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 2j3z_1_A DATA FIRST_RESID 2 DATA SEQUENCE PIIKEPIDFI NKPESEAKKW GKEEEKRWFT KLNNLEEVAV NQLKNKEYKT DATA SEQUENCE KIDNFSTDIL FSSLTAIEIM KEDENRNLFD VERIREALLK NTLDRDAIGY DATA SEQUENCE VNFTPKELGI NFSIRDVELD RDISDETLDK VRQQIINQEY TKFSFISLGL DATA SEQUENCE NDNSINESVP VIVKTRVPTT FDYGVLNDKE TVSLLLNQGF SIIPESAIIT DATA SEQUENCE TIKGKDYILI EGSLSQELDF YNKGSEAWGA ENYGDYISKL SHEQLGALEG DATA SEQUENCE YLHSDYKAIN SYLRNNRVPN NDELNKKIEL ISSALSVKPI PQTLIAYRRV DATA SEQUENCE DGIPFDLPSD FSFDKKENGE IIADKQKLNE FIDKWTGKEI ENLSFSSTSL DATA SEQUENCE KSTPSSFSKS RFIFRLRLSE GAIGAFIYGF SGFQDEQEIL LNKNSTFKIF DATA SEQUENCE RITPITSIIN RVTKMTQVVI DAEGIQNKEI 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.304 177.300 0.006 0.000 1.155 2 P CA 0.000 63.109 63.100 0.015 0.000 0.800 2 P CB 0.000 31.712 31.700 0.021 0.000 0.726 3 I N 1.490 122.064 120.570 0.007 0.000 2.845 3 I HA -0.036 4.134 4.170 -0.000 0.000 0.296 3 I C 1.309 177.421 176.117 -0.008 0.000 1.216 3 I CA -0.078 61.222 61.300 0.001 0.000 1.438 3 I CB 0.019 38.022 38.000 0.005 0.000 1.342 3 I HN 0.258 nan 8.210 nan 0.000 0.577 4 I N 4.748 125.309 120.570 -0.014 0.000 2.529 4 I HA 0.372 4.542 4.170 -0.000 0.000 0.284 4 I C -0.354 175.745 176.117 -0.031 0.000 1.082 4 I CA -0.298 60.987 61.300 -0.026 0.000 1.406 4 I CB 0.633 38.616 38.000 -0.028 0.000 1.405 4 I HN 0.420 nan 8.210 nan 0.000 0.548 5 K N 5.050 125.423 120.400 -0.044 0.000 2.498 5 K HA 0.262 4.582 4.320 -0.000 0.000 0.254 5 K C -0.935 175.618 176.600 -0.078 0.000 0.933 5 K CA -0.639 55.617 56.287 -0.052 0.000 0.806 5 K CB 2.228 34.701 32.500 -0.044 0.000 1.301 5 K HN 0.903 nan 8.250 nan 0.000 0.432 6 E N 2.626 122.772 120.200 -0.090 0.000 2.415 6 E HA 0.137 4.487 4.350 -0.000 0.000 0.262 6 E C -2.086 174.417 176.600 -0.161 0.000 1.038 6 E CA -1.274 55.053 56.400 -0.121 0.000 0.921 6 E CB 0.075 29.700 29.700 -0.125 0.000 0.950 6 E HN 0.061 nan 8.360 nan 0.000 0.438 7 P HA 0.019 nan 4.420 nan 0.000 0.270 7 P C -0.496 176.612 177.300 -0.321 0.000 1.223 7 P CA -0.011 62.952 63.100 -0.229 0.000 0.785 7 P CB 0.356 31.923 31.700 -0.223 0.000 0.923 8 I N 2.174 122.522 120.570 -0.370 0.000 2.664 8 I HA 0.027 4.197 4.170 -0.000 0.000 0.284 8 I C 0.579 176.347 176.117 -0.582 0.000 1.154 8 I CA 1.161 62.112 61.300 -0.582 0.000 1.402 8 I CB -0.282 37.375 38.000 -0.571 0.000 1.395 8 I HN 0.247 nan 8.210 nan 0.000 0.545 9 D N 6.550 126.492 120.400 -0.763 0.000 2.613 9 D HA 0.251 4.890 4.640 -0.000 0.000 0.230 9 D C -0.418 175.489 176.300 -0.654 0.000 1.365 9 D CA -0.377 53.288 54.000 -0.558 0.000 0.976 9 D CB 0.796 41.377 40.800 -0.365 0.000 1.415 9 D HN 0.301 nan 8.370 nan 0.000 0.589 10 F N 2.505 122.309 119.950 -0.244 0.000 2.682 10 F HA 0.327 4.853 4.527 -0.000 0.000 0.308 10 F C 1.975 177.703 175.800 -0.120 0.000 1.093 10 F CA -0.331 57.560 58.000 -0.182 0.000 1.244 10 F CB 0.414 39.302 39.000 -0.187 0.000 1.052 10 F HN 0.310 nan 8.300 nan 0.000 0.573 11 I N 0.360 120.927 120.570 -0.005 0.000 2.179 11 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 11 I C 1.013 177.146 176.117 0.028 0.000 1.088 11 I CA 1.387 62.691 61.300 0.006 0.000 1.357 11 I CB -0.173 37.787 38.000 -0.067 0.000 1.051 11 I HN 0.092 nan 8.210 nan 0.000 0.409 12 N N 2.048 120.745 118.700 -0.006 0.000 2.714 12 N HA 0.222 4.962 4.740 -0.000 0.000 0.298 12 N C -0.666 174.851 175.510 0.012 0.000 1.298 12 N CA 0.163 53.214 53.050 0.002 0.000 1.007 12 N CB 0.528 39.006 38.487 -0.016 0.000 1.318 12 N HN 0.341 nan 8.380 nan 0.000 0.516 13 K N 0.594 121.024 120.400 0.050 0.000 2.477 13 K HA 0.480 4.800 4.320 -0.000 0.000 0.255 13 K C -2.664 173.985 176.600 0.082 0.000 0.952 13 K CA -1.674 54.661 56.287 0.080 0.000 0.826 13 K CB 1.994 34.581 32.500 0.145 0.000 1.331 13 K HN -0.117 nan 8.250 nan 0.000 0.437 14 P HA -0.048 nan 4.420 nan 0.000 0.266 14 P C -0.123 177.192 177.300 0.024 0.000 1.193 14 P CA 0.252 63.375 63.100 0.040 0.000 0.770 14 P CB 0.520 32.241 31.700 0.034 0.000 0.836 15 E N 0.846 121.049 120.200 0.005 0.000 2.118 15 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 15 E C 1.795 178.363 176.600 -0.054 0.000 0.992 15 E CA 1.746 58.130 56.400 -0.026 0.000 0.804 15 E CB -0.307 29.385 29.700 -0.012 0.000 0.741 15 E HN 0.558 nan 8.360 nan 0.000 0.458 16 S N 0.891 116.576 115.700 -0.025 0.000 2.402 16 S HA -0.180 4.289 4.470 -0.000 0.000 0.229 16 S C 1.826 176.408 174.600 -0.030 0.000 1.021 16 S CA 0.939 59.127 58.200 -0.021 0.000 0.974 16 S CB -0.132 63.069 63.200 0.000 0.000 0.800 16 S HN 0.233 nan 8.310 nan 0.000 0.484 17 E N 1.732 121.919 120.200 -0.022 0.000 2.047 17 E HA -0.018 4.331 4.350 -0.000 0.000 0.191 17 E C 2.527 178.994 176.600 -0.221 0.000 0.987 17 E CA 0.984 57.388 56.400 0.007 0.000 0.799 17 E CB -0.451 29.328 29.700 0.132 0.000 0.752 17 E HN 0.682 nan 8.360 nan 0.000 0.449 18 A N 1.937 124.425 122.820 -0.553 0.000 1.883 18 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 18 A C 2.013 179.373 177.584 -0.373 0.000 1.186 18 A CA 1.421 52.858 52.037 -0.999 0.000 0.624 18 A CB -0.328 18.244 19.000 -0.713 0.000 0.822 18 A HN 0.004 nan 8.150 nan 0.000 0.444 19 K N -0.265 120.025 120.400 -0.184 0.000 2.063 19 K HA -0.187 4.132 4.320 -0.000 0.000 0.208 19 K C 2.109 178.687 176.600 -0.037 0.000 1.048 19 K CA 1.837 58.077 56.287 -0.077 0.000 0.928 19 K CB -0.318 32.151 32.500 -0.050 0.000 0.713 19 K HN 0.598 nan 8.250 nan 0.000 0.442 20 K N -0.308 120.083 120.400 -0.015 0.000 2.025 20 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 20 K C 2.051 178.690 176.600 0.065 0.000 1.049 20 K CA 1.409 57.711 56.287 0.025 0.000 0.933 20 K CB -0.294 32.236 32.500 0.050 0.000 0.714 20 K HN 0.155 nan 8.250 nan 0.000 0.438 21 W N 0.908 122.156 121.300 -0.086 0.000 2.338 21 W HA -0.108 4.552 4.660 -0.001 0.000 0.304 21 W C 1.822 178.319 176.519 -0.036 0.000 1.212 21 W CA 2.251 59.584 57.345 -0.019 0.000 1.264 21 W CB -0.649 28.839 29.460 0.046 0.000 1.142 21 W HN 0.214 nan 8.180 nan 0.000 0.512 22 G N 0.113 108.996 108.800 0.138 0.000 2.422 22 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.218 22 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.218 22 G C 1.511 176.336 174.900 -0.124 0.000 1.146 22 G CA 1.189 46.308 45.100 0.031 0.000 0.769 22 G HN 0.316 nan 8.290 nan 0.000 0.547 23 K N 0.138 120.475 120.400 -0.106 0.000 2.001 23 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 23 K C 2.382 178.884 176.600 -0.164 0.000 1.048 23 K CA 1.482 57.694 56.287 -0.125 0.000 0.932 23 K CB -0.140 32.312 32.500 -0.079 0.000 0.715 23 K HN 0.184 nan 8.250 nan 0.000 0.437 24 E N 1.134 121.234 120.200 -0.168 0.000 2.058 24 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 24 E C 1.854 178.312 176.600 -0.237 0.000 0.997 24 E CA 1.630 57.923 56.400 -0.179 0.000 0.801 24 E CB -0.033 29.568 29.700 -0.165 0.000 0.746 24 E HN 0.269 nan 8.360 nan 0.000 0.450 25 E N 0.326 120.295 120.200 -0.385 0.000 2.077 25 E HA -0.209 4.140 4.350 -0.000 0.000 0.193 25 E C 2.074 178.543 176.600 -0.218 0.000 0.989 25 E CA 1.163 57.318 56.400 -0.408 0.000 0.800 25 E CB -0.302 28.922 29.700 -0.793 0.000 0.746 25 E HN 0.520 nan 8.360 nan 0.000 0.452 26 E N 1.241 121.299 120.200 -0.237 0.000 2.077 26 E HA -0.218 4.131 4.350 -0.000 0.000 0.193 26 E C 2.154 178.537 176.600 -0.361 0.000 0.989 26 E CA 1.251 57.467 56.400 -0.308 0.000 0.800 26 E CB 0.019 29.424 29.700 -0.492 0.000 0.746 26 E HN 0.060 nan 8.360 nan 0.000 0.452 27 K N 0.714 120.960 120.400 -0.256 0.000 2.063 27 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 27 K C 2.405 179.000 176.600 -0.008 0.000 1.048 27 K CA 1.582 57.792 56.287 -0.128 0.000 0.928 27 K CB -0.160 32.283 32.500 -0.096 0.000 0.713 27 K HN -0.013 nan 8.250 nan 0.000 0.442 28 R N -0.506 119.984 120.500 -0.017 0.000 2.073 28 R HA -0.186 4.153 4.340 -0.000 0.000 0.234 28 R C 2.173 178.561 176.300 0.145 0.000 1.134 28 R CA 1.844 57.962 56.100 0.031 0.000 0.952 28 R CB -0.449 29.836 30.300 -0.026 0.000 0.850 28 R HN 0.413 nan 8.270 nan 0.000 0.433 29 W N 0.628 121.895 121.300 -0.056 0.000 2.378 29 W HA -0.146 4.513 4.660 -0.001 0.000 0.313 29 W C 1.598 178.220 176.519 0.172 0.000 1.197 29 W CA 0.971 58.325 57.345 0.015 0.000 1.304 29 W CB -0.804 28.657 29.460 0.003 0.000 1.148 29 W HN 0.046 nan 8.180 nan 0.000 0.494 30 F N 1.226 121.133 119.950 -0.071 0.000 2.250 30 F HA -0.210 4.317 4.527 -0.000 0.000 0.301 30 F C 2.664 178.371 175.800 -0.154 0.000 1.077 30 F CA 1.974 59.832 58.000 -0.236 0.000 1.348 30 F CB -1.606 37.295 39.000 -0.165 0.000 1.040 30 F HN -0.018 nan 8.300 nan 0.000 0.509 31 T N -2.919 111.702 114.554 0.113 0.000 2.985 31 T HA -0.104 4.245 4.350 -0.000 0.000 0.266 31 T C 1.771 176.480 174.700 0.015 0.000 1.076 31 T CA 0.695 62.822 62.100 0.044 0.000 1.135 31 T CB -0.319 68.575 68.868 0.043 0.000 0.890 31 T HN 0.201 nan 8.240 nan 0.000 0.480 32 K N 0.735 121.159 120.400 0.040 0.000 2.504 32 K HA 0.218 4.538 4.320 -0.000 0.000 0.195 32 K C 0.331 176.911 176.600 -0.033 0.000 1.036 32 K CA 0.283 56.592 56.287 0.037 0.000 0.984 32 K CB -0.205 32.372 32.500 0.128 0.000 0.788 32 K HN 0.428 nan 8.250 nan 0.000 0.488 33 L N 2.244 123.392 121.223 -0.126 0.000 2.343 33 L HA 0.166 4.506 4.340 -0.000 0.000 0.275 33 L C 0.185 176.951 176.870 -0.173 0.000 1.056 33 L CA -1.166 53.545 54.840 -0.215 0.000 0.804 33 L CB 0.922 42.715 42.059 -0.443 0.000 1.203 33 L HN 0.125 nan 8.230 nan 0.000 0.440 34 N N 0.565 119.173 118.700 -0.153 0.000 2.381 34 N HA -0.042 4.698 4.740 -0.000 0.000 0.254 34 N C 0.480 175.888 175.510 -0.169 0.000 1.264 34 N CA -0.399 52.573 53.050 -0.131 0.000 0.942 34 N CB 0.289 38.718 38.487 -0.097 0.000 1.190 34 N HN 0.597 nan 8.380 nan 0.000 0.495 35 N N -0.272 118.345 118.700 -0.137 0.000 2.104 35 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 35 N C 1.108 176.516 175.510 -0.169 0.000 1.024 35 N CA 1.173 54.133 53.050 -0.149 0.000 0.853 35 N CB -0.187 38.236 38.487 -0.106 0.000 1.008 35 N HN 0.516 nan 8.380 nan 0.000 0.424 36 L N 0.972 122.112 121.223 -0.137 0.000 2.156 36 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 36 L C 1.920 178.696 176.870 -0.156 0.000 1.095 36 L CA 1.443 56.210 54.840 -0.121 0.000 0.770 36 L CB -0.998 41.016 42.059 -0.075 0.000 0.914 36 L HN 0.318 nan 8.230 nan 0.000 0.439 37 E N -0.870 119.215 120.200 -0.192 0.000 2.107 37 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 37 E C 1.935 178.298 176.600 -0.395 0.000 0.982 37 E CA 0.965 57.218 56.400 -0.244 0.000 0.809 37 E CB 0.049 29.610 29.700 -0.233 0.000 0.756 37 E HN 0.507 nan 8.360 nan 0.000 0.459 38 E N 0.757 120.682 120.200 -0.457 0.000 2.072 38 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 38 E C 2.137 178.402 176.600 -0.558 0.000 0.985 38 E CA 0.876 56.861 56.400 -0.692 0.000 0.801 38 E CB 0.072 29.387 29.700 -0.641 0.000 0.750 38 E HN 0.086 nan 8.360 nan 0.000 0.452 39 V N 0.635 120.336 119.914 -0.356 0.000 2.343 39 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 39 V C 2.229 178.149 176.094 -0.290 0.000 1.051 39 V CA 2.091 64.219 62.300 -0.286 0.000 1.036 39 V CB -0.443 31.257 31.823 -0.206 0.000 0.654 39 V HN 0.479 nan 8.190 nan 0.000 0.451 40 A N -0.585 122.101 122.820 -0.223 0.000 1.883 40 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 40 A C 2.352 179.873 177.584 -0.106 0.000 1.186 40 A CA 2.393 54.364 52.037 -0.109 0.000 0.624 40 A CB -0.905 18.078 19.000 -0.029 0.000 0.822 40 A HN 0.429 nan 8.150 nan 0.000 0.444 41 V N 0.609 120.385 119.914 -0.230 0.000 2.261 41 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 41 V C 2.439 178.458 176.094 -0.125 0.000 1.047 41 V CA 2.405 64.572 62.300 -0.221 0.000 1.015 41 V CB -1.101 30.407 31.823 -0.525 0.000 0.642 41 V HN 0.730 nan 8.190 nan 0.000 0.446 42 N N -0.020 118.536 118.700 -0.239 0.000 2.166 42 N HA -0.205 4.535 4.740 -0.000 0.000 0.186 42 N C 1.881 177.353 175.510 -0.063 0.000 1.019 42 N CA 1.362 54.386 53.050 -0.044 0.000 0.856 42 N CB -0.202 38.235 38.487 -0.084 0.000 0.993 42 N HN 0.528 nan 8.380 nan 0.000 0.426 43 Q N -0.467 119.194 119.800 -0.231 0.000 2.439 43 Q HA -0.010 4.329 4.340 -0.000 0.000 0.211 43 Q C 1.404 177.342 176.000 -0.104 0.000 0.978 43 Q CA 0.442 56.014 55.803 -0.385 0.000 0.897 43 Q CB 0.001 28.091 28.738 -1.079 0.000 0.956 43 Q HN 0.495 nan 8.270 nan 0.000 0.483 44 L N 0.046 121.334 121.223 0.109 0.000 2.551 44 L HA -0.125 4.215 4.340 -0.000 0.000 0.228 44 L C 1.656 178.630 176.870 0.172 0.000 1.153 44 L CA 0.765 55.758 54.840 0.256 0.000 0.851 44 L CB -0.109 42.076 42.059 0.209 0.000 0.959 44 L HN 0.084 nan 8.230 nan 0.000 0.451 45 K N -0.199 120.272 120.400 0.117 0.000 2.432 45 K HA -0.039 4.280 4.320 -0.000 0.000 0.196 45 K C 0.792 177.443 176.600 0.085 0.000 1.038 45 K CA 0.070 56.416 56.287 0.098 0.000 0.986 45 K CB -0.068 32.479 32.500 0.079 0.000 0.782 45 K HN 0.175 nan 8.250 nan 0.000 0.485 46 N N 1.587 120.343 118.700 0.094 0.000 2.422 46 N HA 0.022 4.762 4.740 -0.000 0.000 0.266 46 N C 0.160 175.752 175.510 0.138 0.000 1.007 46 N CA 0.153 53.260 53.050 0.095 0.000 0.941 46 N CB 1.425 39.951 38.487 0.066 0.000 1.115 46 N HN -0.093 nan 8.380 nan 0.000 0.492 47 K N 2.760 123.221 120.400 0.101 0.000 2.148 47 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 47 K C 0.976 177.631 176.600 0.092 0.000 1.050 47 K CA 1.487 57.830 56.287 0.094 0.000 0.942 47 K CB 0.337 32.879 32.500 0.070 0.000 0.724 47 K HN 0.564 nan 8.250 nan 0.000 0.446 48 E N -0.614 119.641 120.200 0.093 0.000 2.047 48 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 48 E C 1.688 178.345 176.600 0.096 0.000 0.987 48 E CA 1.352 57.800 56.400 0.080 0.000 0.799 48 E CB -0.354 29.389 29.700 0.072 0.000 0.752 48 E HN 0.337 nan 8.360 nan 0.000 0.449 49 Y N 1.844 122.156 120.300 0.019 0.000 2.097 49 Y HA -0.294 4.256 4.550 -0.001 0.000 0.282 49 Y C 2.316 178.239 175.900 0.039 0.000 1.152 49 Y CA 2.075 60.185 58.100 0.017 0.000 1.136 49 Y CB 0.034 38.498 38.460 0.006 0.000 0.975 49 Y HN -0.116 nan 8.280 nan 0.000 0.498 50 K N -0.743 119.740 120.400 0.140 0.000 2.032 50 K HA -0.193 4.126 4.320 -0.000 0.000 0.209 50 K C 1.962 178.574 176.600 0.020 0.000 1.048 50 K CA 2.110 58.445 56.287 0.081 0.000 0.927 50 K CB -0.376 32.207 32.500 0.138 0.000 0.712 50 K HN 0.332 nan 8.250 nan 0.000 0.441 51 T N 1.252 115.823 114.554 0.028 0.000 2.652 51 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 51 T C 1.740 176.439 174.700 -0.001 0.000 1.039 51 T CA 1.811 63.924 62.100 0.023 0.000 1.153 51 T CB -0.206 68.679 68.868 0.028 0.000 0.863 51 T HN 0.366 nan 8.240 nan 0.000 0.428 52 K N 0.523 120.896 120.400 -0.045 0.000 2.020 52 K HA -0.137 4.182 4.320 -0.000 0.000 0.212 52 K C 2.186 178.746 176.600 -0.066 0.000 1.050 52 K CA 1.475 57.721 56.287 -0.070 0.000 0.929 52 K CB -0.244 32.175 32.500 -0.134 0.000 0.714 52 K HN 0.172 nan 8.250 nan 0.000 0.443 53 I N 2.160 122.617 120.570 -0.187 0.000 2.252 53 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 53 I C 1.909 178.095 176.117 0.115 0.000 1.102 53 I CA 1.418 62.660 61.300 -0.097 0.000 1.385 53 I CB -1.193 36.644 38.000 -0.272 0.000 1.064 53 I HN 0.291 nan 8.210 nan 0.000 0.414 54 D N 0.813 121.277 120.400 0.106 0.000 2.104 54 D HA -0.175 4.464 4.640 -0.000 0.000 0.194 54 D C 1.921 178.270 176.300 0.083 0.000 0.994 54 D CA 1.249 55.325 54.000 0.127 0.000 0.830 54 D CB -0.400 40.464 40.800 0.106 0.000 0.959 54 D HN 0.460 nan 8.370 nan 0.000 0.452 55 N N -0.315 118.427 118.700 0.071 0.000 2.025 55 N HA -0.177 4.563 4.740 -0.000 0.000 0.194 55 N C 1.864 177.419 175.510 0.075 0.000 1.044 55 N CA 0.726 53.812 53.050 0.060 0.000 0.851 55 N CB -0.293 38.224 38.487 0.051 0.000 1.036 55 N HN 0.063 nan 8.380 nan 0.000 0.422 56 F N 1.906 121.830 119.950 -0.042 0.000 2.126 56 F HA -0.230 4.296 4.527 -0.001 0.000 0.299 56 F C 2.762 178.529 175.800 -0.055 0.000 1.096 56 F CA 1.552 59.524 58.000 -0.047 0.000 1.255 56 F CB -0.259 38.712 39.000 -0.048 0.000 0.997 56 F HN 0.042 nan 8.300 nan 0.000 0.479 57 S N -1.581 114.156 115.700 0.061 0.000 2.469 57 S HA -0.154 4.316 4.470 -0.000 0.000 0.238 57 S C 1.734 176.202 174.600 -0.219 0.000 0.998 57 S CA 1.532 59.670 58.200 -0.104 0.000 0.957 57 S CB -0.860 62.256 63.200 -0.141 0.000 0.764 57 S HN 0.421 nan 8.310 nan 0.000 0.514 58 T N 2.142 116.616 114.554 -0.133 0.000 2.814 58 T HA -0.004 4.346 4.350 -0.000 0.000 0.254 58 T C 1.342 175.949 174.700 -0.155 0.000 1.037 58 T CA 1.131 63.168 62.100 -0.105 0.000 1.143 58 T CB -0.596 68.283 68.868 0.018 0.000 0.866 58 T HN 0.390 nan 8.240 nan 0.000 0.431 59 D N 1.985 122.268 120.400 -0.195 0.000 2.172 59 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 59 D C 2.029 178.134 176.300 -0.326 0.000 0.999 59 D CA 1.050 54.907 54.000 -0.238 0.000 0.856 59 D CB -0.440 40.160 40.800 -0.334 0.000 0.934 59 D HN 0.571 nan 8.370 nan 0.000 0.453 60 I N -2.167 118.111 120.570 -0.485 0.000 3.111 60 I HA -0.037 4.133 4.170 -0.000 0.000 0.272 60 I C 1.857 177.731 176.117 -0.407 0.000 1.268 60 I CA 0.513 61.541 61.300 -0.453 0.000 1.467 60 I CB -0.336 37.380 38.000 -0.473 0.000 1.087 60 I HN -0.103 nan 8.210 nan 0.000 0.467 61 L N 0.138 121.030 121.223 -0.551 0.000 2.395 61 L HA 0.072 4.412 4.340 -0.000 0.000 0.218 61 L C 0.732 176.964 176.870 -1.064 0.000 1.130 61 L CA 1.012 55.331 54.840 -0.868 0.000 0.826 61 L CB -0.283 40.997 42.059 -1.299 0.000 0.941 61 L HN 0.232 nan 8.230 nan 0.000 0.451 62 F N -0.959 118.829 119.950 -0.271 0.000 2.881 62 F HA 0.284 4.810 4.527 -0.001 0.000 0.343 62 F C 0.446 176.125 175.800 -0.202 0.000 1.233 62 F CA -0.380 57.473 58.000 -0.244 0.000 1.262 62 F CB 0.350 39.191 39.000 -0.264 0.000 0.980 62 F HN -0.218 nan 8.300 nan 0.000 0.506 63 S N -0.153 115.479 115.700 -0.114 0.000 2.532 63 S HA 0.468 4.938 4.470 -0.000 0.000 0.301 63 S C 0.024 174.570 174.600 -0.090 0.000 1.083 63 S CA -0.967 57.175 58.200 -0.097 0.000 1.025 63 S CB 1.617 64.735 63.200 -0.136 0.000 1.056 63 S HN 0.313 nan 8.310 nan 0.000 0.494 64 S N 2.057 117.725 115.700 -0.054 0.000 2.566 64 S HA 0.086 4.556 4.470 -0.000 0.000 0.280 64 S C 1.134 175.706 174.600 -0.046 0.000 1.343 64 S CA -0.537 57.638 58.200 -0.041 0.000 1.036 64 S CB 0.026 63.211 63.200 -0.025 0.000 0.866 64 S HN 0.460 nan 8.310 nan 0.000 0.526 65 L N 2.473 123.676 121.223 -0.034 0.000 2.127 65 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 65 L C 2.764 179.625 176.870 -0.015 0.000 1.089 65 L CA 1.876 56.702 54.840 -0.024 0.000 0.757 65 L CB -2.184 39.869 42.059 -0.010 0.000 0.899 65 L HN 0.955 nan 8.230 nan 0.000 0.434 66 T N -0.621 113.924 114.554 -0.016 0.000 2.737 66 T HA -0.147 4.202 4.350 -0.000 0.000 0.265 66 T C 1.960 176.653 174.700 -0.012 0.000 1.038 66 T CA 1.289 63.381 62.100 -0.013 0.000 1.144 66 T CB -0.243 68.613 68.868 -0.019 0.000 0.866 66 T HN 0.431 nan 8.240 nan 0.000 0.434 67 A N 1.561 124.368 122.820 -0.020 0.000 1.933 67 A HA -0.048 4.271 4.320 -0.000 0.000 0.218 67 A C 2.183 179.761 177.584 -0.011 0.000 1.175 67 A CA 1.056 53.081 52.037 -0.020 0.000 0.628 67 A CB -0.629 18.350 19.000 -0.036 0.000 0.814 67 A HN 0.375 nan 8.150 nan 0.000 0.444 68 I N 0.256 120.816 120.570 -0.017 0.000 2.179 68 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 68 I C 2.382 178.520 176.117 0.034 0.000 1.088 68 I CA 1.361 62.662 61.300 0.002 0.000 1.357 68 I CB -1.553 36.441 38.000 -0.011 0.000 1.051 68 I HN 0.321 nan 8.210 nan 0.000 0.409 69 E N 0.661 120.876 120.200 0.025 0.000 2.077 69 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 69 E C 2.391 179.012 176.600 0.035 0.000 0.989 69 E CA 0.928 57.350 56.400 0.036 0.000 0.800 69 E CB -0.327 29.387 29.700 0.023 0.000 0.746 69 E HN 0.482 nan 8.360 nan 0.000 0.452 70 I N 0.672 121.254 120.570 0.020 0.000 2.163 70 I HA -0.314 3.855 4.170 -0.000 0.000 0.243 70 I C 2.592 178.719 176.117 0.017 0.000 1.085 70 I CA 1.197 62.504 61.300 0.013 0.000 1.347 70 I CB -0.200 37.802 38.000 0.002 0.000 1.044 70 I HN 0.106 nan 8.210 nan 0.000 0.408 71 M N -0.189 119.428 119.600 0.028 0.000 2.117 71 M HA -0.226 4.254 4.480 -0.000 0.000 0.262 71 M C 2.277 178.593 176.300 0.026 0.000 1.065 71 M CA 1.760 57.078 55.300 0.029 0.000 1.114 71 M CB -0.371 32.277 32.600 0.080 0.000 1.361 71 M HN 0.116 nan 8.290 nan 0.000 0.408 72 K N 0.214 120.683 120.400 0.114 0.000 2.032 72 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 72 K C 1.829 178.523 176.600 0.156 0.000 1.048 72 K CA 1.503 57.931 56.287 0.235 0.000 0.927 72 K CB -0.247 32.377 32.500 0.207 0.000 0.712 72 K HN 0.421 nan 8.250 nan 0.000 0.441 73 E N 0.837 121.085 120.200 0.081 0.000 2.058 73 E HA -0.209 4.140 4.350 -0.000 0.000 0.194 73 E C 1.750 178.357 176.600 0.012 0.000 0.997 73 E CA 1.133 57.563 56.400 0.050 0.000 0.801 73 E CB -0.080 29.637 29.700 0.028 0.000 0.746 73 E HN 0.227 nan 8.360 nan 0.000 0.450 74 D N 0.260 120.643 120.400 -0.027 0.000 2.350 74 D HA -0.105 4.534 4.640 -0.000 0.000 0.216 74 D C -0.281 175.918 176.300 -0.167 0.000 0.968 74 D CA 0.557 54.513 54.000 -0.074 0.000 0.894 74 D CB 0.049 40.807 40.800 -0.070 0.000 0.909 74 D HN 0.173 nan 8.370 nan 0.000 0.520 75 E N 0.143 120.186 120.200 -0.263 0.000 2.358 75 E HA -0.204 4.145 4.350 -0.000 0.000 0.246 75 E C -0.138 175.923 176.600 -0.898 0.000 1.127 75 E CA 0.015 56.022 56.400 -0.656 0.000 0.726 75 E CB -1.909 27.636 29.700 -0.258 0.000 1.272 75 E HN 0.253 nan 8.360 nan 0.000 0.390 76 N N 1.125 119.390 118.700 -0.725 0.000 2.434 76 N HA -0.012 4.728 4.740 -0.000 0.000 0.268 76 N C 1.044 176.225 175.510 -0.549 0.000 1.256 76 N CA 0.406 53.181 53.050 -0.458 0.000 0.914 76 N CB 0.849 39.232 38.487 -0.172 0.000 1.088 76 N HN 0.166 nan 8.380 nan 0.000 0.478 77 R N 4.135 124.401 120.500 -0.391 0.000 2.115 77 R HA 0.002 4.341 4.340 -0.000 0.000 0.230 77 R C 1.071 177.264 176.300 -0.179 0.000 1.111 77 R CA 1.375 57.332 56.100 -0.237 0.000 0.976 77 R CB -0.198 30.011 30.300 -0.151 0.000 0.870 77 R HN 0.605 nan 8.270 nan 0.000 0.445 78 N N 0.204 118.665 118.700 -0.397 0.000 2.142 78 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 78 N C 1.525 176.865 175.510 -0.283 0.000 1.023 78 N CA 1.233 53.905 53.050 -0.629 0.000 0.852 78 N CB -0.396 37.083 38.487 -1.681 0.000 0.998 78 N HN 0.194 nan 8.380 nan 0.000 0.424 79 L N 0.268 121.485 121.223 -0.010 0.000 2.046 79 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 79 L C 1.818 178.947 176.870 0.432 0.000 1.077 79 L CA 1.453 56.576 54.840 0.471 0.000 0.747 79 L CB -0.717 41.617 42.059 0.458 0.000 0.896 79 L HN -0.087 nan 8.230 nan 0.000 0.432 80 F N 0.552 120.535 119.950 0.055 0.000 2.095 80 F HA -0.205 4.322 4.527 0.000 0.000 0.298 80 F C 2.457 178.284 175.800 0.044 0.000 1.104 80 F CA 1.390 59.413 58.000 0.038 0.000 1.232 80 F CB -1.310 37.694 39.000 0.007 0.000 0.987 80 F HN 0.214 nan 8.300 nan 0.000 0.475 81 D N 0.024 120.566 120.400 0.236 0.000 2.104 81 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 81 D C 2.590 178.995 176.300 0.175 0.000 0.994 81 D CA 1.165 55.262 54.000 0.163 0.000 0.830 81 D CB -0.676 40.220 40.800 0.159 0.000 0.959 81 D HN 0.074 nan 8.370 nan 0.000 0.452 82 V N 1.311 121.367 119.914 0.237 0.000 2.287 82 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 82 V C 2.308 178.589 176.094 0.311 0.000 1.053 82 V CA 1.822 64.331 62.300 0.348 0.000 1.027 82 V CB -0.461 31.589 31.823 0.378 0.000 0.646 82 V HN 0.234 nan 8.190 nan 0.000 0.447 83 E N -0.317 120.013 120.200 0.218 0.000 2.077 83 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 83 E C 2.457 179.109 176.600 0.086 0.000 0.989 83 E CA 1.147 57.627 56.400 0.133 0.000 0.800 83 E CB -0.188 29.551 29.700 0.065 0.000 0.746 83 E HN 0.562 nan 8.360 nan 0.000 0.452 84 R N 0.381 120.916 120.500 0.058 0.000 2.096 84 R HA -0.088 4.251 4.340 -0.000 0.000 0.235 84 R C 2.387 178.693 176.300 0.009 0.000 1.127 84 R CA 1.015 57.119 56.100 0.006 0.000 0.968 84 R CB -0.305 29.981 30.300 -0.023 0.000 0.861 84 R HN 0.195 nan 8.270 nan 0.000 0.440 85 I N 0.581 121.165 120.570 0.025 0.000 2.179 85 I HA -0.274 3.895 4.170 -0.000 0.000 0.242 85 I C 2.408 178.557 176.117 0.053 0.000 1.088 85 I CA 1.408 62.668 61.300 -0.067 0.000 1.357 85 I CB -0.259 37.527 38.000 -0.357 0.000 1.051 85 I HN 0.099 nan 8.210 nan 0.000 0.409 86 R N 0.641 121.276 120.500 0.225 0.000 2.091 86 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 86 R C 2.217 178.626 176.300 0.180 0.000 1.136 86 R CA 1.684 57.957 56.100 0.289 0.000 0.959 86 R CB -0.370 30.086 30.300 0.259 0.000 0.856 86 R HN 0.447 nan 8.270 nan 0.000 0.437 87 E N 0.197 120.469 120.200 0.120 0.000 2.106 87 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 87 E C 2.070 178.737 176.600 0.111 0.000 0.984 87 E CA 0.975 57.426 56.400 0.086 0.000 0.806 87 E CB -0.064 29.656 29.700 0.034 0.000 0.750 87 E HN 0.380 nan 8.360 nan 0.000 0.458 88 A N 1.104 123.992 122.820 0.113 0.000 1.908 88 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 88 A C 2.147 180.020 177.584 0.482 0.000 1.181 88 A CA 1.089 53.240 52.037 0.191 0.000 0.627 88 A CB -0.647 18.368 19.000 0.024 0.000 0.818 88 A HN 0.171 nan 8.150 nan 0.000 0.445 89 L N -1.005 120.445 121.223 0.379 0.000 2.191 89 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 89 L C 2.135 179.111 176.870 0.176 0.000 1.103 89 L CA 0.398 55.402 54.840 0.274 0.000 0.769 89 L CB -0.370 41.835 42.059 0.244 0.000 0.908 89 L HN 0.282 nan 8.230 nan 0.000 0.438 90 L N -0.246 121.082 121.223 0.176 0.000 2.362 90 L HA -0.142 4.198 4.340 -0.000 0.000 0.219 90 L C 2.042 178.983 176.870 0.117 0.000 1.134 90 L CA 1.546 56.463 54.840 0.129 0.000 0.807 90 L CB -0.673 41.450 42.059 0.107 0.000 0.927 90 L HN 0.165 nan 8.230 nan 0.000 0.447 91 K N -0.771 119.719 120.400 0.150 0.000 2.458 91 K HA 0.056 4.376 4.320 -0.000 0.000 0.194 91 K C -0.008 176.645 176.600 0.088 0.000 1.024 91 K CA 0.005 56.374 56.287 0.135 0.000 1.108 91 K CB 0.028 32.636 32.500 0.180 0.000 0.846 91 K HN 0.137 nan 8.250 nan 0.000 0.518 92 N N 0.746 119.454 118.700 0.012 0.000 2.478 92 N HA 0.101 4.840 4.740 -0.000 0.000 0.291 92 N C -1.717 173.818 175.510 0.042 0.000 1.090 92 N CA -0.359 52.611 53.050 -0.133 0.000 0.911 92 N CB 1.738 39.861 38.487 -0.607 0.000 1.546 92 N HN -0.006 nan 8.380 nan 0.000 0.500 93 T N 0.181 114.871 114.554 0.227 0.000 2.876 93 T HA 0.539 4.889 4.350 -0.000 0.000 0.289 93 T C -0.117 174.817 174.700 0.390 0.000 1.014 93 T CA -0.791 61.512 62.100 0.338 0.000 0.986 93 T CB 0.737 69.726 68.868 0.202 0.000 1.021 93 T HN 0.224 nan 8.240 nan 0.000 0.458 94 L N 2.347 123.694 121.223 0.206 0.000 2.456 94 L HA 0.217 4.557 4.340 -0.000 0.000 0.272 94 L C 0.973 177.845 176.870 0.003 0.000 1.189 94 L CA -0.144 54.637 54.840 -0.098 0.000 0.846 94 L CB 0.410 42.305 42.059 -0.273 0.000 1.111 94 L HN 0.819 nan 8.230 nan 0.000 0.475 95 D N 1.267 121.657 120.400 -0.016 0.000 2.367 95 D HA 0.079 4.718 4.640 -0.000 0.000 0.207 95 D C 0.065 176.348 176.300 -0.029 0.000 1.034 95 D CA 0.308 54.315 54.000 0.011 0.000 0.861 95 D CB 0.486 41.310 40.800 0.040 0.000 0.943 95 D HN 0.513 nan 8.370 nan 0.000 0.515 96 R N -1.125 119.327 120.500 -0.079 0.000 2.741 96 R HA 0.343 4.682 4.340 -0.000 0.000 0.276 96 R C -1.448 174.751 176.300 -0.168 0.000 1.028 96 R CA -0.844 55.191 56.100 -0.108 0.000 0.865 96 R CB 0.412 30.650 30.300 -0.102 0.000 1.268 96 R HN -0.326 nan 8.270 nan 0.000 0.475 97 D N 0.404 120.694 120.400 -0.184 0.000 2.378 97 D HA 0.420 5.060 4.640 -0.000 0.000 0.238 97 D C -0.465 175.685 176.300 -0.251 0.000 1.180 97 D CA 0.501 54.363 54.000 -0.230 0.000 0.895 97 D CB 1.095 41.769 40.800 -0.211 0.000 1.192 97 D HN 0.668 nan 8.370 nan 0.000 0.438 98 A N 1.511 124.170 122.820 -0.268 0.000 2.356 98 A HA 0.618 4.938 4.320 -0.000 0.000 0.310 98 A C -0.505 176.932 177.584 -0.246 0.000 1.075 98 A CA -0.661 51.217 52.037 -0.264 0.000 0.746 98 A CB 0.704 19.559 19.000 -0.240 0.000 1.221 98 A HN 0.489 nan 8.150 nan 0.000 0.443 99 I N 2.139 122.552 120.570 -0.262 0.000 2.412 99 I HA 0.705 4.875 4.170 -0.000 0.000 0.296 99 I C 0.831 176.771 176.117 -0.295 0.000 0.987 99 I CA 0.140 61.288 61.300 -0.255 0.000 1.180 99 I CB 2.059 39.911 38.000 -0.247 0.000 1.340 99 I HN 0.906 nan 8.210 nan 0.000 0.455 100 G N 4.438 113.040 108.800 -0.330 0.000 2.393 100 G HA2 0.326 4.286 3.960 -0.000 0.000 0.264 100 G HA3 0.326 4.286 3.960 -0.000 0.000 0.264 100 G C -2.138 172.491 174.900 -0.451 0.000 1.221 100 G CA -0.502 44.287 45.100 -0.518 0.000 0.912 100 G HN 0.264 nan 8.290 nan 0.000 0.483 101 Y N 0.814 121.129 120.300 0.025 0.000 2.328 101 Y HA 0.532 5.082 4.550 -0.000 0.000 0.333 101 Y C 0.686 176.641 175.900 0.092 0.000 0.958 101 Y CA -1.123 57.005 58.100 0.046 0.000 1.167 101 Y CB 1.600 40.078 38.460 0.032 0.000 1.151 101 Y HN 0.504 nan 8.280 nan 0.000 0.470 102 V N 0.569 120.645 119.914 0.271 0.000 2.649 102 V HA 0.259 4.379 4.120 -0.000 0.000 0.292 102 V C 0.485 176.770 176.094 0.319 0.000 1.055 102 V CA -0.943 61.537 62.300 0.299 0.000 1.023 102 V CB 1.224 33.288 31.823 0.401 0.000 0.992 102 V HN 0.859 nan 8.190 nan 0.000 0.480 103 N N 2.699 121.532 118.700 0.221 0.000 3.243 103 N HA 0.151 4.891 4.740 -0.000 0.000 0.310 103 N C -0.889 174.669 175.510 0.080 0.000 1.313 103 N CA -0.209 52.931 53.050 0.148 0.000 1.204 103 N CB -0.547 38.000 38.487 0.101 0.000 1.483 103 N HN 0.639 nan 8.380 nan 0.000 0.553 104 F N 0.909 120.900 119.950 0.068 0.000 2.396 104 F HA 0.247 4.774 4.527 -0.000 0.000 0.343 104 F C 1.575 177.380 175.800 0.009 0.000 1.104 104 F CA -0.434 57.585 58.000 0.033 0.000 1.161 104 F CB 1.056 40.065 39.000 0.015 0.000 1.146 104 F HN 0.076 nan 8.300 nan 0.000 0.522 105 T N 0.908 115.548 114.554 0.144 0.000 2.881 105 T HA 0.308 4.658 4.350 -0.000 0.000 0.278 105 T C -1.981 172.742 174.700 0.038 0.000 0.982 105 T CA -1.929 60.215 62.100 0.072 0.000 0.989 105 T CB 1.476 70.361 68.868 0.029 0.000 1.058 105 T HN 0.237 nan 8.240 nan 0.000 0.529 106 P HA -0.114 nan 4.420 nan 0.000 0.216 106 P C 1.364 178.596 177.300 -0.113 0.000 1.157 106 P CA 1.379 64.419 63.100 -0.101 0.000 0.880 106 P CB 0.032 31.650 31.700 -0.137 0.000 0.791 107 K N -0.328 120.031 120.400 -0.068 0.000 2.103 107 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 107 K C 1.949 178.534 176.600 -0.025 0.000 1.048 107 K CA 1.312 57.569 56.287 -0.050 0.000 0.930 107 K CB -0.314 32.172 32.500 -0.023 0.000 0.716 107 K HN 0.281 nan 8.250 nan 0.000 0.444 108 E N 0.296 120.502 120.200 0.009 0.000 2.418 108 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 108 E C 0.785 177.375 176.600 -0.016 0.000 1.026 108 E CA 0.495 56.941 56.400 0.076 0.000 0.862 108 E CB 0.146 29.932 29.700 0.142 0.000 0.799 108 E HN 0.262 nan 8.360 nan 0.000 0.518 109 L N -0.457 120.606 121.223 -0.266 0.000 2.818 109 L HA 0.297 4.637 4.340 -0.000 0.000 0.243 109 L C 1.012 177.532 176.870 -0.583 0.000 1.185 109 L CA -0.130 54.167 54.840 -0.905 0.000 0.988 109 L CB 0.406 42.084 42.059 -0.635 0.000 1.292 109 L HN 0.097 nan 8.230 nan 0.000 0.519 110 G N 1.289 109.990 108.800 -0.165 0.000 2.198 110 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 110 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 110 G C 0.057 174.944 174.900 -0.023 0.000 1.025 110 G CA 0.051 45.174 45.100 0.037 0.000 0.769 110 G HN 0.366 nan 8.290 nan 0.000 0.507 111 I N 0.531 121.003 120.570 -0.163 0.000 2.312 111 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 111 I C 0.714 176.624 176.117 -0.346 0.000 1.008 111 I CA -0.919 60.160 61.300 -0.367 0.000 1.226 111 I CB 1.175 38.863 38.000 -0.521 0.000 1.371 111 I HN 0.031 nan 8.210 nan 0.000 0.468 112 N N 5.436 123.955 118.700 -0.302 0.000 2.348 112 N HA 0.073 4.812 4.740 -0.000 0.000 0.183 112 N C 0.162 175.621 175.510 -0.086 0.000 1.094 112 N CA 0.166 53.140 53.050 -0.127 0.000 0.885 112 N CB 0.332 38.830 38.487 0.020 0.000 1.065 112 N HN 0.448 nan 8.380 nan 0.000 0.472 113 F N 1.628 121.588 119.950 0.016 0.000 2.406 113 F HA 0.470 4.997 4.527 -0.001 0.000 0.327 113 F C 0.719 176.522 175.800 0.005 0.000 1.153 113 F CA -1.359 56.647 58.000 0.010 0.000 1.218 113 F CB 0.048 39.053 39.000 0.009 0.000 1.215 113 F HN -0.302 nan 8.300 nan 0.000 0.570 114 S N 2.200 118.018 115.700 0.196 0.000 2.533 114 S HA 0.198 4.668 4.470 -0.000 0.000 0.282 114 S C 1.125 175.824 174.600 0.164 0.000 1.304 114 S CA -0.516 57.745 58.200 0.102 0.000 1.063 114 S CB 0.619 63.871 63.200 0.087 0.000 0.881 114 S HN 0.651 nan 8.310 nan 0.000 0.493 115 I N 1.708 122.308 120.570 0.051 0.000 2.296 115 I HA -0.010 4.159 4.170 -0.000 0.000 0.242 115 I C 1.446 177.593 176.117 0.050 0.000 1.087 115 I CA 0.893 62.237 61.300 0.074 0.000 1.393 115 I CB 0.066 38.063 38.000 -0.005 0.000 1.093 115 I HN 0.447 nan 8.210 nan 0.000 0.421 116 R N 2.018 122.518 120.500 0.000 0.000 2.528 116 R HA 0.098 4.437 4.340 -0.000 0.000 0.271 116 R C -0.392 175.908 176.300 -0.000 0.000 1.056 116 R CA -0.638 55.450 56.100 -0.020 0.000 1.117 116 R CB 0.326 30.585 30.300 -0.069 0.000 1.085 116 R HN 0.237 nan 8.270 nan 0.000 0.530 117 D N 1.143 121.539 120.400 -0.006 0.000 2.571 117 D HA -0.089 4.551 4.640 -0.000 0.000 0.231 117 D C 0.886 177.186 176.300 -0.001 0.000 1.133 117 D CA 0.046 54.046 54.000 0.000 0.000 0.862 117 D CB 0.913 41.710 40.800 -0.005 0.000 1.179 117 D HN 0.090 nan 8.370 nan 0.000 0.474 118 V N 2.650 122.569 119.914 0.007 0.000 2.295 118 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 118 V C 2.476 178.570 176.094 0.001 0.000 1.049 118 V CA 2.146 64.450 62.300 0.007 0.000 1.024 118 V CB -0.561 31.270 31.823 0.014 0.000 0.648 118 V HN 0.645 nan 8.190 nan 0.000 0.447 119 E N -0.103 120.098 120.200 0.000 0.000 2.015 119 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 119 E C 2.042 178.639 176.600 -0.006 0.000 0.991 119 E CA 1.054 57.453 56.400 -0.001 0.000 0.802 119 E CB -0.495 29.205 29.700 -0.000 0.000 0.759 119 E HN 0.365 nan 8.360 nan 0.000 0.447 120 L N 1.057 122.274 121.223 -0.010 0.000 2.529 120 L HA 0.054 4.394 4.340 -0.000 0.000 0.223 120 L C 0.123 176.978 176.870 -0.025 0.000 1.113 120 L CA 0.678 55.509 54.840 -0.014 0.000 0.861 120 L CB -1.329 40.722 42.059 -0.014 0.000 1.012 120 L HN 0.179 nan 8.230 nan 0.000 0.461 121 D N 0.273 120.656 120.400 -0.029 0.000 2.686 121 D HA -0.281 4.358 4.640 -0.000 0.000 0.235 121 D C 1.478 177.734 176.300 -0.074 0.000 1.160 121 D CA 0.925 54.897 54.000 -0.047 0.000 0.645 121 D CB -0.242 40.532 40.800 -0.043 0.000 1.039 121 D HN 0.429 nan 8.370 nan 0.000 0.423 122 R N -0.494 119.968 120.500 -0.065 0.000 2.437 122 R HA 0.106 4.445 4.340 -0.000 0.000 0.184 122 R C -0.485 175.771 176.300 -0.075 0.000 0.850 122 R CA 0.021 56.077 56.100 -0.074 0.000 1.073 122 R CB 0.585 30.860 30.300 -0.041 0.000 1.336 122 R HN 0.088 nan 8.270 nan 0.000 0.640 123 D N 1.021 121.393 120.400 -0.046 0.000 2.185 123 D HA 0.351 4.991 4.640 -0.000 0.000 0.247 123 D C -0.525 175.761 176.300 -0.023 0.000 1.027 123 D CA -0.241 53.740 54.000 -0.030 0.000 0.861 123 D CB 2.364 43.155 40.800 -0.014 0.000 1.202 123 D HN 0.181 nan 8.370 nan 0.000 0.453 124 I N 1.281 121.843 120.570 -0.012 0.000 2.389 124 I HA 0.131 4.301 4.170 -0.000 0.000 0.288 124 I C 0.770 176.896 176.117 0.014 0.000 0.999 124 I CA -0.662 60.642 61.300 0.007 0.000 1.129 124 I CB 1.592 39.599 38.000 0.011 0.000 1.288 124 I HN 0.253 nan 8.210 nan 0.000 0.444 125 S N 3.070 118.781 115.700 0.017 0.000 2.632 125 S HA 0.213 4.683 4.470 -0.000 0.000 0.267 125 S C 0.576 175.185 174.600 0.015 0.000 1.276 125 S CA -0.623 57.583 58.200 0.011 0.000 0.998 125 S CB 1.445 64.648 63.200 0.004 0.000 0.953 125 S HN 0.554 nan 8.310 nan 0.000 0.547 126 D N 0.795 121.200 120.400 0.008 0.000 2.117 126 D HA -0.085 4.554 4.640 -0.000 0.000 0.198 126 D C 1.761 178.063 176.300 0.003 0.000 0.982 126 D CA 1.332 55.337 54.000 0.009 0.000 0.828 126 D CB -0.403 40.400 40.800 0.005 0.000 0.967 126 D HN 0.785 nan 8.370 nan 0.000 0.464 127 E N 0.033 120.228 120.200 -0.009 0.000 2.086 127 E HA -0.170 4.179 4.350 -0.000 0.000 0.200 127 E C 1.925 178.505 176.600 -0.035 0.000 1.012 127 E CA 1.550 57.933 56.400 -0.028 0.000 0.812 127 E CB 0.067 29.742 29.700 -0.041 0.000 0.743 127 E HN 0.181 nan 8.360 nan 0.000 0.453 128 T N 1.272 115.819 114.554 -0.011 0.000 2.746 128 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 128 T C 1.761 176.510 174.700 0.082 0.000 1.039 128 T CA 0.924 63.044 62.100 0.033 0.000 1.142 128 T CB -0.239 68.685 68.868 0.093 0.000 0.866 128 T HN 0.055 nan 8.240 nan 0.000 0.444 129 L N 1.737 122.995 121.223 0.058 0.000 1.989 129 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 129 L C 2.131 179.035 176.870 0.057 0.000 1.071 129 L CA 2.070 56.948 54.840 0.063 0.000 0.749 129 L CB -0.923 41.162 42.059 0.043 0.000 0.890 129 L HN 0.187 nan 8.230 nan 0.000 0.431 130 D N -0.825 119.593 120.400 0.029 0.000 2.133 130 D HA -0.250 4.389 4.640 -0.000 0.000 0.195 130 D C 2.156 178.471 176.300 0.024 0.000 0.997 130 D CA 1.651 55.662 54.000 0.019 0.000 0.840 130 D CB -0.005 40.794 40.800 -0.002 0.000 0.947 130 D HN 0.316 nan 8.370 nan 0.000 0.452 131 K N -0.379 120.020 120.400 -0.001 0.000 2.097 131 K HA -0.119 4.200 4.320 -0.000 0.000 0.206 131 K C 2.191 178.886 176.600 0.157 0.000 1.049 131 K CA 1.238 57.513 56.287 -0.019 0.000 0.933 131 K CB -0.205 32.126 32.500 -0.282 0.000 0.717 131 K HN 0.214 nan 8.250 nan 0.000 0.442 132 V N 0.483 120.533 119.914 0.228 0.000 2.453 132 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 132 V C 1.940 178.122 176.094 0.147 0.000 1.048 132 V CA 1.242 63.691 62.300 0.249 0.000 1.049 132 V CB -0.307 31.636 31.823 0.201 0.000 0.672 132 V HN 0.221 nan 8.190 nan 0.000 0.457 133 R N -0.290 120.272 120.500 0.103 0.000 2.096 133 R HA -0.247 4.093 4.340 -0.000 0.000 0.240 133 R C 2.500 178.847 176.300 0.078 0.000 1.139 133 R CA 2.280 58.425 56.100 0.074 0.000 0.952 133 R CB -0.565 29.766 30.300 0.051 0.000 0.854 133 R HN 0.571 nan 8.270 nan 0.000 0.436 134 Q N 0.687 120.535 119.800 0.079 0.000 2.084 134 Q HA -0.160 4.179 4.340 -0.000 0.000 0.202 134 Q C 2.062 178.128 176.000 0.111 0.000 0.978 134 Q CA 1.622 57.470 55.803 0.075 0.000 0.844 134 Q CB 0.058 28.829 28.738 0.055 0.000 0.898 134 Q HN 0.314 nan 8.270 nan 0.000 0.426 135 Q N -0.593 119.303 119.800 0.161 0.000 2.083 135 Q HA -0.070 4.270 4.340 -0.000 0.000 0.198 135 Q C 2.090 178.234 176.000 0.241 0.000 0.969 135 Q CA 1.646 57.578 55.803 0.214 0.000 0.838 135 Q CB 0.098 28.993 28.738 0.262 0.000 0.900 135 Q HN 0.682 nan 8.270 nan 0.000 0.436 136 I N -2.845 117.845 120.570 0.200 0.000 3.708 136 I HA 0.131 4.301 4.170 -0.000 0.000 0.302 136 I C 0.502 176.722 176.117 0.172 0.000 1.255 136 I CA -0.191 61.266 61.300 0.262 0.000 1.362 136 I CB 0.396 38.482 38.000 0.144 0.000 1.100 136 I HN -0.173 nan 8.210 nan 0.000 0.434 137 I N 4.579 125.204 120.570 0.091 0.000 2.517 137 I HA 0.074 4.244 4.170 -0.000 0.000 0.285 137 I C 0.271 176.392 176.117 0.007 0.000 1.106 137 I CA 0.575 61.902 61.300 0.043 0.000 1.402 137 I CB -0.279 37.739 38.000 0.030 0.000 1.399 137 I HN 0.512 nan 8.210 nan 0.000 0.535 138 N N 2.826 121.518 118.700 -0.013 0.000 2.948 138 N HA -0.201 4.538 4.740 -0.000 0.000 0.239 138 N C 0.296 175.736 175.510 -0.116 0.000 0.954 138 N CA 0.815 53.833 53.050 -0.053 0.000 0.941 138 N CB -0.881 37.578 38.487 -0.047 0.000 1.101 138 N HN 0.707 nan 8.380 nan 0.000 0.579 139 Q N 1.478 121.196 119.800 -0.136 0.000 2.259 139 Q HA 0.466 4.805 4.340 -0.000 0.000 0.246 139 Q C -0.380 175.374 176.000 -0.410 0.000 0.920 139 Q CA -0.012 55.578 55.803 -0.355 0.000 0.895 139 Q CB 0.894 29.396 28.738 -0.394 0.000 1.220 139 Q HN 0.265 nan 8.270 nan 0.000 0.439 140 E N 2.448 122.316 120.200 -0.553 0.000 2.158 140 E HA 0.302 4.652 4.350 -0.000 0.000 0.271 140 E C -1.491 174.867 176.600 -0.404 0.000 0.911 140 E CA -0.558 55.643 56.400 -0.331 0.000 0.767 140 E CB 0.595 30.185 29.700 -0.184 0.000 1.120 140 E HN 0.594 nan 8.360 nan 0.000 0.405 141 Y N 2.138 122.481 120.300 0.071 0.000 2.328 141 Y HA 0.265 4.815 4.550 -0.001 0.000 0.333 141 Y C 0.104 176.130 175.900 0.210 0.000 0.958 141 Y CA -0.821 57.383 58.100 0.174 0.000 1.167 141 Y CB 2.128 40.669 38.460 0.134 0.000 1.151 141 Y HN 0.329 nan 8.280 nan 0.000 0.470 142 T N 3.981 118.679 114.554 0.240 0.000 2.832 142 T HA 0.151 4.501 4.350 -0.000 0.000 0.296 142 T C -0.051 174.572 174.700 -0.128 0.000 0.968 142 T CA -0.714 61.436 62.100 0.085 0.000 1.107 142 T CB 0.309 69.170 68.868 -0.011 0.000 0.916 142 T HN 0.394 nan 8.240 nan 0.000 0.517 143 K N 3.428 123.827 120.400 -0.000 0.000 2.250 143 K HA 0.226 4.545 4.320 -0.000 0.000 0.285 143 K C 0.294 176.771 176.600 -0.204 0.000 1.097 143 K CA -0.416 55.707 56.287 -0.274 0.000 0.913 143 K CB -0.037 32.209 32.500 -0.423 0.000 1.179 143 K HN 0.410 nan 8.250 nan 0.000 0.462 144 F N 0.913 120.870 119.950 0.012 0.000 2.126 144 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 144 F C 1.681 177.346 175.800 -0.224 0.000 1.096 144 F CA 0.573 58.532 58.000 -0.068 0.000 1.255 144 F CB -0.767 38.251 39.000 0.029 0.000 0.997 144 F HN 0.442 nan 8.300 nan 0.000 0.479 145 S N -0.145 115.552 115.700 -0.004 0.000 2.661 145 S HA 0.312 4.782 4.470 -0.000 0.000 0.265 145 S C 0.009 174.506 174.600 -0.172 0.000 1.225 145 S CA -0.977 57.144 58.200 -0.132 0.000 0.986 145 S CB -0.019 63.185 63.200 0.007 0.000 1.008 145 S HN 0.026 nan 8.310 nan 0.000 0.565 146 F N 0.165 120.132 119.950 0.028 0.000 2.657 146 F HA 0.223 4.749 4.527 -0.001 0.000 0.347 146 F C 0.717 176.562 175.800 0.075 0.000 1.180 146 F CA 0.121 58.162 58.000 0.068 0.000 1.383 146 F CB 0.168 39.229 39.000 0.101 0.000 1.077 146 F HN 0.446 nan 8.300 nan 0.000 0.622 147 I N 0.649 121.427 120.570 0.347 0.000 2.545 147 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 147 I C -0.735 175.534 176.117 0.253 0.000 1.040 147 I CA -0.241 61.207 61.300 0.247 0.000 1.068 147 I CB 1.477 39.656 38.000 0.299 0.000 1.251 147 I HN 0.418 nan 8.210 nan 0.000 0.424 148 S N 6.698 122.514 115.700 0.194 0.000 2.508 148 S HA 0.519 4.989 4.470 -0.000 0.000 0.284 148 S C -0.688 174.019 174.600 0.179 0.000 1.192 148 S CA -0.451 57.860 58.200 0.185 0.000 1.070 148 S CB 1.284 64.582 63.200 0.163 0.000 1.004 148 S HN 0.448 nan 8.310 nan 0.000 0.493 149 L N 4.154 125.475 121.223 0.164 0.000 2.301 149 L HA 0.594 4.934 4.340 -0.000 0.000 0.278 149 L C 0.432 177.375 176.870 0.123 0.000 1.022 149 L CA -0.090 54.827 54.840 0.128 0.000 0.854 149 L CB 0.486 42.591 42.059 0.076 0.000 1.226 149 L HN 0.695 nan 8.230 nan 0.000 0.429 150 G N 4.619 113.509 108.800 0.150 0.000 2.378 150 G HA2 0.327 4.286 3.960 -0.000 0.000 0.255 150 G HA3 0.327 4.286 3.960 -0.000 0.000 0.255 150 G C 0.561 175.512 174.900 0.085 0.000 1.270 150 G CA -0.421 44.777 45.100 0.163 0.000 0.876 150 G HN 0.748 nan 8.290 nan 0.000 0.521 151 L N 1.505 122.777 121.223 0.081 0.000 2.463 151 L HA 0.190 4.530 4.340 -0.000 0.000 0.219 151 L C 0.929 177.826 176.870 0.046 0.000 1.088 151 L CA 0.097 54.959 54.840 0.037 0.000 0.849 151 L CB -0.247 41.880 42.059 0.114 0.000 1.012 151 L HN 0.708 nan 8.230 nan 0.000 0.468 152 N N -3.157 115.602 118.700 0.098 0.000 3.229 152 N HA 0.118 4.857 4.740 -0.000 0.000 0.315 152 N C -0.069 175.587 175.510 0.243 0.000 1.520 152 N CA -0.663 52.470 53.050 0.138 0.000 0.769 152 N CB 0.170 38.710 38.487 0.088 0.000 1.766 152 N HN -0.322 nan 8.380 nan 0.000 0.618 153 D N -0.860 119.653 120.400 0.190 0.000 2.312 153 D HA 0.019 4.659 4.640 -0.000 0.000 0.211 153 D C 0.592 176.923 176.300 0.052 0.000 0.964 153 D CA 0.535 54.614 54.000 0.131 0.000 0.877 153 D CB -0.209 40.628 40.800 0.062 0.000 0.924 153 D HN 0.405 nan 8.370 nan 0.000 0.515 154 N N -0.027 118.711 118.700 0.062 0.000 2.381 154 N HA -0.071 4.669 4.740 -0.000 0.000 0.182 154 N C 1.448 176.992 175.510 0.056 0.000 1.025 154 N CA 0.428 53.504 53.050 0.045 0.000 0.888 154 N CB -0.060 38.449 38.487 0.038 0.000 0.965 154 N HN 0.024 nan 8.380 nan 0.000 0.438 155 S N 0.775 116.530 115.700 0.093 0.000 2.481 155 S HA 0.073 4.543 4.470 -0.000 0.000 0.231 155 S C 0.983 175.621 174.600 0.063 0.000 0.996 155 S CA 0.062 58.328 58.200 0.110 0.000 0.942 155 S CB 0.071 63.387 63.200 0.194 0.000 0.768 155 S HN 0.262 nan 8.310 nan 0.000 0.520 156 I N 3.561 124.121 120.570 -0.017 0.000 2.581 156 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 156 I C 0.395 176.511 176.117 -0.002 0.000 1.129 156 I CA -0.245 60.987 61.300 -0.113 0.000 1.397 156 I CB 0.081 37.895 38.000 -0.310 0.000 1.399 156 I HN 0.050 nan 8.210 nan 0.000 0.537 157 N N 5.981 124.708 118.700 0.044 0.000 2.408 157 N HA 0.040 4.780 4.740 -0.000 0.000 0.257 157 N C 0.760 176.358 175.510 0.146 0.000 1.064 157 N CA -0.065 53.034 53.050 0.082 0.000 0.952 157 N CB 0.992 39.524 38.487 0.075 0.000 1.093 157 N HN 0.399 nan 8.380 nan 0.000 0.490 158 E N 1.032 121.320 120.200 0.147 0.000 2.204 158 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 158 E C 1.528 178.164 176.600 0.059 0.000 0.990 158 E CA 1.437 57.946 56.400 0.182 0.000 0.821 158 E CB 0.024 29.796 29.700 0.121 0.000 0.750 158 E HN 0.766 nan 8.360 nan 0.000 0.477 159 S N -0.417 115.309 115.700 0.044 0.000 2.453 159 S HA -0.009 4.461 4.470 -0.000 0.000 0.231 159 S C 0.965 175.565 174.600 -0.001 0.000 1.005 159 S CA -0.032 58.171 58.200 0.005 0.000 0.949 159 S CB -0.040 63.168 63.200 0.014 0.000 0.774 159 S HN -0.027 nan 8.310 nan 0.000 0.510 160 V N 4.589 124.530 119.914 0.046 0.000 2.408 160 V HA 0.279 4.399 4.120 -0.000 0.000 0.267 160 V C -1.590 174.542 176.094 0.063 0.000 1.047 160 V CA -1.574 60.759 62.300 0.055 0.000 0.937 160 V CB 0.909 32.781 31.823 0.083 0.000 0.999 160 V HN 0.274 nan 8.190 nan 0.000 0.472 161 P HA 0.131 nan 4.420 nan 0.000 0.255 161 P C -0.112 177.224 177.300 0.060 0.000 1.301 161 P CA 0.326 63.376 63.100 -0.083 0.000 0.817 161 P CB 0.597 32.241 31.700 -0.093 0.000 1.259 162 V N 0.822 120.819 119.914 0.139 0.000 2.760 162 V HA 0.406 4.526 4.120 -0.000 0.000 0.309 162 V C -0.578 175.586 176.094 0.117 0.000 1.077 162 V CA -0.850 61.518 62.300 0.113 0.000 0.910 162 V CB 2.756 34.606 31.823 0.046 0.000 1.008 162 V HN -0.172 nan 8.190 nan 0.000 0.424 163 I N 5.541 126.143 120.570 0.054 0.000 2.410 163 I HA 0.461 4.631 4.170 -0.000 0.000 0.286 163 I C -0.748 175.378 176.117 0.016 0.000 1.009 163 I CA -0.761 60.504 61.300 -0.060 0.000 1.111 163 I CB 2.029 39.862 38.000 -0.277 0.000 1.262 163 I HN 0.243 nan 8.210 nan 0.000 0.443 164 V N 6.487 126.454 119.914 0.087 0.000 2.294 164 V HA 0.317 4.436 4.120 -0.000 0.000 0.272 164 V C 0.121 176.340 176.094 0.209 0.000 1.027 164 V CA -0.720 61.648 62.300 0.114 0.000 0.823 164 V CB 1.032 32.907 31.823 0.087 0.000 1.030 164 V HN 0.610 nan 8.190 nan 0.000 0.457 165 K N 2.918 123.431 120.400 0.188 0.000 2.183 165 K HA 0.679 4.999 4.320 -0.000 0.000 0.274 165 K C -0.357 176.266 176.600 0.038 0.000 1.009 165 K CA -0.079 56.311 56.287 0.172 0.000 0.888 165 K CB 1.595 34.207 32.500 0.187 0.000 1.078 165 K HN 0.746 nan 8.250 nan 0.000 0.459 166 T N 2.063 116.607 114.554 -0.018 0.000 2.754 166 T HA 0.365 4.715 4.350 -0.000 0.000 0.296 166 T C -1.739 172.895 174.700 -0.110 0.000 1.205 166 T CA -0.802 61.267 62.100 -0.052 0.000 1.009 166 T CB 1.213 70.067 68.868 -0.023 0.000 1.368 166 T HN 0.659 nan 8.240 nan 0.000 0.509 167 R N 1.861 122.282 120.500 -0.131 0.000 2.437 167 R HA 0.684 5.023 4.340 -0.000 0.000 0.310 167 R C -1.513 174.641 176.300 -0.244 0.000 0.955 167 R CA -0.515 55.475 56.100 -0.182 0.000 0.851 167 R CB 1.261 31.458 30.300 -0.172 0.000 1.161 167 R HN 0.455 nan 8.270 nan 0.000 0.446 168 V N 6.995 126.734 119.914 -0.290 0.000 2.383 168 V HA 0.319 4.438 4.120 -0.000 0.000 0.275 168 V C -2.066 173.701 176.094 -0.544 0.000 1.036 168 V CA -2.022 60.016 62.300 -0.436 0.000 0.889 168 V CB 1.257 32.885 31.823 -0.326 0.000 0.985 168 V HN 0.771 nan 8.190 nan 0.000 0.459 169 P HA 0.134 nan 4.420 nan 0.000 0.272 169 P C 0.230 177.217 177.300 -0.522 0.000 1.223 169 P CA -0.067 62.632 63.100 -0.669 0.000 0.784 169 P CB 0.390 31.630 31.700 -0.766 0.000 0.923 170 T N 0.668 115.067 114.554 -0.258 0.000 2.906 170 T HA 0.195 4.545 4.350 -0.000 0.000 0.320 170 T C 0.919 175.641 174.700 0.037 0.000 1.088 170 T CA 1.676 63.708 62.100 -0.112 0.000 1.120 170 T CB -0.831 67.992 68.868 -0.075 0.000 1.000 170 T HN 0.914 nan 8.240 nan 0.000 0.550 171 T N 0.332 114.956 114.554 0.117 0.000 5.983 171 T HA -0.175 4.174 4.350 -0.000 0.000 0.274 171 T C 0.026 174.950 174.700 0.373 0.000 2.195 171 T CA 0.585 62.818 62.100 0.220 0.000 3.709 171 T CB -2.595 66.394 68.868 0.201 0.000 0.873 171 T HN 0.489 nan 8.240 nan 0.000 1.045 172 F N 3.445 123.416 119.950 0.036 0.000 2.418 172 F HA 0.538 5.065 4.527 -0.001 0.000 0.341 172 F C 1.086 176.986 175.800 0.166 0.000 1.120 172 F CA -1.244 56.808 58.000 0.086 0.000 1.232 172 F CB 0.362 39.362 39.000 -0.001 0.000 1.175 172 F HN 0.171 nan 8.300 nan 0.000 0.569 173 D N 1.713 122.314 120.400 0.335 0.000 2.362 173 D HA 0.253 4.893 4.640 -0.000 0.000 0.242 173 D C -0.653 175.873 176.300 0.376 0.000 1.132 173 D CA 0.593 54.774 54.000 0.302 0.000 0.907 173 D CB 0.981 41.902 40.800 0.203 0.000 1.195 173 D HN 0.481 nan 8.370 nan 0.000 0.429 174 Y N -2.391 117.896 120.300 -0.023 0.000 2.662 174 Y HA 0.564 5.113 4.550 -0.001 0.000 0.334 174 Y C -0.912 174.651 175.900 -0.560 0.000 1.185 174 Y CA -1.298 56.716 58.100 -0.142 0.000 1.074 174 Y CB 0.904 39.325 38.460 -0.066 0.000 1.330 174 Y HN 0.412 nan 8.280 nan 0.000 0.458 175 G N 0.431 108.672 108.800 -0.931 0.000 2.630 175 G HA2 0.669 4.628 3.960 -0.000 0.000 0.296 175 G HA3 0.669 4.628 3.960 -0.000 0.000 0.296 175 G C -1.551 172.925 174.900 -0.707 0.000 1.285 175 G CA -0.672 43.195 45.100 -2.055 0.000 0.958 175 G HN 1.529 nan 8.290 nan 0.000 0.479 176 V N -1.195 118.484 119.914 -0.391 0.000 2.540 176 V HA 0.826 4.945 4.120 -0.000 0.000 0.302 176 V C -0.674 175.539 176.094 0.197 0.000 1.035 176 V CA -0.998 61.333 62.300 0.051 0.000 0.873 176 V CB 1.243 33.106 31.823 0.067 0.000 0.992 176 V HN 0.587 nan 8.190 nan 0.000 0.428 177 L N 4.793 126.133 121.223 0.194 0.000 2.322 177 L HA 0.594 4.933 4.340 -0.000 0.000 0.281 177 L C -0.053 176.866 176.870 0.082 0.000 1.014 177 L CA -0.385 54.550 54.840 0.158 0.000 0.815 177 L CB 1.785 43.979 42.059 0.225 0.000 1.247 177 L HN 0.847 nan 8.230 nan 0.000 0.421 178 N N 3.313 122.016 118.700 0.005 0.000 2.518 178 N HA 0.230 4.970 4.740 -0.000 0.000 0.254 178 N C -1.994 173.516 175.510 0.000 0.000 0.979 178 N CA -0.383 52.664 53.050 -0.005 0.000 0.930 178 N CB 1.304 39.757 38.487 -0.058 0.000 1.152 178 N HN 0.680 nan 8.380 nan 0.000 0.505 179 D N 2.445 122.862 120.400 0.027 0.000 2.964 179 D HA 0.175 4.814 4.640 -0.000 0.000 0.234 179 D C -0.592 175.724 176.300 0.027 0.000 1.223 179 D CA -0.390 53.626 54.000 0.027 0.000 0.889 179 D CB 1.172 41.999 40.800 0.045 0.000 1.609 179 D HN 0.350 nan 8.370 nan 0.000 0.523 180 K N 2.180 122.590 120.400 0.017 0.000 4.040 180 K HA -0.319 4.001 4.320 -0.000 0.000 0.279 180 K C 0.439 177.052 176.600 0.021 0.000 0.890 180 K CA 1.363 57.661 56.287 0.018 0.000 0.782 180 K CB -1.036 31.478 32.500 0.024 0.000 1.613 180 K HN 0.922 nan 8.250 nan 0.000 0.440 181 E N -3.087 117.122 120.200 0.013 0.000 4.067 181 E HA -0.230 4.119 4.350 -0.000 0.000 0.346 181 E C -0.863 175.750 176.600 0.021 0.000 0.613 181 E CA 2.162 58.569 56.400 0.013 0.000 1.252 181 E CB -1.315 28.394 29.700 0.016 0.000 1.731 181 E HN 0.369 nan 8.360 nan 0.000 0.406 182 T N 1.784 116.359 114.554 0.034 0.000 2.744 182 T HA 0.544 4.894 4.350 -0.000 0.000 0.291 182 T C -0.382 174.349 174.700 0.052 0.000 0.957 182 T CA -0.103 62.028 62.100 0.052 0.000 1.002 182 T CB 1.721 70.631 68.868 0.069 0.000 0.919 182 T HN 0.226 nan 8.240 nan 0.000 0.468 183 V N 4.418 124.364 119.914 0.052 0.000 2.398 183 V HA 0.702 4.822 4.120 -0.000 0.000 0.286 183 V C 0.146 176.315 176.094 0.124 0.000 1.026 183 V CA -0.702 61.644 62.300 0.077 0.000 0.868 183 V CB 1.305 33.154 31.823 0.044 0.000 0.982 183 V HN 1.044 nan 8.190 nan 0.000 0.443 184 S N 5.162 120.956 115.700 0.156 0.000 2.595 184 S HA 0.797 5.266 4.470 -0.000 0.000 0.281 184 S C -1.008 173.717 174.600 0.210 0.000 1.117 184 S CA -0.975 57.330 58.200 0.174 0.000 0.873 184 S CB 1.669 64.963 63.200 0.157 0.000 1.108 184 S HN 0.448 nan 8.310 nan 0.000 0.477 185 L N 1.577 122.923 121.223 0.204 0.000 2.357 185 L HA 0.581 4.920 4.340 -0.000 0.000 0.273 185 L C -0.613 176.367 176.870 0.183 0.000 1.080 185 L CA -1.015 53.953 54.840 0.213 0.000 0.803 185 L CB 0.880 43.071 42.059 0.220 0.000 1.174 185 L HN 0.596 nan 8.230 nan 0.000 0.443 186 L N 3.411 124.721 121.223 0.145 0.000 2.317 186 L HA 0.644 4.983 4.340 -0.000 0.000 0.281 186 L C -0.662 176.333 176.870 0.208 0.000 1.024 186 L CA 0.048 54.992 54.840 0.173 0.000 0.810 186 L CB 1.393 43.556 42.059 0.174 0.000 1.240 186 L HN 0.418 nan 8.230 nan 0.000 0.427 187 L N 3.123 124.538 121.223 0.319 0.000 2.327 187 L HA 0.570 4.910 4.340 -0.000 0.000 0.258 187 L C -0.094 177.101 176.870 0.542 0.000 1.024 187 L CA -1.183 53.927 54.840 0.450 0.000 0.825 187 L CB 1.517 43.879 42.059 0.505 0.000 1.386 187 L HN 0.510 nan 8.230 nan 0.000 0.417 188 N N 0.720 119.746 118.700 0.543 0.000 2.307 188 N HA 0.034 4.774 4.740 -0.000 0.000 0.230 188 N C -0.355 175.114 175.510 -0.068 0.000 1.297 188 N CA 0.064 53.253 53.050 0.233 0.000 0.884 188 N CB 0.330 38.788 38.487 -0.049 0.000 1.115 188 N HN 0.531 nan 8.380 nan 0.000 0.436 189 Q N -0.422 119.211 119.800 -0.279 0.000 2.454 189 Q HA 0.268 4.608 4.340 -0.000 0.000 0.247 189 Q C 0.892 176.616 176.000 -0.460 0.000 1.028 189 Q CA 0.606 56.154 55.803 -0.425 0.000 0.910 189 Q CB 0.327 28.727 28.738 -0.564 0.000 1.276 189 Q HN 0.875 nan 8.270 nan 0.000 0.489 190 G N 0.628 109.258 108.800 -0.284 0.000 2.157 190 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 190 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 190 G C -0.387 174.437 174.900 -0.126 0.000 0.979 190 G CA -0.322 44.688 45.100 -0.149 0.000 0.650 190 G HN 0.404 nan 8.290 nan 0.000 0.529 191 F N 2.002 122.031 119.950 0.131 0.000 2.382 191 F HA 0.621 5.148 4.527 -0.000 0.000 0.331 191 F C 1.184 177.115 175.800 0.218 0.000 1.121 191 F CA -0.352 57.756 58.000 0.179 0.000 1.183 191 F CB 1.326 40.461 39.000 0.225 0.000 1.207 191 F HN 0.296 nan 8.300 nan 0.000 0.555 192 S N 1.457 117.411 115.700 0.423 0.000 2.664 192 S HA 0.789 5.258 4.470 -0.000 0.000 0.304 192 S C -1.065 173.691 174.600 0.260 0.000 1.099 192 S CA -0.751 57.651 58.200 0.338 0.000 1.003 192 S CB 2.030 65.350 63.200 0.201 0.000 1.092 192 S HN 0.485 nan 8.310 nan 0.000 0.525 193 I N 0.741 121.376 120.570 0.107 0.000 2.474 193 I HA 0.557 4.726 4.170 -0.000 0.000 0.294 193 I C -1.343 174.748 176.117 -0.045 0.000 1.005 193 I CA -1.326 59.926 61.300 -0.081 0.000 1.113 193 I CB 1.363 39.089 38.000 -0.455 0.000 1.289 193 I HN 0.749 nan 8.210 nan 0.000 0.436 194 I N 9.351 129.901 120.570 -0.033 0.000 2.371 194 I HA 0.360 4.529 4.170 -0.000 0.000 0.282 194 I C -2.297 173.806 176.117 -0.023 0.000 1.031 194 I CA -1.801 59.482 61.300 -0.028 0.000 1.180 194 I CB 1.025 39.005 38.000 -0.033 0.000 1.336 194 I HN 0.376 nan 8.210 nan 0.000 0.467 195 P HA 0.141 nan 4.420 nan 0.000 0.271 195 P C -0.078 177.223 177.300 0.001 0.000 1.220 195 P CA 0.078 63.178 63.100 0.000 0.000 0.768 195 P CB 0.900 32.618 31.700 0.030 0.000 0.848 196 E N 0.606 120.802 120.200 -0.006 0.000 2.330 196 E HA 0.075 4.425 4.350 -0.000 0.000 0.200 196 E C 0.198 176.798 176.600 -0.000 0.000 0.922 196 E CA 0.315 56.711 56.400 -0.007 0.000 0.935 196 E CB 0.452 30.143 29.700 -0.014 0.000 0.917 196 E HN 0.527 nan 8.360 nan 0.000 0.491 197 S N -0.344 115.358 115.700 0.003 0.000 2.579 197 S HA 0.808 5.278 4.470 -0.000 0.000 0.272 197 S C -1.138 173.471 174.600 0.015 0.000 1.141 197 S CA -0.826 57.380 58.200 0.009 0.000 0.843 197 S CB 2.332 65.536 63.200 0.006 0.000 1.122 197 S HN 0.071 nan 8.310 nan 0.000 0.468 198 A N 1.478 124.311 122.820 0.021 0.000 2.466 198 A HA 0.742 5.062 4.320 -0.000 0.000 0.284 198 A C -0.556 177.046 177.584 0.029 0.000 1.049 198 A CA -0.824 51.229 52.037 0.027 0.000 0.760 198 A CB 0.408 19.428 19.000 0.034 0.000 1.274 198 A HN 1.570 nan 8.150 nan 0.000 0.412 199 I N -0.846 119.743 120.570 0.031 0.000 3.108 199 I HA 0.751 4.921 4.170 -0.000 0.000 0.312 199 I C -0.847 175.295 176.117 0.041 0.000 1.095 199 I CA -1.492 59.827 61.300 0.031 0.000 1.000 199 I CB 1.914 39.928 38.000 0.024 0.000 1.229 199 I HN 0.442 nan 8.210 nan 0.000 0.454 200 I N 1.805 122.400 120.570 0.041 0.000 2.342 200 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 200 I C 0.152 176.302 176.117 0.055 0.000 1.010 200 I CA 0.072 61.404 61.300 0.053 0.000 1.308 200 I CB 1.563 39.589 38.000 0.044 0.000 1.400 200 I HN 0.621 nan 8.210 nan 0.000 0.488 201 T N 4.131 118.733 114.554 0.080 0.000 2.887 201 T HA 0.497 4.847 4.350 -0.000 0.000 0.288 201 T C -0.543 174.237 174.700 0.134 0.000 1.021 201 T CA -0.372 61.774 62.100 0.077 0.000 1.000 201 T CB 1.151 70.041 68.868 0.038 0.000 1.034 201 T HN 0.549 nan 8.240 nan 0.000 0.467 202 T N 4.617 119.233 114.554 0.103 0.000 2.791 202 T HA 0.530 4.879 4.350 -0.000 0.000 0.288 202 T C -0.560 174.205 174.700 0.110 0.000 0.999 202 T CA -0.494 61.682 62.100 0.126 0.000 0.952 202 T CB 0.323 69.234 68.868 0.071 0.000 0.938 202 T HN 0.620 nan 8.240 nan 0.000 0.444 203 I N 2.846 123.517 120.570 0.169 0.000 2.410 203 I HA 0.422 4.592 4.170 -0.000 0.000 0.286 203 I C -0.328 175.866 176.117 0.129 0.000 1.009 203 I CA -0.614 60.741 61.300 0.092 0.000 1.111 203 I CB 0.537 38.525 38.000 -0.021 0.000 1.262 203 I HN 0.640 nan 8.210 nan 0.000 0.443 204 K N 5.447 125.892 120.400 0.074 0.000 3.181 204 K HA -0.169 4.151 4.320 -0.000 0.000 0.269 204 K C 0.751 177.387 176.600 0.059 0.000 1.097 204 K CA 0.661 56.984 56.287 0.061 0.000 0.783 204 K CB -1.884 30.653 32.500 0.061 0.000 1.267 204 K HN 1.333 nan 8.250 nan 0.000 0.484 205 G N -0.031 108.800 108.800 0.051 0.000 2.220 205 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.269 205 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.269 205 G C 0.084 175.000 174.900 0.027 0.000 0.977 205 G CA 1.111 46.232 45.100 0.035 0.000 0.634 205 G HN 0.360 nan 8.290 nan 0.000 0.539 206 K N 0.971 121.401 120.400 0.049 0.000 2.156 206 K HA 0.409 4.729 4.320 -0.000 0.000 0.271 206 K C -0.921 175.670 176.600 -0.016 0.000 0.995 206 K CA -0.753 55.520 56.287 -0.023 0.000 0.890 206 K CB 0.746 33.204 32.500 -0.070 0.000 1.073 206 K HN 0.071 nan 8.250 nan 0.000 0.454 207 D N 2.007 122.333 120.400 -0.123 0.000 2.256 207 D HA 0.228 4.868 4.640 -0.000 0.000 0.250 207 D C -0.767 175.406 176.300 -0.212 0.000 1.093 207 D CA 0.276 54.241 54.000 -0.058 0.000 0.882 207 D CB 0.581 41.358 40.800 -0.039 0.000 1.185 207 D HN 0.274 nan 8.370 nan 0.000 0.437 208 Y N 0.109 120.400 120.300 -0.014 0.000 2.545 208 Y HA 0.455 5.005 4.550 -0.000 0.000 0.348 208 Y C 0.261 176.153 175.900 -0.013 0.000 1.002 208 Y CA -1.205 56.882 58.100 -0.021 0.000 1.039 208 Y CB 1.534 39.968 38.460 -0.044 0.000 1.271 208 Y HN 0.104 nan 8.280 nan 0.000 0.467 209 I N 3.761 124.422 120.570 0.152 0.000 2.322 209 I HA 0.097 4.266 4.170 -0.000 0.000 0.292 209 I C -0.767 175.400 176.117 0.083 0.000 1.060 209 I CA -0.374 60.981 61.300 0.093 0.000 1.309 209 I CB 0.611 38.649 38.000 0.062 0.000 1.415 209 I HN 0.276 nan 8.210 nan 0.000 0.492 210 L N 9.379 130.637 121.223 0.059 0.000 2.278 210 L HA 0.451 4.791 4.340 -0.000 0.000 0.287 210 L C -0.410 176.478 176.870 0.030 0.000 1.072 210 L CA 0.330 55.187 54.840 0.030 0.000 0.819 210 L CB 0.231 42.300 42.059 0.017 0.000 1.176 210 L HN 0.370 nan 8.230 nan 0.000 0.435 211 I N 4.982 125.569 120.570 0.028 0.000 2.377 211 I HA 0.361 4.531 4.170 -0.000 0.000 0.293 211 I C -0.235 175.896 176.117 0.023 0.000 0.987 211 I CA -0.601 60.710 61.300 0.018 0.000 1.185 211 I CB 1.367 39.367 38.000 -0.000 0.000 1.341 211 I HN 0.503 nan 8.210 nan 0.000 0.455 212 E N 5.366 125.574 120.200 0.012 0.000 2.134 212 E HA 0.535 4.884 4.350 -0.000 0.000 0.278 212 E C -0.208 176.386 176.600 -0.011 0.000 0.959 212 E CA -0.362 56.041 56.400 0.005 0.000 0.783 212 E CB 2.288 31.988 29.700 0.000 0.000 1.095 212 E HN 0.822 nan 8.360 nan 0.000 0.399 213 G N 1.146 109.933 108.800 -0.020 0.000 2.574 213 G HA2 0.428 4.388 3.960 -0.000 0.000 0.299 213 G HA3 0.428 4.388 3.960 -0.000 0.000 0.299 213 G C -0.650 174.228 174.900 -0.037 0.000 1.298 213 G CA -0.523 44.556 45.100 -0.035 0.000 0.952 213 G HN 0.308 nan 8.290 nan 0.000 0.477 214 S N -0.268 115.411 115.700 -0.034 0.000 2.525 214 S HA 0.390 4.860 4.470 -0.000 0.000 0.278 214 S C -0.210 174.381 174.600 -0.015 0.000 1.234 214 S CA -0.458 57.722 58.200 -0.033 0.000 1.058 214 S CB 1.586 64.770 63.200 -0.026 0.000 0.983 214 S HN 0.555 nan 8.310 nan 0.000 0.495 215 L N 3.036 124.245 121.223 -0.024 0.000 2.319 215 L HA 0.556 4.895 4.340 -0.000 0.000 0.280 215 L C 0.289 177.196 176.870 0.061 0.000 1.099 215 L CA 0.731 55.580 54.840 0.016 0.000 0.828 215 L CB 1.083 43.102 42.059 -0.066 0.000 1.150 215 L HN 0.697 nan 8.230 nan 0.000 0.442 216 S N 3.060 118.845 115.700 0.141 0.000 3.132 216 S HA 0.707 5.176 4.470 -0.000 0.000 0.322 216 S C -1.478 173.287 174.600 0.274 0.000 1.124 216 S CA -0.506 57.794 58.200 0.167 0.000 0.906 216 S CB 1.306 64.565 63.200 0.098 0.000 1.349 216 S HN 0.720 nan 8.310 nan 0.000 0.686 217 Q N 0.696 120.622 119.800 0.210 0.000 2.327 217 Q HA 0.362 4.701 4.340 -0.000 0.000 0.265 217 Q C -1.975 174.078 176.000 0.088 0.000 0.993 217 Q CA -0.378 55.546 55.803 0.202 0.000 0.885 217 Q CB 1.558 30.440 28.738 0.241 0.000 1.379 217 Q HN 0.638 nan 8.270 nan 0.000 0.408 218 E N 1.965 122.194 120.200 0.048 0.000 2.313 218 E HA 0.207 4.557 4.350 -0.000 0.000 0.272 218 E C -0.755 175.770 176.600 -0.125 0.000 1.038 218 E CA -0.776 55.603 56.400 -0.033 0.000 0.863 218 E CB 1.091 30.768 29.700 -0.038 0.000 1.060 218 E HN 0.473 nan 8.360 nan 0.000 0.402 219 L N 3.746 124.857 121.223 -0.187 0.000 2.536 219 L HA 0.098 4.438 4.340 -0.000 0.000 0.282 219 L C -0.888 175.617 176.870 -0.608 0.000 1.147 219 L CA 0.764 55.383 54.840 -0.369 0.000 0.936 219 L CB -0.404 41.495 42.059 -0.266 0.000 1.279 219 L HN 0.354 nan 8.230 nan 0.000 0.461 220 D N 3.560 123.504 120.400 -0.759 0.000 2.936 220 D HA 0.196 4.836 4.640 -0.000 0.000 0.238 220 D C -0.121 175.674 176.300 -0.841 0.000 1.248 220 D CA -0.321 53.212 54.000 -0.777 0.000 0.903 220 D CB 0.820 41.212 40.800 -0.680 0.000 1.544 220 D HN 0.329 nan 8.370 nan 0.000 0.543 221 F N 2.504 122.327 119.950 -0.212 0.000 2.695 221 F HA 0.164 4.691 4.527 -0.001 0.000 0.303 221 F C 0.742 176.532 175.800 -0.017 0.000 1.091 221 F CA -0.443 57.518 58.000 -0.066 0.000 1.300 221 F CB -0.140 38.855 39.000 -0.008 0.000 1.071 221 F HN 0.309 nan 8.300 nan 0.000 0.578 222 Y N 0.502 120.872 120.300 0.117 0.000 2.784 222 Y HA -0.518 4.032 4.550 -0.001 0.000 0.460 222 Y C 1.997 177.717 175.900 -0.301 0.000 1.134 222 Y CA 1.143 59.118 58.100 -0.208 0.000 2.627 222 Y CB -1.465 36.795 38.460 -0.334 0.000 1.163 222 Y HN 0.208 nan 8.280 nan 0.000 0.633 223 N N 0.869 119.497 118.700 -0.121 0.000 2.422 223 N HA -0.002 4.737 4.740 -0.000 0.000 0.181 223 N C 0.877 176.370 175.510 -0.028 0.000 1.080 223 N CA 1.474 54.442 53.050 -0.137 0.000 0.893 223 N CB -0.258 38.121 38.487 -0.178 0.000 0.973 223 N HN 0.649 nan 8.380 nan 0.000 0.456 224 K N 0.317 120.739 120.400 0.035 0.000 2.155 224 K HA 0.088 4.408 4.320 -0.000 0.000 0.203 224 K C 1.099 177.738 176.600 0.066 0.000 1.052 224 K CA 0.611 56.933 56.287 0.058 0.000 0.948 224 K CB -0.378 32.178 32.500 0.093 0.000 0.728 224 K HN 0.321 nan 8.250 nan 0.000 0.448 225 G N 1.017 109.884 108.800 0.113 0.000 2.682 225 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.256 225 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.256 225 G C -0.533 174.245 174.900 -0.204 0.000 1.333 225 G CA -0.034 45.102 45.100 0.061 0.000 0.904 225 G HN 0.286 nan 8.290 nan 0.000 0.569 226 S N -0.656 114.808 115.700 -0.394 0.000 2.575 226 S HA 0.538 5.008 4.470 -0.000 0.000 0.278 226 S C 0.858 175.362 174.600 -0.159 0.000 1.139 226 S CA 0.603 58.504 58.200 -0.499 0.000 0.954 226 S CB 1.487 63.917 63.200 -1.284 0.000 1.054 226 S HN 1.010 nan 8.310 nan 0.000 0.483 227 E N 3.845 124.011 120.200 -0.058 0.000 2.385 227 E HA 0.096 4.446 4.350 -0.000 0.000 0.194 227 E C 1.463 178.064 176.600 0.003 0.000 1.013 227 E CA 0.775 57.198 56.400 0.039 0.000 0.866 227 E CB -0.108 29.637 29.700 0.075 0.000 0.832 227 E HN 0.543 nan 8.360 nan 0.000 0.500 228 A N 1.221 124.012 122.820 -0.048 0.000 1.898 228 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 228 A C 1.877 179.393 177.584 -0.113 0.000 1.183 228 A CA 0.816 52.819 52.037 -0.058 0.000 0.622 228 A CB -1.143 17.843 19.000 -0.022 0.000 0.824 228 A HN 0.451 nan 8.150 nan 0.000 0.444 229 W N 0.895 122.029 121.300 -0.276 0.000 2.338 229 W HA -0.143 4.517 4.660 -0.000 0.000 0.304 229 W C 2.227 178.521 176.519 -0.375 0.000 1.212 229 W CA 2.329 59.529 57.345 -0.242 0.000 1.264 229 W CB -0.358 28.991 29.460 -0.185 0.000 1.142 229 W HN 0.280 nan 8.180 nan 0.000 0.512 230 G N -0.223 108.257 108.800 -0.533 0.000 2.404 230 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 230 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 230 G C 1.578 176.005 174.900 -0.788 0.000 1.174 230 G CA 1.427 45.820 45.100 -1.178 0.000 0.780 230 G HN 0.460 nan 8.290 nan 0.000 0.537 231 A N 0.902 123.345 122.820 -0.628 0.000 1.877 231 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 231 A C 2.166 179.429 177.584 -0.535 0.000 1.186 231 A CA 2.266 53.874 52.037 -0.715 0.000 0.620 231 A CB -0.511 18.323 19.000 -0.276 0.000 0.822 231 A HN 0.408 nan 8.150 nan 0.000 0.443 232 E N 0.520 120.452 120.200 -0.447 0.000 2.058 232 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 232 E C 1.681 177.977 176.600 -0.506 0.000 0.997 232 E CA 2.059 58.214 56.400 -0.408 0.000 0.801 232 E CB -0.162 29.305 29.700 -0.387 0.000 0.746 232 E HN 0.630 nan 8.360 nan 0.000 0.450 233 N N -1.693 116.581 118.700 -0.711 0.000 2.414 233 N HA -0.001 4.739 4.740 -0.000 0.000 0.177 233 N C 0.300 175.296 175.510 -0.856 0.000 1.062 233 N CA 0.536 53.093 53.050 -0.821 0.000 0.890 233 N CB 0.381 38.135 38.487 -1.221 0.000 1.070 233 N HN 0.245 nan 8.380 nan 0.000 0.454 234 Y N -0.532 119.474 120.300 -0.490 0.000 2.675 234 Y HA 0.330 4.880 4.550 -0.000 0.000 0.248 234 Y C 1.942 177.689 175.900 -0.255 0.000 1.161 234 Y CA -0.524 57.437 58.100 -0.232 0.000 1.203 234 Y CB 0.523 38.955 38.460 -0.046 0.000 1.262 234 Y HN -0.068 nan 8.280 nan 0.000 0.544 235 G N 0.762 109.274 108.800 -0.480 0.000 2.475 235 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 235 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 235 G C 1.032 175.901 174.900 -0.051 0.000 1.125 235 G CA 1.663 46.467 45.100 -0.493 0.000 0.755 235 G HN 0.457 nan 8.290 nan 0.000 0.565 236 D N -1.503 118.879 120.400 -0.030 0.000 2.424 236 D HA 0.069 4.709 4.640 -0.000 0.000 0.220 236 D C 1.329 177.686 176.300 0.096 0.000 1.150 236 D CA -0.786 53.230 54.000 0.026 0.000 0.831 236 D CB -0.467 40.316 40.800 -0.028 0.000 0.981 236 D HN 0.293 nan 8.370 nan 0.000 0.500 237 Y N 1.526 121.864 120.300 0.063 0.000 2.145 237 Y HA -0.079 4.470 4.550 -0.000 0.000 0.286 237 Y C 1.856 177.818 175.900 0.103 0.000 1.145 237 Y CA 1.420 59.602 58.100 0.138 0.000 1.148 237 Y CB -0.324 38.355 38.460 0.365 0.000 0.981 237 Y HN -0.047 nan 8.280 nan 0.000 0.507 238 I N 0.041 120.555 120.570 -0.094 0.000 2.151 238 I HA -0.384 3.785 4.170 -0.000 0.000 0.243 238 I C 2.594 178.588 176.117 -0.205 0.000 1.080 238 I CA 1.969 63.112 61.300 -0.261 0.000 1.339 238 I CB -0.642 37.195 38.000 -0.271 0.000 1.039 238 I HN 0.380 nan 8.210 nan 0.000 0.409 239 S N 0.161 115.793 115.700 -0.113 0.000 2.469 239 S HA -0.167 4.303 4.470 -0.000 0.000 0.238 239 S C 1.764 176.301 174.600 -0.105 0.000 0.998 239 S CA 0.898 59.043 58.200 -0.092 0.000 0.957 239 S CB -0.355 62.815 63.200 -0.049 0.000 0.764 239 S HN 0.451 nan 8.310 nan 0.000 0.514 240 K N 0.203 120.529 120.400 -0.124 0.000 2.379 240 K HA 0.325 4.644 4.320 -0.000 0.000 0.194 240 K C 0.004 176.522 176.600 -0.137 0.000 1.031 240 K CA -0.023 56.203 56.287 -0.102 0.000 1.037 240 K CB 0.037 32.515 32.500 -0.038 0.000 0.824 240 K HN 0.403 nan 8.250 nan 0.000 0.516 241 L N 2.059 123.156 121.223 -0.210 0.000 2.350 241 L HA 0.123 4.462 4.340 -0.000 0.000 0.275 241 L C 0.806 177.579 176.870 -0.161 0.000 1.099 241 L CA -0.633 54.096 54.840 -0.185 0.000 0.808 241 L CB 1.192 43.111 42.059 -0.234 0.000 1.149 241 L HN 0.096 nan 8.230 nan 0.000 0.442 242 S N 0.125 115.749 115.700 -0.126 0.000 2.598 242 S HA -0.017 4.453 4.470 -0.000 0.000 0.256 242 S C 1.013 175.536 174.600 -0.128 0.000 1.350 242 S CA -0.131 57.976 58.200 -0.156 0.000 0.984 242 S CB 0.277 63.432 63.200 -0.076 0.000 0.930 242 S HN 0.646 nan 8.310 nan 0.000 0.577 243 H N 0.732 119.791 119.070 -0.018 0.000 2.389 243 H HA -0.061 4.495 4.556 -0.001 0.000 0.299 243 H C 2.387 177.714 175.328 -0.000 0.000 1.081 243 H CA 1.728 57.770 56.048 -0.011 0.000 1.345 243 H CB -0.019 29.739 29.762 -0.006 0.000 1.393 243 H HN 0.902 nan 8.280 nan 0.000 0.520 244 E N 1.006 121.278 120.200 0.120 0.000 2.158 244 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 244 E C 1.772 178.404 176.600 0.053 0.000 0.982 244 E CA 0.803 57.249 56.400 0.078 0.000 0.823 244 E CB -0.066 29.672 29.700 0.062 0.000 0.766 244 E HN 0.559 nan 8.360 nan 0.000 0.468 245 Q N 0.337 120.156 119.800 0.032 0.000 2.079 245 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 245 Q C 2.241 178.259 176.000 0.029 0.000 0.974 245 Q CA 1.186 57.001 55.803 0.020 0.000 0.840 245 Q CB -0.088 28.648 28.738 -0.003 0.000 0.898 245 Q HN 0.244 nan 8.270 nan 0.000 0.430 246 L N 0.463 121.704 121.223 0.030 0.000 1.994 246 L HA -0.072 4.267 4.340 -0.000 0.000 0.208 246 L C 2.119 179.049 176.870 0.100 0.000 1.071 246 L CA 2.423 57.300 54.840 0.062 0.000 0.745 246 L CB -1.217 40.862 42.059 0.033 0.000 0.892 246 L HN 0.203 nan 8.230 nan 0.000 0.431 247 G N -1.014 107.840 108.800 0.090 0.000 2.476 247 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 247 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 247 G C 1.597 176.545 174.900 0.080 0.000 1.164 247 G CA 1.172 46.325 45.100 0.088 0.000 0.768 247 G HN 0.687 nan 8.290 nan 0.000 0.560 248 A N 0.171 123.028 122.820 0.062 0.000 1.902 248 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 248 A C 2.377 179.979 177.584 0.031 0.000 1.181 248 A CA 1.780 53.846 52.037 0.049 0.000 0.623 248 A CB -0.431 18.591 19.000 0.036 0.000 0.818 248 A HN 0.469 nan 8.150 nan 0.000 0.443 249 L N -0.026 121.204 121.223 0.010 0.000 2.005 249 L HA -0.093 4.246 4.340 -0.000 0.000 0.207 249 L C 2.148 178.994 176.870 -0.040 0.000 1.072 249 L CA 2.423 57.233 54.840 -0.050 0.000 0.744 249 L CB -0.829 41.207 42.059 -0.039 0.000 0.895 249 L HN 0.512 nan 8.230 nan 0.000 0.433 250 E N -0.560 119.679 120.200 0.065 0.000 2.130 250 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 250 E C 2.010 178.628 176.600 0.030 0.000 0.998 250 E CA 1.138 57.573 56.400 0.059 0.000 0.806 250 E CB -0.521 29.305 29.700 0.210 0.000 0.738 250 E HN 0.717 nan 8.360 nan 0.000 0.459 251 G N 0.118 108.972 108.800 0.089 0.000 2.402 251 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.216 251 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.216 251 G C 1.361 176.327 174.900 0.111 0.000 1.162 251 G CA 0.855 46.023 45.100 0.114 0.000 0.777 251 G HN 0.308 nan 8.290 nan 0.000 0.539 252 Y N 1.162 121.442 120.300 -0.033 0.000 2.145 252 Y HA -0.052 4.498 4.550 -0.000 0.000 0.286 252 Y C 2.581 178.482 175.900 0.002 0.000 1.145 252 Y CA 1.485 59.564 58.100 -0.034 0.000 1.148 252 Y CB -0.275 38.057 38.460 -0.212 0.000 0.981 252 Y HN 0.096 nan 8.280 nan 0.000 0.507 253 L N -0.938 120.238 121.223 -0.079 0.000 2.131 253 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 253 L C 1.934 178.814 176.870 0.016 0.000 1.092 253 L CA 1.365 56.082 54.840 -0.204 0.000 0.759 253 L CB -0.494 41.205 42.059 -0.600 0.000 0.903 253 L HN 0.371 nan 8.230 nan 0.000 0.435 254 H N -3.161 116.008 119.070 0.165 0.000 2.729 254 H HA 0.182 4.737 4.556 -0.001 0.000 0.263 254 H C 1.961 177.372 175.328 0.139 0.000 0.961 254 H CA 0.908 57.064 56.048 0.180 0.000 1.217 254 H CB 1.082 30.941 29.762 0.162 0.000 1.447 254 H HN 0.203 nan 8.280 nan 0.000 0.496 255 S N -0.980 114.851 115.700 0.218 0.000 2.597 255 S HA 0.018 4.488 4.470 -0.000 0.000 0.275 255 S C 0.471 175.087 174.600 0.026 0.000 1.040 255 S CA -0.109 58.155 58.200 0.106 0.000 1.187 255 S CB 0.388 63.647 63.200 0.099 0.000 0.988 255 S HN 0.069 nan 8.310 nan 0.000 0.490 256 D N 1.092 121.516 120.400 0.040 0.000 2.360 256 D HA 0.185 4.824 4.640 -0.000 0.000 0.210 256 D C 1.452 177.738 176.300 -0.023 0.000 1.047 256 D CA 0.458 54.472 54.000 0.023 0.000 0.854 256 D CB -0.130 40.724 40.800 0.091 0.000 0.936 256 D HN 0.752 nan 8.370 nan 0.000 0.514 257 Y N 0.938 121.046 120.300 -0.320 0.000 2.352 257 Y HA 0.025 4.575 4.550 -0.001 0.000 0.292 257 Y C 2.083 177.898 175.900 -0.142 0.000 1.136 257 Y CA 0.876 58.669 58.100 -0.513 0.000 1.227 257 Y CB -0.131 37.638 38.460 -1.153 0.000 0.991 257 Y HN -0.238 nan 8.280 nan 0.000 0.545 258 K N 1.058 121.146 120.400 -0.520 0.000 2.002 258 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 258 K C 2.435 178.981 176.600 -0.091 0.000 1.048 258 K CA 1.393 57.471 56.287 -0.348 0.000 0.930 258 K CB -0.477 31.809 32.500 -0.355 0.000 0.714 258 K HN 0.430 nan 8.250 nan 0.000 0.438 259 A N 1.155 123.945 122.820 -0.050 0.000 1.877 259 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 259 A C 2.111 179.771 177.584 0.128 0.000 1.186 259 A CA 1.466 53.520 52.037 0.027 0.000 0.620 259 A CB -0.583 18.418 19.000 0.003 0.000 0.822 259 A HN 0.337 nan 8.150 nan 0.000 0.443 260 I N -0.012 120.666 120.570 0.180 0.000 2.202 260 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 260 I C 2.162 178.491 176.117 0.354 0.000 1.091 260 I CA 1.157 62.654 61.300 0.329 0.000 1.368 260 I CB -0.457 37.815 38.000 0.454 0.000 1.058 260 I HN 0.300 nan 8.210 nan 0.000 0.410 261 N N 0.236 119.124 118.700 0.314 0.000 2.084 261 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 261 N C 2.016 177.618 175.510 0.153 0.000 1.030 261 N CA 1.693 54.899 53.050 0.261 0.000 0.849 261 N CB -0.456 38.181 38.487 0.249 0.000 1.012 261 N HN 0.209 nan 8.380 nan 0.000 0.423 262 S N -0.231 115.546 115.700 0.128 0.000 2.368 262 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 262 S C 1.954 176.627 174.600 0.122 0.000 1.029 262 S CA 0.581 58.836 58.200 0.092 0.000 0.988 262 S CB -0.456 62.783 63.200 0.066 0.000 0.838 262 S HN 0.419 nan 8.310 nan 0.000 0.462 263 Y N 1.969 122.293 120.300 0.041 0.000 2.165 263 Y HA -0.089 4.460 4.550 -0.001 0.000 0.286 263 Y C 1.844 177.759 175.900 0.024 0.000 1.155 263 Y CA 1.750 59.871 58.100 0.034 0.000 1.164 263 Y CB -0.517 37.973 38.460 0.050 0.000 0.978 263 Y HN 0.269 nan 8.280 nan 0.000 0.513 264 L N -0.408 120.803 121.223 -0.020 0.000 2.056 264 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 264 L C 2.537 179.324 176.870 -0.138 0.000 1.078 264 L CA 1.459 56.212 54.840 -0.145 0.000 0.749 264 L CB -0.449 41.580 42.059 -0.050 0.000 0.901 264 L HN 0.049 nan 8.230 nan 0.000 0.433 265 R N -0.021 120.442 120.500 -0.063 0.000 2.193 265 R HA -0.095 4.244 4.340 -0.000 0.000 0.229 265 R C 1.078 177.333 176.300 -0.075 0.000 1.110 265 R CA 0.814 56.877 56.100 -0.063 0.000 0.988 265 R CB -0.236 30.049 30.300 -0.025 0.000 0.871 265 R HN 0.331 nan 8.270 nan 0.000 0.458 266 N N 0.782 119.429 118.700 -0.088 0.000 2.313 266 N HA 0.016 4.756 4.740 -0.000 0.000 0.207 266 N C -0.706 174.719 175.510 -0.142 0.000 1.141 266 N CA 0.148 53.145 53.050 -0.087 0.000 0.830 266 N CB 0.072 38.534 38.487 -0.042 0.000 1.008 266 N HN 0.177 nan 8.380 nan 0.000 0.481 267 N N 1.011 119.602 118.700 -0.182 0.000 2.735 267 N HA -0.250 4.490 4.740 -0.000 0.000 0.248 267 N C -0.897 174.446 175.510 -0.279 0.000 1.083 267 N CA 0.405 53.337 53.050 -0.197 0.000 0.703 267 N CB -0.870 37.542 38.487 -0.124 0.000 1.005 267 N HN 0.290 nan 8.380 nan 0.000 0.550 268 R N -3.290 116.889 120.500 -0.536 0.000 3.416 268 R HA -0.197 4.143 4.340 -0.000 0.000 0.263 268 R C -0.690 175.453 176.300 -0.260 0.000 1.053 268 R CA 1.176 56.753 56.100 -0.871 0.000 0.705 268 R CB -2.421 27.507 30.300 -0.621 0.000 1.124 268 R HN 0.349 nan 8.270 nan 0.000 0.444 269 V N -1.593 118.247 119.914 -0.123 0.000 2.483 269 V HA 0.669 4.788 4.120 -0.000 0.000 0.297 269 V C -1.535 174.606 176.094 0.078 0.000 1.027 269 V CA -2.013 60.297 62.300 0.015 0.000 0.855 269 V CB 2.040 33.853 31.823 -0.017 0.000 0.995 269 V HN -0.008 nan 8.190 nan 0.000 0.424 270 P HA 0.323 nan 4.420 nan 0.000 0.281 270 P C -0.351 177.086 177.300 0.228 0.000 1.249 270 P CA -0.396 62.776 63.100 0.121 0.000 0.810 270 P CB 0.782 32.531 31.700 0.081 0.000 1.008 271 N N 2.028 120.836 118.700 0.179 0.000 2.357 271 N HA -0.068 4.672 4.740 -0.000 0.000 0.257 271 N C -0.173 175.426 175.510 0.148 0.000 1.250 271 N CA 0.566 53.750 53.050 0.222 0.000 0.862 271 N CB -0.140 38.423 38.487 0.125 0.000 1.066 271 N HN 0.308 nan 8.380 nan 0.000 0.468 272 N N 2.727 121.485 118.700 0.098 0.000 2.576 272 N HA 0.170 4.910 4.740 -0.000 0.000 0.269 272 N C -0.594 174.850 175.510 -0.109 0.000 1.058 272 N CA -0.473 52.490 53.050 -0.145 0.000 0.860 272 N CB 0.842 39.014 38.487 -0.525 0.000 1.249 272 N HN 0.496 nan 8.380 nan 0.000 0.525 273 D N 1.797 122.176 120.400 -0.034 0.000 2.144 273 D HA -0.206 4.434 4.640 -0.000 0.000 0.199 273 D C 1.496 177.784 176.300 -0.020 0.000 0.984 273 D CA 1.284 55.282 54.000 -0.004 0.000 0.834 273 D CB 0.383 41.188 40.800 0.009 0.000 0.955 273 D HN 0.836 nan 8.370 nan 0.000 0.465 274 E N 0.398 120.569 120.200 -0.048 0.000 2.077 274 E HA -0.175 4.174 4.350 -0.000 0.000 0.193 274 E C 2.001 178.570 176.600 -0.050 0.000 0.989 274 E CA 0.732 57.109 56.400 -0.039 0.000 0.800 274 E CB -0.318 29.357 29.700 -0.041 0.000 0.746 274 E HN 0.037 nan 8.360 nan 0.000 0.452 275 L N 1.870 123.009 121.223 -0.140 0.000 2.046 275 L HA -0.138 4.201 4.340 -0.000 0.000 0.208 275 L C 2.014 178.885 176.870 0.002 0.000 1.077 275 L CA 1.598 56.345 54.840 -0.154 0.000 0.747 275 L CB -1.112 40.642 42.059 -0.509 0.000 0.896 275 L HN 0.218 nan 8.230 nan 0.000 0.432 276 N N -0.065 118.655 118.700 0.032 0.000 2.060 276 N HA -0.234 4.506 4.740 -0.000 0.000 0.195 276 N C 1.820 177.389 175.510 0.099 0.000 1.028 276 N CA 1.383 54.512 53.050 0.132 0.000 0.861 276 N CB -0.197 38.361 38.487 0.119 0.000 1.029 276 N HN 0.359 nan 8.380 nan 0.000 0.428 277 K N 1.003 121.440 120.400 0.062 0.000 2.026 277 K HA -0.029 4.291 4.320 -0.000 0.000 0.208 277 K C 2.017 178.658 176.600 0.068 0.000 1.048 277 K CA 1.131 57.452 56.287 0.056 0.000 0.929 277 K CB 0.002 32.524 32.500 0.037 0.000 0.713 277 K HN 0.194 nan 8.250 nan 0.000 0.439 278 K N 0.586 121.028 120.400 0.070 0.000 2.032 278 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 278 K C 2.150 178.821 176.600 0.119 0.000 1.048 278 K CA 1.520 57.858 56.287 0.084 0.000 0.927 278 K CB -0.283 32.270 32.500 0.088 0.000 0.712 278 K HN 0.100 nan 8.250 nan 0.000 0.441 279 I N 1.281 121.957 120.570 0.176 0.000 2.179 279 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 279 I C 2.677 178.927 176.117 0.221 0.000 1.088 279 I CA 1.315 62.780 61.300 0.275 0.000 1.357 279 I CB -0.252 37.925 38.000 0.296 0.000 1.051 279 I HN 0.268 nan 8.210 nan 0.000 0.409 280 E N 0.828 121.114 120.200 0.143 0.000 2.070 280 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 280 E C 2.174 178.830 176.600 0.094 0.000 1.004 280 E CA 1.489 57.952 56.400 0.105 0.000 0.805 280 E CB 0.032 29.778 29.700 0.077 0.000 0.744 280 E HN 0.223 nan 8.360 nan 0.000 0.451 281 L N 0.607 121.878 121.223 0.081 0.000 2.141 281 L HA -0.089 4.250 4.340 -0.000 0.000 0.209 281 L C 2.186 179.082 176.870 0.042 0.000 1.094 281 L CA 1.303 56.178 54.840 0.058 0.000 0.763 281 L CB -0.535 41.554 42.059 0.049 0.000 0.908 281 L HN 0.290 nan 8.230 nan 0.000 0.437 282 I N -1.752 118.835 120.570 0.028 0.000 2.315 282 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 282 I C 2.390 178.515 176.117 0.013 0.000 1.117 282 I CA 0.842 62.088 61.300 -0.090 0.000 1.404 282 I CB -0.328 37.429 38.000 -0.404 0.000 1.071 282 I HN 0.093 nan 8.210 nan 0.000 0.419 283 S N -0.079 115.727 115.700 0.176 0.000 2.368 283 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 283 S C 2.208 176.881 174.600 0.121 0.000 1.029 283 S CA 1.640 59.966 58.200 0.210 0.000 0.988 283 S CB -0.293 63.015 63.200 0.180 0.000 0.838 283 S HN 0.486 nan 8.310 nan 0.000 0.462 284 S N 1.698 117.454 115.700 0.094 0.000 2.370 284 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 284 S C 2.046 176.696 174.600 0.084 0.000 1.033 284 S CA 1.394 59.639 58.200 0.075 0.000 1.011 284 S CB -0.505 62.730 63.200 0.058 0.000 0.852 284 S HN 0.524 nan 8.310 nan 0.000 0.457 285 A N 1.234 124.102 122.820 0.081 0.000 1.902 285 A HA 0.075 4.394 4.320 -0.000 0.000 0.217 285 A C 2.190 179.905 177.584 0.219 0.000 1.181 285 A CA 1.453 53.558 52.037 0.113 0.000 0.623 285 A CB -0.745 18.301 19.000 0.076 0.000 0.818 285 A HN 0.600 nan 8.150 nan 0.000 0.443 286 L N 0.442 121.762 121.223 0.162 0.000 2.376 286 L HA -0.070 4.270 4.340 -0.000 0.000 0.219 286 L C 2.206 179.173 176.870 0.162 0.000 1.133 286 L CA 1.162 56.098 54.840 0.161 0.000 0.816 286 L CB -0.166 41.952 42.059 0.098 0.000 0.933 286 L HN 0.560 nan 8.230 nan 0.000 0.449 287 S N -2.464 113.325 115.700 0.148 0.000 2.556 287 S HA 0.059 4.528 4.470 -0.000 0.000 0.216 287 S C 1.631 176.315 174.600 0.140 0.000 0.970 287 S CA -0.243 58.032 58.200 0.126 0.000 0.912 287 S CB 0.135 63.389 63.200 0.089 0.000 0.790 287 S HN 0.072 nan 8.310 nan 0.000 0.504 288 V N 1.317 121.346 119.914 0.192 0.000 2.343 288 V HA 0.019 4.139 4.120 -0.000 0.000 0.247 288 V C 1.383 177.595 176.094 0.197 0.000 1.051 288 V CA 1.640 64.051 62.300 0.185 0.000 1.036 288 V CB -0.456 31.484 31.823 0.194 0.000 0.654 288 V HN 0.537 nan 8.190 nan 0.000 0.451 289 K N 0.289 120.855 120.400 0.276 0.000 2.753 289 K HA 0.309 4.628 4.320 -0.000 0.000 0.185 289 K C -2.813 173.896 176.600 0.183 0.000 1.071 289 K CA -1.912 54.479 56.287 0.174 0.000 0.999 289 K CB 1.472 34.064 32.500 0.153 0.000 1.244 289 K HN 0.168 nan 8.250 nan 0.000 0.594 290 P HA -0.094 nan 4.420 nan 0.000 0.267 290 P C 0.025 177.442 177.300 0.195 0.000 1.201 290 P CA -0.196 62.992 63.100 0.146 0.000 0.775 290 P CB 0.375 32.132 31.700 0.096 0.000 0.854 291 I N 4.751 125.462 120.570 0.235 0.000 3.015 291 I HA -0.126 4.043 4.170 -0.000 0.000 0.309 291 I C -1.016 175.235 176.117 0.223 0.000 1.229 291 I CA -0.288 61.198 61.300 0.310 0.000 1.430 291 I CB -0.277 37.867 38.000 0.241 0.000 1.347 291 I HN 0.384 nan 8.210 nan 0.000 0.544 292 P HA -0.042 nan 4.420 nan 0.000 0.235 292 P C -0.193 177.187 177.300 0.134 0.000 1.177 292 P CA 0.758 63.920 63.100 0.102 0.000 0.785 292 P CB 0.580 32.264 31.700 -0.026 0.000 0.885 293 Q N -2.459 117.477 119.800 0.226 0.000 2.472 293 Q HA 0.407 4.747 4.340 -0.000 0.000 0.281 293 Q C -1.308 174.790 176.000 0.164 0.000 0.997 293 Q CA -0.821 55.091 55.803 0.181 0.000 0.828 293 Q CB 0.313 29.177 28.738 0.210 0.000 1.443 293 Q HN -0.353 nan 8.270 nan 0.000 0.390 294 T N 2.874 117.477 114.554 0.083 0.000 2.867 294 T HA 0.428 4.778 4.350 -0.000 0.000 0.297 294 T C -0.027 174.660 174.700 -0.022 0.000 0.989 294 T CA 0.085 62.199 62.100 0.025 0.000 1.159 294 T CB -0.335 68.531 68.868 -0.003 0.000 0.928 294 T HN 0.490 nan 8.240 nan 0.000 0.538 295 L N 1.051 122.223 121.223 -0.086 0.000 2.630 295 L HA 0.742 5.082 4.340 -0.000 0.000 0.258 295 L C -1.440 175.292 176.870 -0.230 0.000 1.072 295 L CA -1.457 53.261 54.840 -0.202 0.000 0.885 295 L CB 1.480 43.333 42.059 -0.343 0.000 1.502 295 L HN 0.227 nan 8.230 nan 0.000 0.406 296 I N 1.815 122.202 120.570 -0.305 0.000 2.353 296 I HA 0.756 4.926 4.170 -0.000 0.000 0.293 296 I C 0.350 176.250 176.117 -0.363 0.000 0.992 296 I CA -0.206 60.886 61.300 -0.347 0.000 1.268 296 I CB 0.988 38.757 38.000 -0.385 0.000 1.387 296 I HN 0.897 nan 8.210 nan 0.000 0.478 297 A N 6.444 129.027 122.820 -0.395 0.000 2.479 297 A HA 0.839 5.159 4.320 -0.000 0.000 0.296 297 A C -1.742 175.587 177.584 -0.425 0.000 1.121 297 A CA -0.470 51.410 52.037 -0.263 0.000 0.743 297 A CB 1.502 20.419 19.000 -0.138 0.000 1.323 297 A HN 0.550 nan 8.150 nan 0.000 0.415 298 Y N -0.328 119.967 120.300 -0.008 0.000 2.446 298 Y HA 0.728 5.277 4.550 -0.000 0.000 0.345 298 Y C 0.342 176.252 175.900 0.018 0.000 0.984 298 Y CA -0.414 57.703 58.100 0.028 0.000 1.058 298 Y CB 2.271 40.778 38.460 0.079 0.000 1.220 298 Y HN 0.731 nan 8.280 nan 0.000 0.455 299 R N 3.101 123.727 120.500 0.209 0.000 2.507 299 R HA 0.443 4.783 4.340 -0.000 0.000 0.298 299 R C -1.330 175.112 176.300 0.236 0.000 1.087 299 R CA -0.659 55.542 56.100 0.169 0.000 0.917 299 R CB 0.787 31.172 30.300 0.140 0.000 1.173 299 R HN 0.783 nan 8.270 nan 0.000 0.472 300 R N 2.736 123.308 120.500 0.120 0.000 2.308 300 R HA 0.356 4.696 4.340 -0.000 0.000 0.305 300 R C -0.029 176.336 176.300 0.108 0.000 1.053 300 R CA -0.430 55.742 56.100 0.121 0.000 0.957 300 R CB 1.497 31.865 30.300 0.113 0.000 1.022 300 R HN 0.446 nan 8.270 nan 0.000 0.461 301 V N -1.257 118.778 119.914 0.203 0.000 3.167 301 V HA 0.510 4.630 4.120 -0.000 0.000 0.310 301 V C -0.632 175.637 176.094 0.291 0.000 1.207 301 V CA -1.084 61.342 62.300 0.210 0.000 1.059 301 V CB 2.093 34.062 31.823 0.244 0.000 1.079 301 V HN 0.804 nan 8.190 nan 0.000 0.446 302 D N 0.729 121.255 120.400 0.211 0.000 2.530 302 D HA 0.444 5.084 4.640 -0.000 0.000 0.282 302 D C 1.349 177.621 176.300 -0.046 0.000 1.204 302 D CA 0.292 54.447 54.000 0.257 0.000 1.093 302 D CB 0.534 41.447 40.800 0.188 0.000 1.154 302 D HN 0.813 nan 8.370 nan 0.000 0.593 303 G N -0.550 108.220 108.800 -0.050 0.000 2.443 303 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.219 303 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.219 303 G C 1.450 176.196 174.900 -0.257 0.000 1.131 303 G CA 0.561 45.446 45.100 -0.359 0.000 0.775 303 G HN 0.393 nan 8.290 nan 0.000 0.547 304 I N 2.168 122.647 120.570 -0.153 0.000 2.113 304 I HA -0.149 4.020 4.170 -0.000 0.000 0.242 304 I C -0.039 175.933 176.117 -0.240 0.000 1.064 304 I CA 1.068 62.287 61.300 -0.135 0.000 1.320 304 I CB -2.164 35.792 38.000 -0.073 0.000 1.028 304 I HN 0.140 nan 8.210 nan 0.000 0.406 305 P HA -0.118 nan 4.420 nan 0.000 0.228 305 P C 1.091 177.866 177.300 -0.874 0.000 1.151 305 P CA 1.207 63.920 63.100 -0.645 0.000 0.770 305 P CB -0.201 31.011 31.700 -0.814 0.000 0.786 306 F N -1.156 118.569 119.950 -0.375 0.000 2.654 306 F HA 0.202 4.728 4.527 -0.001 0.000 0.303 306 F C 0.442 176.246 175.800 0.006 0.000 1.099 306 F CA -0.514 57.232 58.000 -0.424 0.000 1.270 306 F CB -0.499 38.092 39.000 -0.680 0.000 1.024 306 F HN -0.202 nan 8.300 nan 0.000 0.548 307 D N 1.360 121.796 120.400 0.060 0.000 2.800 307 D HA -0.191 4.449 4.640 -0.000 0.000 0.232 307 D C -0.295 176.030 176.300 0.041 0.000 1.137 307 D CA 0.653 54.699 54.000 0.077 0.000 0.718 307 D CB -1.340 39.552 40.800 0.153 0.000 1.084 307 D HN 0.296 nan 8.370 nan 0.000 0.432 308 L N -0.688 120.514 121.223 -0.036 0.000 2.341 308 L HA 0.485 4.825 4.340 -0.000 0.000 0.267 308 L C -2.068 174.792 176.870 -0.017 0.000 1.009 308 L CA -2.075 52.698 54.840 -0.112 0.000 0.819 308 L CB 1.775 43.581 42.059 -0.421 0.000 1.323 308 L HN -0.343 nan 8.230 nan 0.000 0.425 309 P HA -0.038 nan 4.420 nan 0.000 0.265 309 P C 0.472 177.851 177.300 0.131 0.000 1.187 309 P CA 0.064 63.235 63.100 0.118 0.000 0.766 309 P CB 0.679 32.485 31.700 0.177 0.000 0.820 310 S N 1.741 117.497 115.700 0.094 0.000 2.370 310 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 310 S C 1.237 175.925 174.600 0.147 0.000 1.033 310 S CA 1.616 59.879 58.200 0.105 0.000 1.011 310 S CB -0.905 62.341 63.200 0.077 0.000 0.852 310 S HN 0.605 nan 8.310 nan 0.000 0.457 311 D N 0.376 120.849 120.400 0.122 0.000 2.323 311 D HA 0.032 4.671 4.640 -0.000 0.000 0.239 311 D C 0.167 176.524 176.300 0.095 0.000 1.129 311 D CA -0.708 53.349 54.000 0.095 0.000 0.865 311 D CB -1.122 39.710 40.800 0.052 0.000 0.913 311 D HN 0.477 nan 8.370 nan 0.000 0.517 312 F N 1.709 121.657 119.950 -0.002 0.000 2.623 312 F HA 0.081 4.608 4.527 0.001 0.000 0.383 312 F C 0.436 176.140 175.800 -0.160 0.000 1.077 312 F CA 0.276 58.234 58.000 -0.069 0.000 1.268 312 F CB 0.713 39.683 39.000 -0.051 0.000 1.053 312 F HN -0.140 nan 8.300 nan 0.000 0.571 313 S N 5.143 120.333 115.700 -0.849 0.000 2.501 313 S HA 0.429 4.899 4.470 -0.000 0.000 0.301 313 S C 0.159 174.223 174.600 -0.894 0.000 1.096 313 S CA -0.700 57.112 58.200 -0.647 0.000 1.063 313 S CB 0.664 63.654 63.200 -0.349 0.000 1.042 313 S HN 0.588 nan 8.310 nan 0.000 0.494 314 F N 1.898 121.608 119.950 -0.400 0.000 2.732 314 F HA 0.365 4.892 4.527 -0.000 0.000 0.303 314 F C 0.681 176.357 175.800 -0.207 0.000 1.110 314 F CA -0.336 57.495 58.000 -0.283 0.000 1.355 314 F CB 0.184 39.042 39.000 -0.238 0.000 1.081 314 F HN 0.495 nan 8.300 nan 0.000 0.565 315 D N -0.267 120.086 120.400 -0.079 0.000 2.326 315 D HA 0.506 5.145 4.640 -0.000 0.000 0.248 315 D C -0.531 175.716 176.300 -0.089 0.000 1.001 315 D CA -0.551 53.411 54.000 -0.063 0.000 0.961 315 D CB 1.211 41.974 40.800 -0.061 0.000 1.183 315 D HN 0.037 nan 8.370 nan 0.000 0.502 316 K N -0.367 119.999 120.400 -0.057 0.000 2.532 316 K HA 0.458 4.778 4.320 -0.000 0.000 0.265 316 K C -1.211 175.367 176.600 -0.036 0.000 0.948 316 K CA -1.189 55.067 56.287 -0.052 0.000 0.842 316 K CB 1.414 33.891 32.500 -0.039 0.000 1.392 316 K HN -0.061 nan 8.250 nan 0.000 0.436 317 K N 2.108 122.488 120.400 -0.033 0.000 2.383 317 K HA 0.110 4.430 4.320 -0.000 0.000 0.286 317 K C -0.667 175.923 176.600 -0.017 0.000 1.051 317 K CA 0.061 56.334 56.287 -0.024 0.000 0.974 317 K CB 0.701 33.187 32.500 -0.023 0.000 0.968 317 K HN 0.651 nan 8.250 nan 0.000 0.475 318 E N 3.701 123.893 120.200 -0.014 0.000 2.361 318 E HA 0.059 4.409 4.350 -0.000 0.000 0.270 318 E C -0.635 175.960 176.600 -0.008 0.000 0.911 318 E CA -0.226 56.169 56.400 -0.009 0.000 0.818 318 E CB 0.372 30.067 29.700 -0.007 0.000 1.332 318 E HN 0.576 nan 8.360 nan 0.000 0.402 319 N N 3.189 121.885 118.700 -0.007 0.000 2.829 319 N HA -0.247 4.493 4.740 -0.000 0.000 0.250 319 N C 0.609 176.115 175.510 -0.007 0.000 1.090 319 N CA 2.166 55.213 53.050 -0.006 0.000 0.781 319 N CB -1.146 37.338 38.487 -0.005 0.000 1.124 319 N HN 0.943 nan 8.380 nan 0.000 0.559 320 G N -1.219 107.575 108.800 -0.009 0.000 3.211 320 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.206 320 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.206 320 G C -0.096 174.797 174.900 -0.012 0.000 1.418 320 G CA 0.372 45.466 45.100 -0.010 0.000 0.958 320 G HN 0.549 nan 8.290 nan 0.000 0.567 321 E N 1.210 121.403 120.200 -0.012 0.000 2.391 321 E HA 0.525 4.874 4.350 -0.000 0.000 0.255 321 E C 0.615 177.205 176.600 -0.016 0.000 1.187 321 E CA 0.122 56.514 56.400 -0.013 0.000 0.941 321 E CB 0.772 30.465 29.700 -0.012 0.000 1.010 321 E HN 0.968 nan 8.360 nan 0.000 0.458 322 I N -0.428 120.131 120.570 -0.018 0.000 2.315 322 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 322 I C -0.461 175.644 176.117 -0.020 0.000 1.006 322 I CA -0.588 60.699 61.300 -0.022 0.000 1.265 322 I CB 0.320 38.304 38.000 -0.027 0.000 1.387 322 I HN 0.459 nan 8.210 nan 0.000 0.475 323 I N 3.333 123.892 120.570 -0.019 0.000 3.002 323 I HA 0.946 5.116 4.170 -0.000 0.000 0.310 323 I C 0.231 176.338 176.117 -0.016 0.000 1.087 323 I CA -1.197 60.094 61.300 -0.016 0.000 1.017 323 I CB 1.885 39.879 38.000 -0.010 0.000 1.226 323 I HN 0.735 nan 8.210 nan 0.000 0.443 324 A N 1.900 124.712 122.820 -0.014 0.000 2.498 324 A HA 0.134 4.454 4.320 -0.000 0.000 0.239 324 A C -0.201 177.386 177.584 0.006 0.000 1.068 324 A CA 0.141 52.172 52.037 -0.009 0.000 0.766 324 A CB -0.115 18.871 19.000 -0.023 0.000 1.003 324 A HN 0.777 nan 8.150 nan 0.000 0.497 325 D N 1.855 122.272 120.400 0.028 0.000 2.456 325 D HA 0.172 4.812 4.640 -0.000 0.000 0.219 325 D C 0.908 177.255 176.300 0.077 0.000 1.126 325 D CA -0.247 53.780 54.000 0.046 0.000 0.890 325 D CB 0.571 41.394 40.800 0.037 0.000 1.025 325 D HN 0.460 nan 8.370 nan 0.000 0.511 326 K N 2.333 122.764 120.400 0.052 0.000 2.097 326 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 326 K C 1.647 178.298 176.600 0.085 0.000 1.049 326 K CA 0.829 57.146 56.287 0.050 0.000 0.933 326 K CB 0.146 32.666 32.500 0.033 0.000 0.717 326 K HN 0.524 nan 8.250 nan 0.000 0.442 327 Q N 1.169 121.026 119.800 0.094 0.000 2.050 327 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 327 Q C 1.983 178.091 176.000 0.180 0.000 0.980 327 Q CA 1.638 57.509 55.803 0.114 0.000 0.840 327 Q CB 0.135 28.929 28.738 0.094 0.000 0.898 327 Q HN 0.205 nan 8.270 nan 0.000 0.424 328 K N -0.025 120.511 120.400 0.227 0.000 2.026 328 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 328 K C 2.140 179.037 176.600 0.495 0.000 1.048 328 K CA 1.202 57.723 56.287 0.389 0.000 0.929 328 K CB -0.141 32.597 32.500 0.397 0.000 0.713 328 K HN 0.199 nan 8.250 nan 0.000 0.439 329 L N 1.270 122.694 121.223 0.335 0.000 1.990 329 L HA -0.281 4.059 4.340 -0.000 0.000 0.213 329 L C 2.092 179.076 176.870 0.191 0.000 1.072 329 L CA 1.218 56.141 54.840 0.138 0.000 0.755 329 L CB -0.717 41.310 42.059 -0.054 0.000 0.889 329 L HN 0.242 nan 8.230 nan 0.000 0.432 330 N N 0.126 118.918 118.700 0.153 0.000 2.069 330 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 330 N C 1.778 177.388 175.510 0.167 0.000 1.031 330 N CA 1.471 54.599 53.050 0.130 0.000 0.852 330 N CB -0.245 38.300 38.487 0.096 0.000 1.018 330 N HN 0.452 nan 8.380 nan 0.000 0.423 331 E N -0.516 119.811 120.200 0.212 0.000 2.150 331 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 331 E C 1.589 178.352 176.600 0.271 0.000 0.985 331 E CA 0.429 56.954 56.400 0.208 0.000 0.814 331 E CB -0.153 29.675 29.700 0.213 0.000 0.752 331 E HN 0.301 nan 8.360 nan 0.000 0.466 332 F N 1.237 121.351 119.950 0.273 0.000 2.128 332 F HA -0.110 4.417 4.527 -0.000 0.000 0.295 332 F C 1.943 177.927 175.800 0.306 0.000 1.100 332 F CA 1.164 59.385 58.000 0.369 0.000 1.260 332 F CB 0.006 39.304 39.000 0.496 0.000 1.009 332 F HN -0.112 nan 8.300 nan 0.000 0.476 333 I N 0.272 121.008 120.570 0.277 0.000 2.226 333 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 333 I C 1.843 178.001 176.117 0.069 0.000 1.100 333 I CA 1.539 62.928 61.300 0.149 0.000 1.374 333 I CB -0.581 37.497 38.000 0.130 0.000 1.057 333 I HN 0.088 nan 8.210 nan 0.000 0.413 334 D N 0.637 121.076 120.400 0.064 0.000 2.178 334 D HA -0.170 4.470 4.640 -0.000 0.000 0.202 334 D C 2.089 178.361 176.300 -0.047 0.000 0.974 334 D CA 1.048 55.069 54.000 0.034 0.000 0.841 334 D CB -0.132 40.696 40.800 0.047 0.000 0.953 334 D HN 0.277 nan 8.370 nan 0.000 0.478 335 K N -0.837 119.487 120.400 -0.127 0.000 2.103 335 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 335 K C 1.499 177.779 176.600 -0.533 0.000 1.052 335 K CA 0.795 56.866 56.287 -0.360 0.000 0.945 335 K CB 0.013 32.240 32.500 -0.454 0.000 0.722 335 K HN 0.147 nan 8.250 nan 0.000 0.443 336 W N 0.920 122.068 121.300 -0.253 0.000 3.013 336 W HA 0.155 4.814 4.660 -0.001 0.000 0.280 336 W C 0.155 176.640 176.519 -0.056 0.000 1.249 336 W CA -0.352 56.859 57.345 -0.223 0.000 1.577 336 W CB 0.277 29.405 29.460 -0.554 0.000 1.057 336 W HN -0.228 nan 8.180 nan 0.000 0.613 337 T N 0.906 115.544 114.554 0.140 0.000 2.867 337 T HA 0.324 4.674 4.350 -0.000 0.000 0.297 337 T C 1.166 175.962 174.700 0.160 0.000 0.989 337 T CA 1.464 63.660 62.100 0.161 0.000 1.159 337 T CB 0.272 69.223 68.868 0.139 0.000 0.928 337 T HN 0.485 nan 8.240 nan 0.000 0.538 338 G N 2.885 111.808 108.800 0.205 0.000 2.175 338 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 338 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 338 G C 0.196 175.198 174.900 0.171 0.000 0.982 338 G CA -0.262 44.949 45.100 0.184 0.000 0.641 338 G HN 0.605 nan 8.290 nan 0.000 0.527 339 K N 0.819 121.350 120.400 0.217 0.000 2.118 339 K HA 0.492 4.811 4.320 -0.000 0.000 0.264 339 K C -0.013 176.761 176.600 0.289 0.000 1.000 339 K CA -0.353 56.074 56.287 0.232 0.000 0.929 339 K CB 1.191 33.867 32.500 0.293 0.000 1.021 339 K HN 0.431 nan 8.250 nan 0.000 0.463 340 E N 1.719 122.054 120.200 0.225 0.000 2.151 340 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 340 E C -0.458 176.246 176.600 0.173 0.000 0.936 340 E CA -0.597 55.912 56.400 0.181 0.000 0.777 340 E CB 1.179 30.936 29.700 0.094 0.000 1.108 340 E HN 0.230 nan 8.360 nan 0.000 0.401 341 I N 2.903 123.546 120.570 0.122 0.000 2.297 341 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 341 I C 0.466 176.436 176.117 -0.245 0.000 1.033 341 I CA -0.436 60.847 61.300 -0.028 0.000 1.253 341 I CB 0.688 38.673 38.000 -0.025 0.000 1.396 341 I HN 0.660 nan 8.210 nan 0.000 0.476 342 E N 7.342 127.420 120.200 -0.204 0.000 2.344 342 E HA 0.098 4.448 4.350 -0.000 0.000 0.270 342 E C -0.633 175.753 176.600 -0.356 0.000 1.021 342 E CA -0.184 56.065 56.400 -0.253 0.000 0.887 342 E CB 0.609 30.216 29.700 -0.154 0.000 0.997 342 E HN 0.455 nan 8.360 nan 0.000 0.429 343 N N 5.853 124.299 118.700 -0.422 0.000 2.626 343 N HA 0.084 4.823 4.740 -0.000 0.000 0.249 343 N C 0.025 175.369 175.510 -0.278 0.000 1.021 343 N CA -0.334 52.482 53.050 -0.391 0.000 0.886 343 N CB 1.308 39.457 38.487 -0.562 0.000 1.149 343 N HN 0.516 nan 8.380 nan 0.000 0.517 344 L N 0.449 121.544 121.223 -0.214 0.000 2.141 344 L HA 0.028 4.368 4.340 -0.000 0.000 0.209 344 L C 1.405 178.145 176.870 -0.217 0.000 1.094 344 L CA 1.515 56.238 54.840 -0.195 0.000 0.763 344 L CB -0.499 41.468 42.059 -0.153 0.000 0.908 344 L HN 0.351 nan 8.230 nan 0.000 0.437 345 S N -2.123 113.476 115.700 -0.167 0.000 2.738 345 S HA 0.403 4.873 4.470 -0.000 0.000 0.284 345 S C -0.137 174.338 174.600 -0.208 0.000 1.146 345 S CA -0.780 57.330 58.200 -0.149 0.000 0.997 345 S CB 0.353 63.599 63.200 0.077 0.000 1.081 345 S HN -0.013 nan 8.310 nan 0.000 0.553 346 F N 1.833 121.780 119.950 -0.005 0.000 2.589 346 F HA 0.203 4.730 4.527 -0.001 0.000 0.352 346 F C 1.026 176.839 175.800 0.022 0.000 1.168 346 F CA 0.249 58.216 58.000 -0.055 0.000 1.353 346 F CB 0.444 39.306 39.000 -0.231 0.000 1.116 346 F HN 0.306 nan 8.300 nan 0.000 0.608 347 S N 0.945 116.756 115.700 0.186 0.000 2.519 347 S HA 0.337 4.807 4.470 -0.000 0.000 0.309 347 S C -0.468 174.215 174.600 0.137 0.000 1.100 347 S CA -0.944 57.352 58.200 0.159 0.000 1.059 347 S CB 1.614 64.922 63.200 0.180 0.000 1.008 347 S HN 0.577 nan 8.310 nan 0.000 0.478 348 S N 2.006 117.774 115.700 0.113 0.000 2.549 348 S HA 0.600 5.070 4.470 -0.000 0.000 0.279 348 S C -0.121 174.498 174.600 0.031 0.000 1.321 348 S CA 0.132 58.361 58.200 0.048 0.000 1.054 348 S CB 0.433 63.641 63.200 0.013 0.000 0.899 348 S HN 0.737 nan 8.310 nan 0.000 0.497 349 T N 2.418 116.974 114.554 0.004 0.000 2.894 349 T HA 0.561 4.911 4.350 -0.000 0.000 0.309 349 T C -1.341 173.366 174.700 0.011 0.000 1.208 349 T CA -0.523 61.581 62.100 0.006 0.000 1.016 349 T CB 1.760 70.618 68.868 -0.016 0.000 1.192 349 T HN 0.550 nan 8.240 nan 0.000 0.491 350 S N 1.181 116.922 115.700 0.068 0.000 2.570 350 S HA 0.566 5.036 4.470 -0.000 0.000 0.286 350 S C 0.982 175.691 174.600 0.181 0.000 1.099 350 S CA -0.789 57.469 58.200 0.098 0.000 0.913 350 S CB 1.066 64.335 63.200 0.116 0.000 1.085 350 S HN 0.647 nan 8.310 nan 0.000 0.480 351 L N 1.583 122.926 121.223 0.201 0.000 2.275 351 L HA 0.058 4.398 4.340 -0.000 0.000 0.215 351 L C 0.600 177.652 176.870 0.304 0.000 1.119 351 L CA 1.027 56.028 54.840 0.269 0.000 0.790 351 L CB -0.288 41.920 42.059 0.248 0.000 0.919 351 L HN 0.516 nan 8.230 nan 0.000 0.443 352 K N -0.121 120.399 120.400 0.200 0.000 2.227 352 K HA 0.083 4.402 4.320 -0.000 0.000 0.280 352 K C 1.305 177.892 176.600 -0.021 0.000 1.041 352 K CA 0.031 56.369 56.287 0.085 0.000 0.905 352 K CB 1.526 34.070 32.500 0.074 0.000 1.068 352 K HN -0.039 nan 8.250 nan 0.000 0.470 353 S N 1.326 116.793 115.700 -0.389 0.000 2.402 353 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 353 S C 0.783 175.272 174.600 -0.185 0.000 1.021 353 S CA 0.755 58.483 58.200 -0.788 0.000 0.974 353 S CB 0.041 62.602 63.200 -1.067 0.000 0.800 353 S HN 0.548 nan 8.310 nan 0.000 0.484 354 T N 3.183 117.687 114.554 -0.083 0.000 3.542 354 T HA 0.416 4.766 4.350 -0.000 0.000 0.276 354 T C -3.100 171.638 174.700 0.064 0.000 1.412 354 T CA -1.228 60.883 62.100 0.019 0.000 1.664 354 T CB 1.251 70.110 68.868 -0.015 0.000 0.863 354 T HN 0.185 nan 8.240 nan 0.000 0.661 355 P HA 0.079 nan 4.420 nan 0.000 0.264 355 P C 1.187 178.531 177.300 0.074 0.000 1.193 355 P CA 0.100 63.289 63.100 0.148 0.000 0.763 355 P CB 0.747 32.638 31.700 0.319 0.000 0.810 356 S N 1.277 116.967 115.700 -0.017 0.000 2.382 356 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 356 S C 1.744 176.256 174.600 -0.146 0.000 1.027 356 S CA 1.453 59.618 58.200 -0.058 0.000 0.991 356 S CB -1.266 61.901 63.200 -0.056 0.000 0.823 356 S HN 0.375 nan 8.310 nan 0.000 0.469 357 S N 1.198 116.717 115.700 -0.301 0.000 2.462 357 S HA 0.038 4.508 4.470 -0.000 0.000 0.243 357 S C 0.587 174.751 174.600 -0.727 0.000 1.003 357 S CA 1.120 58.984 58.200 -0.559 0.000 0.970 357 S CB -0.503 62.213 63.200 -0.806 0.000 0.762 357 S HN 0.721 nan 8.310 nan 0.000 0.510 358 F N 0.646 120.609 119.950 0.021 0.000 2.708 358 F HA 0.215 4.742 4.527 -0.001 0.000 0.300 358 F C 1.944 177.760 175.800 0.025 0.000 1.118 358 F CA -0.212 57.809 58.000 0.035 0.000 1.307 358 F CB -0.229 38.803 39.000 0.054 0.000 0.986 358 F HN 0.118 nan 8.300 nan 0.000 0.522 359 S N 0.368 116.111 115.700 0.072 0.000 2.402 359 S HA -0.230 4.239 4.470 -0.000 0.000 0.233 359 S C 1.588 176.217 174.600 0.048 0.000 1.030 359 S CA 1.214 59.441 58.200 0.045 0.000 1.003 359 S CB -0.302 62.896 63.200 -0.002 0.000 0.813 359 S HN 0.461 nan 8.310 nan 0.000 0.477 360 K N 1.242 121.679 120.400 0.061 0.000 2.387 360 K HA 0.268 4.588 4.320 -0.000 0.000 0.198 360 K C -0.317 176.336 176.600 0.088 0.000 1.022 360 K CA -0.094 56.224 56.287 0.052 0.000 1.128 360 K CB 0.344 32.867 32.500 0.038 0.000 0.853 360 K HN 0.213 nan 8.250 nan 0.000 0.523 361 S N 1.503 117.287 115.700 0.140 0.000 2.405 361 S HA 0.177 4.647 4.470 -0.000 0.000 0.291 361 S C 0.802 175.461 174.600 0.098 0.000 1.137 361 S CA -0.248 58.056 58.200 0.174 0.000 1.061 361 S CB 0.855 64.191 63.200 0.227 0.000 1.001 361 S HN 0.237 nan 8.310 nan 0.000 0.507 362 R N 1.520 122.049 120.500 0.048 0.000 2.189 362 R HA 0.058 4.398 4.340 -0.000 0.000 0.218 362 R C -0.505 175.519 176.300 -0.461 0.000 1.074 362 R CA 0.860 56.819 56.100 -0.235 0.000 0.991 362 R CB 0.052 30.105 30.300 -0.411 0.000 0.883 362 R HN 0.486 nan 8.270 nan 0.000 0.457 363 F N 0.743 120.640 119.950 -0.089 0.000 2.347 363 F HA 0.380 4.907 4.527 -0.001 0.000 0.366 363 F C -0.093 175.568 175.800 -0.231 0.000 1.107 363 F CA -0.826 57.030 58.000 -0.240 0.000 1.058 363 F CB 1.009 39.872 39.000 -0.229 0.000 1.236 363 F HN -0.224 nan 8.300 nan 0.000 0.456 364 I N 4.476 124.954 120.570 -0.153 0.000 2.388 364 I HA 0.225 4.394 4.170 -0.000 0.000 0.281 364 I C -0.720 175.363 176.117 -0.057 0.000 1.046 364 I CA -0.549 60.717 61.300 -0.057 0.000 1.187 364 I CB 0.301 38.231 38.000 -0.117 0.000 1.351 364 I HN 0.343 nan 8.210 nan 0.000 0.472 365 F N 5.214 125.217 119.950 0.089 0.000 2.506 365 F HA 0.217 4.744 4.527 0.000 0.000 0.371 365 F C 1.067 176.817 175.800 -0.082 0.000 1.078 365 F CA -0.091 57.899 58.000 -0.018 0.000 1.195 365 F CB 0.329 39.248 39.000 -0.134 0.000 1.099 365 F HN 0.394 nan 8.300 nan 0.000 0.548 366 R N 4.658 125.197 120.500 0.064 0.000 2.247 366 R HA 0.449 4.789 4.340 -0.000 0.000 0.329 366 R C -1.759 174.444 176.300 -0.161 0.000 1.014 366 R CA -0.722 55.281 56.100 -0.162 0.000 0.907 366 R CB 0.285 30.590 30.300 0.008 0.000 1.146 366 R HN 0.433 nan 8.270 nan 0.000 0.499 367 L N 4.456 125.500 121.223 -0.298 0.000 2.272 367 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 367 L C 0.257 177.019 176.870 -0.180 0.000 1.032 367 L CA -0.360 54.328 54.840 -0.252 0.000 0.810 367 L CB 1.325 43.138 42.059 -0.410 0.000 1.205 367 L HN 0.544 nan 8.230 nan 0.000 0.422 368 R N 4.456 124.921 120.500 -0.060 0.000 2.220 368 R HA 0.437 4.776 4.340 -0.000 0.000 0.340 368 R C -1.064 175.204 176.300 -0.053 0.000 1.076 368 R CA -0.418 55.651 56.100 -0.051 0.000 0.920 368 R CB 0.203 30.500 30.300 -0.005 0.000 1.062 368 R HN 0.564 nan 8.270 nan 0.000 0.469 369 L N 3.647 124.828 121.223 -0.070 0.000 2.265 369 L HA 0.291 4.631 4.340 -0.000 0.000 0.288 369 L C 0.252 177.118 176.870 -0.007 0.000 1.058 369 L CA -0.522 54.301 54.840 -0.029 0.000 0.809 369 L CB 1.690 43.731 42.059 -0.030 0.000 1.179 369 L HN 0.593 nan 8.230 nan 0.000 0.429 370 S N 1.753 117.458 115.700 0.009 0.000 2.576 370 S HA 0.038 4.508 4.470 -0.000 0.000 0.276 370 S C 0.126 174.753 174.600 0.045 0.000 1.339 370 S CA -0.537 57.673 58.200 0.015 0.000 1.039 370 S CB 0.872 64.078 63.200 0.010 0.000 0.902 370 S HN 0.622 nan 8.310 nan 0.000 0.516 371 E N 0.512 120.742 120.200 0.051 0.000 2.529 371 E HA 0.211 4.561 4.350 -0.000 0.000 0.259 371 E C 1.176 177.810 176.600 0.058 0.000 0.966 371 E CA 0.797 57.238 56.400 0.069 0.000 0.937 371 E CB -0.201 29.533 29.700 0.056 0.000 0.923 371 E HN 0.881 nan 8.360 nan 0.000 0.468 372 G N 2.576 111.419 108.800 0.072 0.000 2.232 372 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.226 372 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.226 372 G C 0.327 175.267 174.900 0.067 0.000 0.996 372 G CA -0.028 45.108 45.100 0.060 0.000 0.626 372 G HN 0.966 nan 8.290 nan 0.000 0.509 373 A N 1.495 124.359 122.820 0.072 0.000 2.540 373 A HA 0.471 4.791 4.320 -0.000 0.000 0.239 373 A C 0.788 178.422 177.584 0.083 0.000 1.061 373 A CA 0.388 52.466 52.037 0.069 0.000 0.758 373 A CB 0.034 19.073 19.000 0.065 0.000 0.991 373 A HN 0.733 nan 8.150 nan 0.000 0.502 374 I N 2.741 123.352 120.570 0.069 0.000 2.347 374 I HA 0.472 4.641 4.170 -0.000 0.000 0.294 374 I C 0.932 177.093 176.117 0.072 0.000 1.090 374 I CA 0.899 62.244 61.300 0.076 0.000 1.314 374 I CB -0.834 37.205 38.000 0.064 0.000 1.423 374 I HN 0.775 nan 8.210 nan 0.000 0.503 375 G N 4.217 113.059 108.800 0.070 0.000 2.356 375 G HA2 0.736 4.696 3.960 -0.000 0.000 0.294 375 G HA3 0.736 4.696 3.960 -0.000 0.000 0.294 375 G C -2.125 172.741 174.900 -0.058 0.000 1.423 375 G CA -0.173 44.936 45.100 0.015 0.000 0.806 375 G HN 0.758 nan 8.290 nan 0.000 0.527 376 A N -0.768 121.910 122.820 -0.237 0.000 2.589 376 A HA 0.709 5.028 4.320 -0.000 0.000 0.296 376 A C -1.542 175.639 177.584 -0.673 0.000 1.062 376 A CA -0.630 51.012 52.037 -0.659 0.000 0.686 376 A CB 1.449 19.970 19.000 -0.797 0.000 1.282 376 A HN 1.859 nan 8.150 nan 0.000 0.404 377 F N 3.213 122.400 119.950 -1.272 0.000 2.467 377 F HA 0.473 5.000 4.527 -0.000 0.000 0.362 377 F C 0.138 175.761 175.800 -0.295 0.000 1.090 377 F CA -0.816 56.859 58.000 -0.542 0.000 1.202 377 F CB 0.538 39.384 39.000 -0.257 0.000 1.113 377 F HN 0.373 nan 8.300 nan 0.000 0.541 378 I N 8.474 128.730 120.570 -0.524 0.000 2.357 378 I HA -0.034 4.136 4.170 -0.000 0.000 0.300 378 I C -0.726 175.479 176.117 0.146 0.000 1.159 378 I CA 0.002 61.132 61.300 -0.283 0.000 1.339 378 I CB -1.527 36.066 38.000 -0.678 0.000 1.458 378 I HN 0.542 nan 8.210 nan 0.000 0.577 379 Y N 4.114 124.728 120.300 0.524 0.000 2.328 379 Y HA 0.581 5.131 4.550 -0.000 0.000 0.337 379 Y C 1.137 177.277 175.900 0.400 0.000 0.966 379 Y CA 0.087 58.527 58.100 0.567 0.000 1.136 379 Y CB 1.659 40.468 38.460 0.581 0.000 1.170 379 Y HN 0.764 nan 8.280 nan 0.000 0.470 380 G N 3.923 112.600 108.800 -0.206 0.000 2.176 380 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.253 380 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.253 380 G C -0.227 174.619 174.900 -0.090 0.000 0.979 380 G CA -0.162 44.810 45.100 -0.214 0.000 0.641 380 G HN 0.519 nan 8.290 nan 0.000 0.530 381 F N 2.597 122.547 119.950 0.001 0.000 2.443 381 F HA 0.480 5.006 4.527 -0.000 0.000 0.353 381 F C 1.561 177.457 175.800 0.162 0.000 1.101 381 F CA 0.099 58.124 58.000 0.042 0.000 1.226 381 F CB 1.077 40.001 39.000 -0.128 0.000 1.140 381 F HN 0.276 nan 8.300 nan 0.000 0.557 382 S N 1.886 117.799 115.700 0.354 0.000 2.546 382 S HA 0.399 4.869 4.470 -0.000 0.000 0.290 382 S C 1.078 175.945 174.600 0.445 0.000 1.290 382 S CA -0.120 58.259 58.200 0.298 0.000 1.069 382 S CB 0.655 63.972 63.200 0.195 0.000 0.846 382 S HN 1.433 nan 8.310 nan 0.000 0.495 383 G N 2.259 111.229 108.800 0.283 0.000 2.241 383 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.244 383 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.244 383 G C 0.039 175.006 174.900 0.113 0.000 0.998 383 G CA 0.141 45.359 45.100 0.197 0.000 0.621 383 G HN 0.743 nan 8.290 nan 0.000 0.519 384 F N 2.172 122.195 119.950 0.123 0.000 2.986 384 F HA 0.400 4.926 4.527 -0.000 0.000 0.297 384 F C 1.939 177.767 175.800 0.047 0.000 1.210 384 F CA 0.209 58.247 58.000 0.063 0.000 1.346 384 F CB 0.442 39.462 39.000 0.032 0.000 1.007 384 F HN 0.218 nan 8.300 nan 0.000 0.512 385 Q N -0.203 119.676 119.800 0.132 0.000 2.226 385 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 385 Q C 0.722 176.778 176.000 0.094 0.000 0.975 385 Q CA 1.533 57.396 55.803 0.100 0.000 0.866 385 Q CB 0.063 28.839 28.738 0.063 0.000 0.915 385 Q HN 0.333 nan 8.270 nan 0.000 0.440 386 D N -1.604 118.846 120.400 0.084 0.000 2.740 386 D HA 0.070 4.710 4.640 -0.000 0.000 0.305 386 D C 0.010 176.368 176.300 0.096 0.000 1.583 386 D CA 0.034 54.094 54.000 0.099 0.000 0.790 386 D CB 0.379 41.225 40.800 0.077 0.000 1.187 386 D HN -0.087 nan 8.370 nan 0.000 0.447 387 E N 0.479 120.734 120.200 0.091 0.000 2.347 387 E HA 0.028 4.378 4.350 -0.000 0.000 0.196 387 E C 0.217 176.860 176.600 0.073 0.000 1.008 387 E CA 0.474 56.922 56.400 0.080 0.000 0.852 387 E CB -0.013 29.728 29.700 0.067 0.000 0.783 387 E HN 0.276 nan 8.360 nan 0.000 0.505 388 Q N 0.460 120.298 119.800 0.064 0.000 2.439 388 Q HA -0.257 4.082 4.340 -0.000 0.000 0.325 388 Q C -0.513 175.354 176.000 -0.223 0.000 1.372 388 Q CA 0.612 56.432 55.803 0.030 0.000 0.909 388 Q CB -1.722 27.179 28.738 0.272 0.000 1.167 388 Q HN 0.388 nan 8.270 nan 0.000 0.418 389 E N 0.796 120.751 120.200 -0.409 0.000 2.259 389 E HA 0.386 4.736 4.350 -0.000 0.000 0.281 389 E C -0.559 175.762 176.600 -0.464 0.000 1.027 389 E CA -0.381 55.843 56.400 -0.293 0.000 0.838 389 E CB 0.719 30.352 29.700 -0.111 0.000 1.066 389 E HN 0.294 nan 8.360 nan 0.000 0.401 390 I N 5.669 126.109 120.570 -0.217 0.000 2.330 390 I HA 0.154 4.323 4.170 -0.000 0.000 0.289 390 I C -0.520 175.516 176.117 -0.135 0.000 1.001 390 I CA -0.910 60.288 61.300 -0.170 0.000 1.193 390 I CB 1.121 39.093 38.000 -0.046 0.000 1.345 390 I HN 0.495 nan 8.210 nan 0.000 0.461 391 L N 8.466 129.581 121.223 -0.180 0.000 2.281 391 L HA 0.428 4.768 4.340 -0.000 0.000 0.285 391 L C -0.560 176.281 176.870 -0.049 0.000 1.074 391 L CA 0.142 54.912 54.840 -0.117 0.000 0.817 391 L CB 0.531 42.466 42.059 -0.207 0.000 1.168 391 L HN 0.423 nan 8.230 nan 0.000 0.434 392 L N 4.207 125.449 121.223 0.031 0.000 2.357 392 L HA 0.388 4.728 4.340 -0.000 0.000 0.273 392 L C 0.478 177.430 176.870 0.137 0.000 1.080 392 L CA -0.804 54.079 54.840 0.072 0.000 0.803 392 L CB 0.969 43.085 42.059 0.096 0.000 1.174 392 L HN 0.644 nan 8.230 nan 0.000 0.443 393 N N 2.131 120.900 118.700 0.115 0.000 2.374 393 N HA -0.033 4.707 4.740 -0.000 0.000 0.241 393 N C -0.443 174.990 175.510 -0.129 0.000 1.262 393 N CA -0.068 53.049 53.050 0.112 0.000 0.880 393 N CB 0.555 39.072 38.487 0.050 0.000 1.105 393 N HN 0.513 nan 8.380 nan 0.000 0.438 394 K N 1.687 121.729 120.400 -0.597 0.000 2.508 394 K HA -0.117 4.202 4.320 -0.000 0.000 0.273 394 K C -0.344 176.053 176.600 -0.338 0.000 0.964 394 K CA 0.472 56.359 56.287 -0.667 0.000 0.948 394 K CB -0.086 31.809 32.500 -1.008 0.000 0.917 394 K HN 0.750 nan 8.250 nan 0.000 0.512 395 N N -0.513 118.014 118.700 -0.288 0.000 2.725 395 N HA -0.173 4.566 4.740 -0.000 0.000 0.249 395 N C -1.354 174.045 175.510 -0.185 0.000 1.103 395 N CA 0.808 53.729 53.050 -0.215 0.000 0.707 395 N CB -0.932 37.453 38.487 -0.169 0.000 1.043 395 N HN 0.532 nan 8.380 nan 0.000 0.553 396 S N 0.550 116.123 115.700 -0.213 0.000 2.439 396 S HA 0.248 4.718 4.470 -0.000 0.000 0.282 396 S C 0.476 174.872 174.600 -0.340 0.000 1.170 396 S CA -0.357 57.742 58.200 -0.169 0.000 1.054 396 S CB 1.149 64.318 63.200 -0.052 0.000 0.956 396 S HN 0.119 nan 8.310 nan 0.000 0.490 397 T N 4.234 118.668 114.554 -0.199 0.000 2.889 397 T HA 0.384 4.734 4.350 -0.000 0.000 0.291 397 T C -0.299 174.397 174.700 -0.007 0.000 0.995 397 T CA -0.108 61.863 62.100 -0.215 0.000 1.092 397 T CB 0.137 68.955 68.868 -0.084 0.000 0.954 397 T HN 0.426 nan 8.240 nan 0.000 0.506 398 F N 2.474 122.359 119.950 -0.109 0.000 2.332 398 F HA 0.393 4.920 4.527 -0.001 0.000 0.368 398 F C 0.695 176.519 175.800 0.040 0.000 1.110 398 F CA -1.185 56.752 58.000 -0.105 0.000 1.087 398 F CB 1.080 39.864 39.000 -0.361 0.000 1.235 398 F HN 0.245 nan 8.300 nan 0.000 0.470 399 K N 5.563 126.127 120.400 0.274 0.000 2.264 399 K HA 0.436 4.755 4.320 -0.000 0.000 0.277 399 K C -0.500 176.303 176.600 0.340 0.000 1.067 399 K CA -0.425 56.018 56.287 0.260 0.000 0.900 399 K CB 0.677 33.290 32.500 0.189 0.000 1.124 399 K HN 0.629 nan 8.250 nan 0.000 0.469 400 I N 6.688 127.468 120.570 0.350 0.000 2.471 400 I HA 0.050 4.220 4.170 -0.000 0.000 0.286 400 I C 0.632 176.951 176.117 0.337 0.000 1.079 400 I CA -0.142 61.356 61.300 0.330 0.000 1.398 400 I CB 0.342 38.552 38.000 0.349 0.000 1.403 400 I HN 0.721 nan 8.210 nan 0.000 0.530 401 F N 4.456 124.519 119.950 0.188 0.000 2.746 401 F HA 0.488 5.015 4.527 0.000 0.000 0.313 401 F C 0.553 176.497 175.800 0.241 0.000 1.095 401 F CA -0.586 57.526 58.000 0.187 0.000 1.224 401 F CB 0.368 39.444 39.000 0.127 0.000 1.060 401 F HN 0.300 nan 8.300 nan 0.000 0.584 402 R N 1.021 121.389 120.500 -0.221 0.000 2.579 402 R HA 0.590 4.930 4.340 -0.000 0.000 0.260 402 R C -2.333 173.922 176.300 -0.075 0.000 1.103 402 R CA -0.580 55.473 56.100 -0.080 0.000 0.942 402 R CB 1.854 32.132 30.300 -0.038 0.000 1.251 402 R HN 0.265 nan 8.270 nan 0.000 0.450 403 I N 2.771 123.347 120.570 0.010 0.000 2.439 403 I HA 0.315 4.484 4.170 -0.000 0.000 0.285 403 I C -0.760 175.349 176.117 -0.013 0.000 1.021 403 I CA -0.568 60.738 61.300 0.009 0.000 1.091 403 I CB 2.524 40.578 38.000 0.091 0.000 1.242 403 I HN 0.493 nan 8.210 nan 0.000 0.439 404 T N 6.879 121.399 114.554 -0.056 0.000 2.833 404 T HA 0.406 4.755 4.350 -0.000 0.000 0.297 404 T C -2.618 171.975 174.700 -0.179 0.000 1.015 404 T CA -1.438 60.632 62.100 -0.049 0.000 0.963 404 T CB 1.541 70.472 68.868 0.105 0.000 0.955 404 T HN 0.178 nan 8.240 nan 0.000 0.449 405 P HA 0.486 nan 4.420 nan 0.000 0.275 405 P C -0.529 176.639 177.300 -0.219 0.000 1.227 405 P CA -0.523 62.412 63.100 -0.275 0.000 0.781 405 P CB 0.472 32.027 31.700 -0.241 0.000 0.906 406 I N -2.325 118.093 120.570 -0.254 0.000 3.174 406 I HA 0.627 4.796 4.170 -0.000 0.000 0.313 406 I C -0.914 175.107 176.117 -0.160 0.000 1.155 406 I CA -0.838 60.347 61.300 -0.191 0.000 0.977 406 I CB 2.354 40.219 38.000 -0.226 0.000 1.248 406 I HN -0.038 nan 8.210 nan 0.000 0.453 407 T N 1.904 116.390 114.554 -0.112 0.000 3.154 407 T HA 0.272 4.622 4.350 -0.000 0.000 0.381 407 T C -0.093 174.552 174.700 -0.091 0.000 1.368 407 T CA -0.238 61.812 62.100 -0.084 0.000 1.155 407 T CB 0.262 69.106 68.868 -0.039 0.000 1.120 407 T HN 0.633 nan 8.240 nan 0.000 0.570 408 S N 3.020 118.662 115.700 -0.097 0.000 2.562 408 S HA 0.355 4.824 4.470 -0.000 0.000 0.281 408 S C 0.362 174.919 174.600 -0.072 0.000 1.333 408 S CA -0.568 57.581 58.200 -0.087 0.000 1.052 408 S CB 0.058 63.217 63.200 -0.069 0.000 0.884 408 S HN 0.503 nan 8.310 nan 0.000 0.506 409 I N 6.201 126.721 120.570 -0.083 0.000 2.336 409 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 409 I C 0.537 176.628 176.117 -0.043 0.000 0.991 409 I CA -0.188 61.079 61.300 -0.055 0.000 1.227 409 I CB 1.317 39.282 38.000 -0.059 0.000 1.366 409 I HN 0.727 nan 8.210 nan 0.000 0.466 410 I N 4.917 125.470 120.570 -0.029 0.000 2.947 410 I HA 0.013 4.182 4.170 -0.000 0.000 0.263 410 I C 0.718 176.822 176.117 -0.022 0.000 1.130 410 I CA 0.548 61.833 61.300 -0.025 0.000 1.448 410 I CB 0.124 38.111 38.000 -0.022 0.000 1.222 410 I HN 0.745 nan 8.210 nan 0.000 0.453 411 N N -0.491 118.199 118.700 -0.017 0.000 3.449 411 N HA 0.113 4.853 4.740 -0.000 0.000 0.312 411 N C 0.452 175.957 175.510 -0.009 0.000 1.557 411 N CA -0.733 52.309 53.050 -0.014 0.000 0.864 411 N CB 0.802 39.279 38.487 -0.016 0.000 1.799 411 N HN -0.171 nan 8.380 nan 0.000 0.554 412 R N -0.815 119.680 120.500 -0.009 0.000 2.103 412 R HA -0.025 4.314 4.340 -0.000 0.000 0.242 412 R C 0.882 177.177 176.300 -0.010 0.000 1.142 412 R CA 2.061 58.155 56.100 -0.009 0.000 0.960 412 R CB -0.356 29.937 30.300 -0.012 0.000 0.858 412 R HN 0.367 nan 8.270 nan 0.000 0.439 413 V N 0.304 120.211 119.914 -0.011 0.000 3.427 413 V HA 0.191 4.311 4.120 -0.000 0.000 0.305 413 V C -0.850 175.237 176.094 -0.011 0.000 1.412 413 V CA 0.345 62.638 62.300 -0.012 0.000 1.086 413 V CB 1.071 32.886 31.823 -0.013 0.000 0.964 413 V HN 0.263 nan 8.190 nan 0.000 0.439 414 T N 1.689 116.237 114.554 -0.011 0.000 2.937 414 T HA 0.481 4.831 4.350 -0.000 0.000 0.297 414 T C -0.663 174.029 174.700 -0.013 0.000 0.991 414 T CA -0.474 61.618 62.100 -0.013 0.000 0.990 414 T CB 1.859 70.717 68.868 -0.016 0.000 0.991 414 T HN 0.199 nan 8.240 nan 0.000 0.440 415 K N 2.457 122.849 120.400 -0.014 0.000 2.295 415 K HA 0.803 5.123 4.320 -0.000 0.000 0.239 415 K C -0.897 175.686 176.600 -0.029 0.000 0.991 415 K CA -1.077 55.199 56.287 -0.018 0.000 0.845 415 K CB 2.628 35.124 32.500 -0.007 0.000 1.197 415 K HN 0.502 nan 8.250 nan 0.000 0.441 416 M N 1.083 120.660 119.600 -0.039 0.000 2.294 416 M HA 0.169 4.649 4.480 -0.000 0.000 0.280 416 M C -1.460 174.799 176.300 -0.068 0.000 1.085 416 M CA -0.353 54.918 55.300 -0.048 0.000 0.969 416 M CB 2.166 34.739 32.600 -0.045 0.000 1.770 416 M HN 0.502 nan 8.290 nan 0.000 0.485 417 T N 4.811 119.326 114.554 -0.064 0.000 2.853 417 T HA 0.274 4.623 4.350 -0.000 0.000 0.298 417 T C -0.416 174.207 174.700 -0.128 0.000 0.978 417 T CA 0.123 62.164 62.100 -0.097 0.000 1.152 417 T CB 0.380 69.209 68.868 -0.066 0.000 0.914 417 T HN 0.633 nan 8.240 nan 0.000 0.539 418 Q N 0.963 120.617 119.800 -0.243 0.000 2.605 418 Q HA 0.735 5.075 4.340 -0.000 0.000 0.296 418 Q C -1.132 174.558 176.000 -0.517 0.000 1.056 418 Q CA -1.239 54.364 55.803 -0.333 0.000 0.778 418 Q CB 2.424 31.014 28.738 -0.247 0.000 1.497 418 Q HN 0.571 nan 8.270 nan 0.000 0.443 419 V N -1.998 117.561 119.914 -0.591 0.000 2.531 419 V HA 0.584 4.704 4.120 -0.000 0.000 0.301 419 V C -0.507 175.318 176.094 -0.449 0.000 1.034 419 V CA -0.902 61.056 62.300 -0.570 0.000 0.865 419 V CB 1.500 32.898 31.823 -0.708 0.000 0.995 419 V HN 0.497 nan 8.190 nan 0.000 0.424 420 V N 6.238 125.887 119.914 -0.441 0.000 2.389 420 V HA 0.392 4.512 4.120 -0.000 0.000 0.264 420 V C 0.224 176.182 176.094 -0.228 0.000 1.049 420 V CA -0.013 62.017 62.300 -0.451 0.000 0.932 420 V CB 0.798 32.156 31.823 -0.775 0.000 1.011 420 V HN 0.784 nan 8.190 nan 0.000 0.475 421 I N 4.418 124.886 120.570 -0.169 0.000 2.337 421 I HA 0.278 4.448 4.170 -0.000 0.000 0.285 421 I C -0.025 176.085 176.117 -0.012 0.000 1.041 421 I CA -0.377 60.881 61.300 -0.069 0.000 1.199 421 I CB 0.824 38.756 38.000 -0.112 0.000 1.370 421 I HN 0.487 nan 8.210 nan 0.000 0.470 422 D N 6.707 127.017 120.400 -0.151 0.000 2.358 422 D HA 0.443 5.083 4.640 -0.000 0.000 0.258 422 D C -0.117 175.976 176.300 -0.346 0.000 1.223 422 D CA 0.419 54.195 54.000 -0.374 0.000 0.886 422 D CB 1.604 41.863 40.800 -0.901 0.000 1.120 422 D HN 0.599 nan 8.370 nan 0.000 0.482 423 A N 3.108 125.958 122.820 0.050 0.000 2.539 423 A HA 0.438 4.757 4.320 -0.000 0.000 0.296 423 A C -0.452 177.327 177.584 0.325 0.000 1.073 423 A CA -0.779 51.432 52.037 0.291 0.000 0.700 423 A CB 1.583 20.743 19.000 0.266 0.000 1.296 423 A HN 0.415 nan 8.150 nan 0.000 0.405 424 E N 0.748 121.144 120.200 0.327 0.000 2.200 424 E HA 0.433 4.782 4.350 -0.000 0.000 0.283 424 E C 0.351 177.031 176.600 0.134 0.000 1.015 424 E CA -0.408 56.084 56.400 0.152 0.000 0.819 424 E CB 1.502 31.247 29.700 0.076 0.000 1.081 424 E HN 0.772 nan 8.360 nan 0.000 0.397 425 G N 3.974 112.826 108.800 0.086 0.000 2.354 425 G HA2 0.305 4.265 3.960 -0.000 0.000 0.266 425 G HA3 0.305 4.265 3.960 -0.000 0.000 0.266 425 G C -0.157 174.803 174.900 0.100 0.000 1.242 425 G CA -0.198 44.990 45.100 0.147 0.000 0.923 425 G HN 0.425 nan 8.290 nan 0.000 0.476 426 I N 1.721 122.350 120.570 0.099 0.000 2.465 426 I HA 0.279 4.448 4.170 -0.000 0.000 0.291 426 I C -0.429 175.698 176.117 0.016 0.000 1.014 426 I CA -0.629 60.698 61.300 0.045 0.000 1.093 426 I CB 2.377 40.401 38.000 0.040 0.000 1.267 426 I HN 0.390 nan 8.210 nan 0.000 0.431 427 Q N 5.238 125.042 119.800 0.006 0.000 2.523 427 Q HA 0.337 4.676 4.340 -0.000 0.000 0.251 427 Q C -1.097 174.893 176.000 -0.016 0.000 1.033 427 Q CA -0.481 55.314 55.803 -0.013 0.000 0.746 427 Q CB 1.084 29.820 28.738 -0.004 0.000 1.189 427 Q HN 0.542 nan 8.270 nan 0.000 0.508 428 N N 3.006 121.690 118.700 -0.027 0.000 2.439 428 N HA 0.107 4.846 4.740 -0.000 0.000 0.243 428 N C -0.811 174.678 175.510 -0.035 0.000 1.088 428 N CA -0.326 52.709 53.050 -0.026 0.000 0.940 428 N CB 0.616 39.087 38.487 -0.028 0.000 1.180 428 N HN 0.261 nan 8.380 nan 0.000 0.505 429 K N 2.324 122.708 120.400 -0.026 0.000 2.656 429 K HA 0.149 4.469 4.320 -0.000 0.000 0.241 429 K C -1.172 175.415 176.600 -0.022 0.000 0.967 429 K CA -0.555 55.715 56.287 -0.029 0.000 0.946 429 K CB 1.092 33.581 32.500 -0.019 0.000 1.164 429 K HN 0.448 nan 8.250 nan 0.000 0.459 430 E N 5.162 125.345 120.200 -0.029 0.000 2.338 430 E HA 0.212 4.562 4.350 -0.000 0.000 0.272 430 E C -0.005 176.584 176.600 -0.018 0.000 1.029 430 E CA -0.156 56.232 56.400 -0.020 0.000 0.872 430 E CB 0.532 30.219 29.700 -0.022 0.000 1.015 430 E HN 0.713 nan 8.360 nan 0.000 0.417 431 I N 0.000 120.569 120.570 -0.001 0.000 2.984 431 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 431 I CA 0.000 61.307 61.300 0.012 0.000 1.566 431 I CB 0.000 38.005 38.000 0.009 0.000 1.214 431 I HN 0.000 nan 8.210 nan 0.000 0.494