2.450 340 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 340 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 340 G C 1.305 176.241 174.900 0.061 0.000 1.130 340 G CA 1.273 46.414 45.100 0.067 0.000 0.760 340 G HN 0.520 nan 8.290 nan 0.000 0.557 341 N N -0.763 117.965 118.700 0.046 0.000 2.322 341 N HA 0.060 4.799 4.740 -0.000 0.000 0.194 341 N C -0.373 175.166 175.510 0.047 0.000 1.126 341 N CA -0.424 52.637 53.050 0.019 0.000 0.845 341 N CB -0.052 38.421 38.487 -0.023 0.000 0.976 341 N HN 0.452 nan 8.380 nan 0.000 0.475 342 Y N 2.809 123.090 120.300 -0.031 0.000 2.569 342 Y HA 0.162 4.711 4.550 -0.000 0.000 0.332 342 Y C -2.092 173.781 175.900 -0.045 0.000 1.120 342 Y CA -1.947 56.129 58.100 -0.039 0.000 1.416 342 Y CB 0.544 38.972 38.460 -0.054 0.000 1.210 342 Y HN -0.001 nan 8.280 nan 0.000 0.528 343 P HA 0.059 nan 4.420 nan 0.000 0.258 343 P C 0.526 177.796 177.300 -0.050 0.000 1.172 343 P CA 1.989 64.954 63.100 -0.225 0.000 0.762 343 P CB 0.360 31.858 31.700 -0.336 0.000 0.764 344 G N 3.062 111.903 108.800 0.068 0.000 2.259 344 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 344 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 344 G C 1.166 176.187 174.900 0.201 0.000 1.001 344 G CA 0.339 45.530 45.100 0.152 0.000 0.627 344 G HN 0.629 nan 8.290 nan 0.000 0.501 345 A N -0.220 122.704 122.820 0.174 0.000 1.898 345 A HA 0.535 4.855 4.320 -0.000 0.000 0.216 345 A C 2.268 179.974 177.584 0.204 0.000 1.181 345 A CA 1.989 54.086 52.037 0.100 0.000 0.620 345 A CB -0.204 18.832 19.000 0.060 0.000 0.819 345 A HN 0.851 nan 8.150 nan 0.000 0.442 346 L N -2.287 119.048 121.223 0.186 0.000 2.806 346 L HA 0.212 4.551 4.340 -0.000 0.000 0.242 346 L C 0.791 177.809 176.870 0.247 0.000 1.068 346 L CA -0.049 54.913 54.840 0.203 0.000 0.923 346 L CB 0.310 42.460 42.059 0.152 0.000 1.364 346 L HN 0.448 nan 8.230 nan 0.000 0.511 347 R N 0.657 121.257 120.500 0.165 0.000 2.807 347 R HA 0.588 4.928 4.340 -0.000 0.000 0.276 347 R C -2.976 173.380 176.300 0.093 0.000 0.979 347 R CA -1.745 54.419 56.100 0.107 0.000 0.928 347 R CB 1.569 31.870 30.300 0.000 0.000 1.191 347 R HN -0.282 nan 8.270 nan 0.000 0.471 348 P HA 0.211 nan 4.420 nan 0.000 0.284 348 P C -0.733 176.648 177.300 0.135 0.000 1.292 348 P CA -0.634 62.489 63.100 0.039 0.000 0.800 348 P CB 1.281 32.972 31.700 -0.016 0.000 1.188 349 V N -4.210 115.786 119.914 0.136 0.000 2.656 349 V HA 0.636 4.756 4.120 -0.000 0.000 0.307 349 V C -0.472 175.674 176.094 0.086 0.000 1.051 349 V CA -0.469 61.898 62.300 0.110 0.000 0.893 349 V CB 1.394 33.275 31.823 0.096 0.000 0.999 349 V HN 0.417 nan 8.190 nan 0.000 0.426 350 T N 6.644 121.227 114.554 0.049 0.000 2.770 350 T HA 0.596 4.945 4.350 -0.000 0.000 0.283 350 T C -0.380 174.350 174.700 0.050 0.000 0.988 350 T CA -0.330 61.815 62.100 0.074 0.000 0.957 350 T CB 0.804 69.733 68.868 0.102 0.000 0.930 350 T HN 0.585 nan 8.240 nan 0.000 0.443 351 L N 4.030 125.256 121.223 0.006 0.000 2.295 351 L HA 0.594 4.933 4.340 -0.000 0.000 0.285 351 L C -0.378 176.501 176.870 0.015 0.000 1.035 351 L CA -0.848 53.962 54.840 -0.049 0.000 0.806 351 L CB 1.590 43.586 42.059 -0.104 0.000 1.214 351 L HN 0.355 nan 8.230 nan 0.000 0.426 352 V N 2.820 122.758 119.914 0.039 0.000 2.349 352 V HA 0.558 4.678 4.120 -0.000 0.000 0.284 352 V C 0.305 176.474 176.094 0.126 0.000 1.014 352 V CA -0.561 61.807 62.300 0.114 0.000 0.826 352 V CB 1.506 33.462 31.823 0.223 0.000 1.009 352 V HN 0.890 nan 8.190 nan 0.000 0.431 353 A N 5.409 128.299 122.820 0.117 0.000 2.324 353 A HA 0.952 5.272 4.320 -0.000 0.000 0.330 353 A C -0.968 176.854 177.584 0.398 0.000 1.165 353 A CA -0.474 51.666 52.037 0.171 0.000 0.813 353 A CB 0.989 20.064 19.000 0.125 0.000 1.197 353 A HN 1.051 nan 8.150 nan 0.000 0.484 354 Y N -0.372 120.123 120.300 0.326 0.000 2.512 354 Y HA 0.766 5.315 4.550 -0.001 0.000 0.348 354 Y C -0.503 175.455 175.900 0.097 0.000 0.990 354 Y CA -1.018 57.233 58.100 0.252 0.000 1.033 354 Y CB 1.352 39.904 38.460 0.152 0.000 1.259 354 Y HN 0.858 nan 8.280 nan 0.000 0.461 355 E N 1.076 121.306 120.200 0.051 0.000 2.413 355 E HA 0.648 4.998 4.350 -0.000 0.000 0.277 355 E C -0.783 175.782 176.600 -0.059 0.000 0.958 355 E CA -1.448 54.876 56.400 -0.127 0.000 0.779 355 E CB 1.984 31.390 29.700 -0.491 0.000 1.278 355 E HN 0.726 nan 8.360 nan 0.000 0.456 356 R N -0.374 120.109 120.500 -0.029 0.000 3.872 356 R HA -0.111 4.228 4.340 -0.000 0.000 0.341 356 R C -0.790 175.528 176.300 0.029 0.000 1.172 356 R CA 0.761 56.853 56.100 -0.014 0.000 0.901 356 R CB -2.064 28.207 30.300 -0.049 0.000 1.422 356 R HN 0.403 nan 8.270 nan 0.000 0.523 357 V N 1.048 121.011 119.914 0.083 0.000 2.546 357 V HA 0.516 4.635 4.120 -0.000 0.000 0.284 357 V C 1.193 177.317 176.094 0.050 0.000 1.050 357 V CA -0.120 62.219 62.300 0.064 0.000 0.981 357 V CB 1.586 33.450 31.823 0.068 0.000 0.990 357 V HN 0.343 nan 8.190 nan 0.000 0.474 358 A N 3.724 126.559 122.820 0.025 0.000 2.546 358 A HA 0.274 4.594 4.320 -0.000 0.000 0.243 358 A C 0.791 178.392 177.584 0.029 0.000 1.063 358 A CA 0.144 52.194 52.037 0.021 0.000 0.757 358 A CB -0.388 18.618 19.000 0.011 0.000 0.991 358 A HN 0.867 nan 8.150 nan 0.000 0.503 359 T N 1.960 116.534 114.554 0.033 0.000 2.946 359 T HA 0.384 4.734 4.350 -0.000 0.000 0.312 359 T C 1.610 176.326 174.700 0.028 0.000 1.066 359 T CA 1.637 63.761 62.100 0.039 0.000 1.138 359 T CB 0.403 69.291 68.868 0.032 0.000 1.014 359 T HN 2.071 nan 8.240 nan 0.000 0.544 360 G N 2.808 111.627 108.800 0.032 0.000 2.179 360 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 360 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 360 G C 0.442 175.346 174.900 0.008 0.000 0.977 360 G CA 0.197 45.309 45.100 0.020 0.000 0.641 360 G HN 0.816 nan 8.290 nan 0.000 0.533 361 S N -0.933 114.767 115.700 0.000 0.000 2.608 361 S HA 0.551 5.020 4.470 -0.000 0.000 0.261 361 S C 0.424 175.001 174.600 -0.038 0.000 1.314 361 S CA -0.100 58.088 58.200 -0.021 0.000 0.992 361 S CB 2.150 65.329 63.200 -0.034 0.000 0.935 361 S HN 0.725 nan 8.310 nan 0.000 0.564 362 V N 2.006 121.890 119.914 -0.051 0.000 2.398 362 V HA 0.334 4.454 4.120 -0.000 0.000 0.286 362 V C -0.390 175.642 176.094 -0.104 0.000 1.026 362 V CA -0.601 61.661 62.300 -0.063 0.000 0.868 362 V CB 1.544 33.344 31.823 -0.039 0.000 0.982 362 V HN 0.627 nan 8.190 nan 0.000 0.443 363 V N 4.553 124.372 119.914 -0.159 0.000 2.333 363 V HA 0.311 4.431 4.120 -0.000 0.000 0.274 363 V C 0.446 176.464 176.094 -0.128 0.000 1.028 363 V CA -0.151 62.025 62.300 -0.207 0.000 0.851 363 V CB 1.747 33.328 31.823 -0.404 0.000 1.000 363 V HN 0.959 nan 8.190 nan 0.000 0.456 364 T N 5.354 119.866 114.554 -0.069 0.000 2.771 364 T HA 0.488 4.837 4.350 -0.000 0.000 0.291 364 T C -0.137 174.573 174.700 0.017 0.000 0.954 364 T CA -0.197 61.891 62.100 -0.019 0.000 1.045 364 T CB 1.297 70.157 68.868 -0.014 0.000 0.917 364 T HN 0.335 nan 8.240 nan 0.000 0.484 365 V N 2.638 122.593 119.914 0.069 0.000 2.459 365 V HA 0.834 4.953 4.120 -0.000 0.000 0.295 365 V C -0.028 176.131 176.094 0.109 0.000 1.029 365 V CA -0.841 61.536 62.300 0.127 0.000 0.874 365 V CB 1.364 33.328 31.823 0.236 0.000 0.985 365 V HN 1.066 nan 8.190 nan 0.000 0.438 366 A N 3.330 126.190 122.820 0.067 0.000 2.408 366 A HA 0.981 5.301 4.320 -0.000 0.000 0.295 366 A C -0.183 177.405 177.584 0.008 0.000 1.040 366 A CA 0.097 52.155 52.037 0.036 0.000 0.707 366 A CB 1.866 20.873 19.000 0.011 0.000 1.235 366 A HN 1.329 nan 8.150 nan 0.000 0.418 367 G N -0.430 108.379 108.800 0.016 0.000 2.600 367 G HA2 0.646 4.605 3.960 -0.000 0.000 0.293 367 G HA3 0.646 4.605 3.960 -0.000 0.000 0.293 367 G C -1.873 173.027 174.900 -0.001 0.000 1.408 367 G CA -0.391 44.698 45.100 -0.020 0.000 0.782 367 G HN 1.259 nan 8.290 nan 0.000 0.482 368 V N -0.049 119.848 119.914 -0.028 0.000 2.789 368 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 368 V C -0.318 175.740 176.094 -0.061 0.000 1.073 368 V CA -0.725 61.562 62.300 -0.022 0.000 0.921 368 V CB 2.033 33.836 31.823 -0.033 0.000 1.009 368 V HN 0.770 nan 8.190 nan 0.000 0.426 369 S N 3.624 119.284 115.700 -0.066 0.000 2.502 369 S HA 0.569 5.039 4.470 -0.000 0.000 0.304 369 S C -0.707 173.598 174.600 -0.492 0.000 1.097 369 S CA -0.763 57.280 58.200 -0.261 0.000 1.045 369 S CB 1.139 64.281 63.200 -0.098 0.000 1.019 369 S HN 0.750 nan 8.310 nan 0.000 0.481 370 N N 2.104 120.415 118.700 -0.648 0.000 2.372 370 N HA 0.630 5.370 4.740 -0.000 0.000 0.291 370 N C -1.374 173.682 175.510 -0.757 0.000 1.024 370 N CA -0.193 52.558 53.050 -0.499 0.000 0.873 370 N CB 1.244 39.602 38.487 -0.215 0.000 1.206 370 N HN 0.386 nan 8.380 nan 0.000 0.486 371 F N -0.247 119.708 119.950 0.009 0.000 2.603 371 F HA 0.408 4.935 4.527 -0.000 0.000 0.317 371 F C 0.494 176.292 175.800 -0.003 0.000 1.066 371 F CA -0.912 57.075 58.000 -0.021 0.000 0.941 371 F CB 1.731 40.685 39.000 -0.076 0.000 1.291 371 F HN 0.115 nan 8.300 nan 0.000 0.472 372 E N 2.188 122.490 120.200 0.169 0.000 2.166 372 E HA 0.702 5.052 4.350 -0.000 0.000 0.275 372 E C -1.260 175.445 176.600 0.175 0.000 0.941 372 E CA -0.580 55.902 56.400 0.136 0.000 0.784 372 E CB 2.225 31.810 29.700 -0.192 0.000 1.115 372 E HN 0.431 nan 8.360 nan 0.000 0.399 373 L N 2.940 124.324 121.223 0.268 0.000 2.376 373 L HA 0.593 4.933 4.340 -0.000 0.000 0.258 373 L C -0.714 176.373 176.870 0.362 0.000 1.013 373 L CA -0.881 54.081 54.840 0.203 0.000 0.822 373 L CB 2.045 43.939 42.059 -0.276 0.000 1.388 373 L HN 0.430 nan 8.230 nan 0.000 0.413 374 I N 3.225 124.035 120.570 0.401 0.000 2.418 374 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 374 I C -2.226 174.133 176.117 0.404 0.000 1.008 374 I CA -1.882 59.623 61.300 0.342 0.000 1.104 374 I CB 2.345 40.505 38.000 0.267 0.000 1.264 374 I HN 0.266 nan 8.210 nan 0.000 0.438 375 P HA 0.037 nan 4.420 nan 0.000 0.270 375 P C -0.992 176.322 177.300 0.023 0.000 1.223 375 P CA -0.301 62.851 63.100 0.087 0.000 0.785 375 P CB 0.504 32.197 31.700 -0.013 0.000 0.923 376 N N 2.037 120.683 118.700 -0.090 0.000 2.317 376 N HA 0.104 4.843 4.740 -0.000 0.000 0.245 376 N C -1.977 173.506 175.510 -0.044 0.000 1.294 376 N CA -1.775 51.245 53.050 -0.051 0.000 0.924 376 N CB -1.547 36.892 38.487 -0.081 0.000 1.186 376 N HN 0.154 nan 8.380 nan 0.000 0.495 377 P HA -0.165 nan 4.420 nan 0.000 0.216 377 P C 1.004 178.285 177.300 -0.033 0.000 1.153 377 P CA 1.606 64.693 63.100 -0.021 0.000 0.858 377 P CB 0.184 31.875 31.700 -0.015 0.000 0.789 378 E N -0.750 119.423 120.200 -0.046 0.000 2.046 378 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 378 E C 1.881 178.445 176.600 -0.059 0.000 0.982 378 E CA 0.821 57.193 56.400 -0.047 0.000 0.800 378 E CB -1.119 28.551 29.700 -0.049 0.000 0.756 378 E HN 0.087 nan 8.360 nan 0.000 0.449 379 L N -0.360 120.808 121.223 -0.093 0.000 2.201 379 L HA -0.038 4.301 4.340 -0.000 0.000 0.212 379 L C 2.042 178.870 176.870 -0.072 0.000 1.105 379 L CA 1.165 55.938 54.840 -0.113 0.000 0.775 379 L CB -0.231 41.692 42.059 -0.227 0.000 0.913 379 L HN 0.189 nan 8.230 nan 0.000 0.440 380 A N -0.516 122.273 122.820 -0.051 0.000 2.070 380 A HA -0.245 4.074 4.320 -0.000 0.000 0.220 380 A C 2.199 179.772 177.584 -0.017 0.000 1.159 380 A CA 1.661 53.685 52.037 -0.021 0.000 0.656 380 A CB -0.348 18.647 19.000 -0.009 0.000 0.800 380 A HN 0.377 nan 8.150 nan 0.000 0.453 381 K N -0.330 120.057 120.400 -0.022 0.000 2.211 381 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 381 K C 0.773 177.366 176.600 -0.013 0.000 1.050 381 K CA 1.293 57.570 56.287 -0.016 0.000 0.945 381 K CB 0.051 32.540 32.500 -0.018 0.000 0.732 381 K HN 0.437 nan 8.250 nan 0.000 0.451 382 N N -0.582 118.108 118.700 -0.016 0.000 2.159 382 N HA 0.031 4.771 4.740 -0.000 0.000 0.217 382 N C -1.047 174.462 175.510 -0.001 0.000 1.223 382 N CA -0.041 53.003 53.050 -0.009 0.000 0.896 382 N CB 0.982 39.462 38.487 -0.012 0.000 1.064 382 N HN -0.011 nan 8.380 nan 0.000 0.518 383 L N 2.426 123.649 121.223 0.000 0.000 2.316 383 L HA 0.446 4.785 4.340 -0.000 0.000 0.280 383 L C -0.339 176.544 176.870 0.020 0.000 1.006 383 L CA -0.540 54.312 54.840 0.020 0.000 0.836 383 L CB 1.426 43.503 42.059 0.030 0.000 1.221 383 L HN -0.287 nan 8.230 nan 0.000 0.418 384 V N 3.882 123.807 119.914 0.017 0.000 2.715 384 V HA 0.384 4.504 4.120 -0.000 0.000 0.299 384 V C 0.760 176.851 176.094 -0.005 0.000 1.054 384 V CA -0.194 62.108 62.300 0.003 0.000 1.077 384 V CB 1.492 33.316 31.823 0.002 0.000 0.972 384 V HN 0.915 nan 8.190 nan 0.000 0.484 385 T N 2.026 116.560 114.554 -0.034 0.000 2.887 385 T HA 0.803 5.153 4.350 -0.000 0.000 0.288 385 T C -0.836 173.782 174.700 -0.136 0.000 1.021 385 T CA -0.886 61.169 62.100 -0.074 0.000 1.000 385 T CB 2.323 71.153 68.868 -0.063 0.000 1.034 385 T HN 0.727 nan 8.240 nan 0.000 0.467 386 E N 0.747 120.816 120.200 -0.219 0.000 2.458 386 E HA 0.283 4.632 4.350 -0.000 0.000 0.278 386 E C -0.470 175.959 176.600 -0.285 0.000 1.004 386 E CA -0.983 55.295 56.400 -0.203 0.000 0.823 386 E CB 1.180 30.828 29.700 -0.087 0.000 1.396 386 E HN 0.614 nan 8.360 nan 0.000 0.463 387 Y N 0.870 121.143 120.300 -0.046 0.000 2.395 387 Y HA 0.155 4.705 4.550 -0.000 0.000 0.293 387 Y C 1.263 177.212 175.900 0.081 0.000 1.123 387 Y CA 1.487 59.612 58.100 0.040 0.000 1.227 387 Y CB 0.460 38.946 38.460 0.043 0.000 1.012 387 Y HN 0.808 nan 8.280 nan 0.000 0.552 388 G N 1.120 110.014 108.800 0.157 0.000 3.055 388 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.686 388 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.686 388 G C -0.638 174.382 174.900 0.199 0.000 1.087 388 G CA -0.667 44.531 45.100 0.163 0.000 0.779 388 G HN 0.513 nan 8.290 nan 0.000 0.599 389 R N 1.052 121.648 120.500 0.161 0.000 2.489 389 R HA 0.129 4.469 4.340 -0.000 0.000 0.287 389 R C -0.053 176.377 176.300 0.217 0.000 0.902 389 R CA 0.026 56.221 56.100 0.159 0.000 1.136 389 R CB 0.176 30.544 30.300 0.113 0.000 0.872 389 R HN 1.065 nan 8.270 nan 0.000 0.421 390 F N 3.593 123.571 119.950 0.045 0.000 2.438 390 F HA 0.235 4.762 4.527 -0.001 0.000 0.356 390 F C -0.487 175.330 175.800 0.028 0.000 1.099 390 F CA -1.067 56.951 58.000 0.030 0.000 1.185 390 F CB 1.027 40.035 39.000 0.013 0.000 1.115 390 F HN 0.733 nan 8.300 nan 0.000 0.526 391 D N 9.017 129.133 120.400 -0.474 0.000 2.364 391 D HA 0.234 4.873 4.640 -0.000 0.000 0.251 391 D C -1.623 174.330 176.300 -0.579 0.000 1.282 391 D CA -1.685 52.034 54.000 -0.469 0.000 0.927 391 D CB 1.360 42.076 40.800 -0.140 0.000 1.267 391 D HN 0.269 nan 8.370 nan 0.000 0.531 392 P HA -0.163 nan 4.420 nan 0.000 0.219 392 P C 1.067 178.260 177.300 -0.177 0.000 1.158 392 P CA 1.374 64.149 63.100 -0.542 0.000 0.895 392 P CB 0.313 31.748 31.700 -0.442 0.000 0.792 393 G N -1.664 107.050 108.800 -0.143 0.000 3.233 393 G HA2 0.312 4.271 3.960 -0.000 0.000 0.234 393 G HA3 0.312 4.271 3.960 -0.000 0.000 0.234 393 G C 1.563 176.485 174.900 0.037 0.000 1.137 393 G CA 0.539 45.620 45.100 -0.032 0.000 0.763 393 G HN 0.399 nan 8.290 nan 0.000 0.549 394 A N 0.876 123.702 122.820 0.010 0.000 1.908 394 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 394 A C 2.187 179.844 177.584 0.123 0.000 1.181 394 A CA 2.098 54.195 52.037 0.100 0.000 0.627 394 A CB -0.257 18.785 19.000 0.069 0.000 0.818 394 A HN 0.395 nan 8.150 nan 0.000 0.445 395 M N 0.318 119.937 119.600 0.031 0.000 2.132 395 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 395 M C 1.450 177.803 176.300 0.089 0.000 1.065 395 M CA 1.699 57.006 55.300 0.012 0.000 1.122 395 M CB -0.789 31.793 32.600 -0.029 0.000 1.365 395 M HN 0.385 nan 8.290 nan 0.000 0.411 396 N N -0.969 117.794 118.700 0.105 0.000 2.166 396 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 396 N C 1.665 177.275 175.510 0.167 0.000 1.019 396 N CA 1.281 54.403 53.050 0.120 0.000 0.856 396 N CB -0.600 37.954 38.487 0.112 0.000 0.993 396 N HN 0.463 nan 8.380 nan 0.000 0.426 397 Y N 1.728 122.070 120.300 0.071 0.000 2.242 397 Y HA -0.096 4.453 4.550 -0.000 0.000 0.291 397 Y C 2.322 178.303 175.900 0.135 0.000 1.137 397 Y CA 1.203 59.360 58.100 0.094 0.000 1.181 397 Y CB -0.508 38.008 38.460 0.094 0.000 0.989 397 Y HN 0.015 nan 8.280 nan 0.000 0.527 398 T N -0.149 114.516 114.554 0.184 0.000 2.777 398 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 398 T C 1.869 176.636 174.700 0.112 0.000 1.040 398 T CA 1.700 63.911 62.100 0.185 0.000 1.141 398 T CB -0.121 68.920 68.868 0.288 0.000 0.868 398 T HN 0.225 nan 8.240 nan 0.000 0.444 399 K N 0.421 120.880 120.400 0.099 0.000 2.097 399 K HA -0.018 4.301 4.320 -0.000 0.000 0.206 399 K C 2.149 178.761 176.600 0.019 0.000 1.049 399 K CA 0.827 57.157 56.287 0.070 0.000 0.933 399 K CB -0.294 32.247 32.500 0.068 0.000 0.717 399 K HN 0.138 nan 8.250 nan 0.000 0.442 400 L N 1.224 122.434 121.223 -0.022 0.000 2.027 400 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 400 L C 1.844 178.660 176.870 -0.090 0.000 1.074 400 L CA 1.546 56.348 54.840 -0.064 0.000 0.745 400 L CB -0.310 41.681 42.059 -0.112 0.000 0.898 400 L HN 0.072 nan 8.230 nan 0.000 0.433 401 I N -0.480 120.000 120.570 -0.149 0.000 2.127 401 I HA -0.271 3.899 4.170 -0.000 0.000 0.241 401 I C 2.462 178.579 176.117 -0.000 0.000 1.075 401 I CA 1.167 62.418 61.300 -0.081 0.000 1.334 401 I CB -1.505 36.465 38.000 -0.049 0.000 1.040 401 I HN 0.257 nan 8.210 nan 0.000 0.405 402 L N 0.555 121.791 121.223 0.021 0.000 2.083 402 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 402 L C 2.813 179.686 176.870 0.005 0.000 1.083 402 L CA 1.835 56.690 54.840 0.026 0.000 0.752 402 L CB -1.773 40.313 42.059 0.045 0.000 0.899 402 L HN 0.327 nan 8.230 nan 0.000 0.433 403 S N -0.665 115.037 115.700 0.002 0.000 2.423 403 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 403 S C 1.449 176.047 174.600 -0.005 0.000 1.014 403 S CA 0.851 59.049 58.200 -0.003 0.000 0.965 403 S CB -0.031 63.169 63.200 0.000 0.000 0.785 403 S HN 0.378 nan 8.310 nan 0.000 0.495 404 E N 1.058 121.257 120.200 -0.002 0.000 2.419 404 E HA 0.176 4.526 4.350 -0.000 0.000 0.190 404 E C 1.584 178.189 176.600 0.008 0.000 1.040 404 E CA -0.201 56.202 56.400 0.005 0.000 0.900 404 E CB -0.211 29.497 29.700 0.012 0.000 1.054 404 E HN 0.515 nan 8.360 nan 0.000 0.462 405 R N 1.243 121.741 120.500 -0.003 0.000 2.134 405 R HA -0.211 4.129 4.340 -0.000 0.000 0.248 405 R C 1.193 177.470 176.300 -0.039 0.000 1.143 405 R CA 1.545 57.634 56.100 -0.017 0.000 0.957 405 R CB 0.274 30.553 30.300 -0.036 0.000 0.867 405 R HN 0.048 nan 8.270 nan 0.000 0.441 406 E N 0.042 120.217 120.200 -0.041 0.000 2.072 406 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 406 E C 2.016 178.596 176.600 -0.033 0.000 0.985 406 E CA 1.055 57.424 56.400 -0.051 0.000 0.801 406 E CB -0.422 29.252 29.700 -0.043 0.000 0.750 406 E HN 0.351 nan 8.360 nan 0.000 0.452 407 R N 0.433 120.927 120.500 -0.010 0.000 2.115 407 R HA 0.002 4.342 4.340 -0.000 0.000 0.230 407 R C 2.201 178.516 176.300 0.025 0.000 1.111 407 R CA 0.720 56.823 56.100 0.006 0.000 0.976 407 R CB -0.087 30.223 30.300 0.016 0.000 0.870 407 R HN 0.130 nan 8.270 nan 0.000 0.445 408 L N -0.779 120.470 121.223 0.043 0.000 2.509 408 L HA 0.242 4.582 4.340 -0.000 0.000 0.222 408 L C 1.056 177.980 176.870 0.091 0.000 1.123 408 L CA 0.407 55.312 54.840 0.107 0.000 0.856 408 L CB 0.269 42.427 42.059 0.166 0.000 0.985 408 L HN 0.489 nan 8.230 nan 0.000 0.456 409 G N 1.317 110.106 108.800 -0.017 0.000 2.273 409 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.280 409 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.280 409 G C 0.177 174.901 174.900 -0.293 0.000 1.047 409 G CA -0.264 44.760 45.100 -0.126 0.000 0.869 409 G HN 0.178 nan 8.290 nan 0.000 0.502 410 I N 0.694 121.130 120.570 -0.223 0.000 2.421 410 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 410 I C 0.929 176.766 176.117 -0.468 0.000 1.089 410 I CA 0.163 61.299 61.300 -0.274 0.000 1.354 410 I CB 0.170 38.141 38.000 -0.049 0.000 1.413 410 I HN 0.178 nan 8.210 nan 0.000 0.513 411 K N 3.743 123.527 120.400 -1.027 0.000 2.106 411 K HA 0.417 4.737 4.320 -0.000 0.000 0.246 411 K C 1.109 177.393 176.600 -0.528 0.000 0.987 411 K CA -0.523 55.149 56.287 -1.024 0.000 0.904 411 K CB 1.300 32.722 32.500 -1.795 0.000 1.071 411 K HN 0.602 nan 8.250 nan 0.000 0.453 412 T N -3.284 111.065 114.554 -0.342 0.000 3.037 412 T HA 0.086 4.436 4.350 -0.000 0.000 0.251 412 T C 0.541 175.197 174.700 -0.073 0.000 1.079 412 T CA -0.178 61.852 62.100 -0.117 0.000 1.067 412 T CB -0.119 68.698 68.868 -0.085 0.000 0.948 412 T HN 0.365 nan 8.240 nan 0.000 0.496 413 V N -1.682 118.109 119.914 -0.204 0.000 2.623 413 V HA 0.838 4.958 4.120 -0.000 0.000 0.304 413 V C -1.953 174.071 176.094 -0.116 0.000 1.054 413 V CA -1.667 60.600 62.300 -0.055 0.000 0.882 413 V CB 0.931 32.727 31.823 -0.045 0.000 1.002 413 V HN 0.353 nan 8.190 nan 0.000 0.424 414 W N 3.140 124.381 121.300 -0.098 0.000 2.950 414 W HA 0.776 5.435 4.660 -0.001 0.000 0.340 414 W C -2.928 173.584 176.519 -0.011 0.000 1.139 414 W CA -2.544 54.772 57.345 -0.049 0.000 1.188 414 W CB 1.621 31.064 29.460 -0.028 0.000 1.426 414 W HN 0.316 nan 8.180 nan 0.000 0.531 415 P HA 0.161 nan 4.420 nan 0.000 0.281 415 P C 0.819 178.247 177.300 0.214 0.000 1.252 415 P CA 0.195 63.405 63.100 0.184 0.000 0.778 415 P CB 1.086 32.876 31.700 0.151 0.000 0.895 416 T N 2.548 117.190 114.554 0.147 0.000 2.737 416 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 416 T C 1.648 176.429 174.700 0.135 0.000 1.040 416 T CA 1.544 63.722 62.100 0.129 0.000 1.142 416 T CB -0.334 68.581 68.868 0.079 0.000 0.861 416 T HN 0.441 nan 8.240 nan 0.000 0.456 417 R N 0.814 121.384 120.500 0.115 0.000 2.081 417 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 417 R C 2.587 178.957 176.300 0.117 0.000 1.131 417 R CA 1.413 57.570 56.100 0.095 0.000 0.960 417 R CB -0.171 30.177 30.300 0.081 0.000 0.856 417 R HN 0.559 nan 8.270 nan 0.000 0.436 418 E N -0.497 119.810 120.200 0.178 0.000 2.106 418 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 418 E C 1.672 178.414 176.600 0.237 0.000 0.984 418 E CA 1.039 57.583 56.400 0.240 0.000 0.806 418 E CB -0.170 29.729 29.700 0.333 0.000 0.750 418 E HN 0.347 nan 8.360 nan 0.000 0.458 419 Y N 2.177 122.478 120.300 0.001 0.000 2.181 419 Y HA -0.215 4.335 4.550 -0.000 0.000 0.288 419 Y C 2.356 178.146 175.900 -0.184 0.000 1.146 419 Y CA 1.812 59.643 58.100 -0.448 0.000 1.164 419 Y CB -0.491 37.542 38.460 -0.712 0.000 0.982 419 Y HN -0.094 nan 8.280 nan 0.000 0.515 420 T N 0.241 114.713 114.554 -0.137 0.000 2.746 420 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 420 T C 1.376 176.005 174.700 -0.119 0.000 1.039 420 T CA 1.644 63.645 62.100 -0.164 0.000 1.142 420 T CB -0.367 68.479 68.868 -0.038 0.000 0.866 420 T HN 0.355 nan 8.240 nan 0.000 0.444 421 D N 0.490 120.882 120.400 -0.013 0.000 2.144 421 D HA -0.041 4.599 4.640 -0.000 0.000 0.199 421 D C 1.672 178.005 176.300 0.055 0.000 0.984 421 D CA 0.617 54.641 54.000 0.040 0.000 0.834 421 D CB -0.470 40.385 40.800 0.091 0.000 0.955 421 D HN 0.356 nan 8.370 nan 0.000 0.465 422 F N 1.759 121.642 119.950 -0.112 0.000 2.171 422 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 422 F C 2.278 178.002 175.800 -0.127 0.000 1.090 422 F CA 1.327 59.274 58.000 -0.088 0.000 1.293 422 F CB 0.017 38.891 39.000 -0.210 0.000 1.013 422 F HN -0.213 nan 8.300 nan 0.000 0.486 423 R N 0.190 120.470 120.500 -0.367 0.000 2.081 423 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 423 R C 2.370 178.558 176.300 -0.186 0.000 1.131 423 R CA 1.598 57.469 56.100 -0.382 0.000 0.960 423 R CB -0.477 29.574 30.300 -0.415 0.000 0.856 423 R HN 0.367 nan 8.270 nan 0.000 0.436 424 E N -0.230 119.897 120.200 -0.122 0.000 2.031 424 E HA -0.224 4.125 4.350 -0.000 0.000 0.193 424 E C 1.633 178.200 176.600 -0.055 0.000 0.994 424 E CA 1.172 57.535 56.400 -0.063 0.000 0.800 424 E CB -0.164 29.521 29.700 -0.026 0.000 0.752 424 E HN 0.325 nan 8.360 nan 0.000 0.447 425 Y N -0.282 119.931 120.300 -0.145 0.000 2.556 425 Y HA -0.240 4.310 4.550 -0.000 0.000 0.290 425 Y C 1.764 177.563 175.900 -0.169 0.000 1.149 425 Y CA 1.271 59.290 58.100 -0.135 0.000 1.329 425 Y CB -0.093 38.305 38.460 -0.104 0.000 0.975 425 Y HN 0.084 nan 8.280 nan 0.000 0.561 426 F N -0.894 118.870 119.950 -0.310 0.000 2.243 426 F HA 0.001 4.528 4.527 -0.000 0.000 0.287 426 F C 1.958 177.622 175.800 -0.227 0.000 1.067 426 F CA 0.860 58.669 58.000 -0.319 0.000 1.304 426 F CB -0.214 38.504 39.000 -0.470 0.000 1.087 426 F HN -0.162 nan 8.300 nan 0.000 0.513 427 M N 0.285 119.854 119.600 -0.053 0.000 2.700 427 M HA -0.116 4.364 4.480 -0.000 0.000 0.249 427 M C 1.250 177.436 176.300 -0.191 0.000 1.082 427 M CA 1.006 56.242 55.300 -0.106 0.000 1.077 427 M CB -0.249 32.333 32.600 -0.030 0.000 1.477 427 M HN 0.263 nan 8.290 nan 0.000 0.529 428 E N 0.041 120.087 120.200 -0.257 0.000 2.501 428 E HA 0.048 4.397 4.350 -0.000 0.000 0.200 428 E C 0.806 177.191 176.600 -0.358 0.000 1.016 428 E CA 0.134 56.363 56.400 -0.285 0.000 0.921 428 E CB 0.710 30.233 29.700 -0.295 0.000 1.034 428 E HN 0.254 nan 8.360 nan 0.000 0.468 429 V N 0.105 119.786 119.914 -0.388 0.000 3.570 429 V HA 0.394 4.514 4.120 -0.000 0.000 0.257 429 V C 0.568 176.498 176.094 -0.273 0.000 1.272 429 V CA 0.848 62.945 62.300 -0.338 0.000 1.079 429 V CB 0.961 32.581 31.823 -0.339 0.000 0.829 429 V HN 0.322 nan 8.190 nan 0.000 0.454 430 A N 0.000 122.638 122.820 -0.303 0.000 2.254 430 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 430 A CA 0.000 51.897 52.037 -0.233 0.000 0.836 430 A CB 0.000 18.856 19.000 -0.240 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486