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 2c4c_1_A DATA FIRST_RESID 7 DATA SEQUENCE TNPAHDHFET FVQAQLCQDV LSSFQGLCRA LGVESGGGLS QYHKIKAQLN DATA SEQUENCE YWSAKSLWAK LDKRASQPVY QQGQACTNTK CLVVGAGPCG LRAAVELALL DATA SEQUENCE GARVVLVEKR IKFSRHNVLH LWPFTIHDLR ALGAKKFYGR FCTGTLDHIS DATA SEQUENCE IRQLQLLLLK VALLLGVEIH WGVKFTGLQP PPRKGSGWRA QLQPNPPAQL DATA SEQUENCE ASYEFDVLIS AAGGKFVPEG FTIREMRGKL AIGITANFVN GRTVEETQVP DATA SEQUENCE EISXXXXXYN QKFFQSLLKA TGIDLENIVY YKDETHYFVM TAKKQCLLRL DATA SEQUENCE GVLRQDLSET DQLLGKANVV PEALQRFARA AADFATHGKL GKLEFAQDAR DATA SEQUENCE GRPDVAAFDF TSMMRAESSA RVQEKHGARL LLGLVGDCLV EPFWPLGTGV DATA SEQUENCE ARGFLAAFDA AWMVKRWAEG AGPLEVLAER ESLYQLLSQT SPENMHRNVA DATA SEQUENCE QYGLDPATRY PNLNLRAVTP NQVQDLYDMM D 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.675 174.700 -0.042 0.000 1.109 7 T CA 0.000 62.100 62.100 0.001 0.000 1.349 7 T CB 0.000 68.880 68.868 0.019 0.000 0.612 8 N N 0.987 119.659 118.700 -0.047 0.000 2.653 8 N HA 0.395 5.136 4.740 0.001 0.000 0.261 8 N C -2.459 173.054 175.510 0.005 0.000 1.216 8 N CA -1.857 51.123 53.050 -0.116 0.000 0.784 8 N CB 1.769 40.008 38.487 -0.414 0.000 1.327 8 N HN 0.234 nan 8.380 nan 0.000 0.539 9 P HA -0.192 nan 4.420 nan 0.000 0.218 9 P C 1.085 178.550 177.300 0.274 0.000 1.154 9 P CA 1.909 65.121 63.100 0.187 0.000 0.872 9 P CB 0.341 32.131 31.700 0.150 0.000 0.790 10 A N -1.110 121.791 122.820 0.135 0.000 1.883 10 A HA -0.276 4.044 4.320 0.001 0.000 0.217 10 A C 2.149 179.888 177.584 0.259 0.000 1.186 10 A CA 1.730 53.854 52.037 0.145 0.000 0.624 10 A CB -1.812 17.215 19.000 0.045 0.000 0.822 10 A HN 0.304 nan 8.150 nan 0.000 0.444 11 H N -0.699 118.363 119.070 -0.013 0.000 2.321 11 H HA -0.127 4.430 4.556 0.001 0.000 0.300 11 H C 1.583 177.035 175.328 0.205 0.000 1.087 11 H CA 1.149 57.186 56.048 -0.018 0.000 1.319 11 H CB 0.030 29.674 29.762 -0.197 0.000 1.379 11 H HN 0.506 nan 8.280 nan 0.000 0.501 12 D N -0.071 120.499 120.400 0.283 0.000 2.097 12 D HA -0.133 4.508 4.640 0.001 0.000 0.197 12 D C 2.079 178.474 176.300 0.158 0.000 0.984 12 D CA 0.993 55.101 54.000 0.181 0.000 0.826 12 D CB -0.277 40.566 40.800 0.072 0.000 0.973 12 D HN 0.535 nan 8.370 nan 0.000 0.460 13 H N -0.416 118.769 119.070 0.193 0.000 2.353 13 H HA -0.118 4.438 4.556 0.001 0.000 0.300 13 H C 2.118 177.616 175.328 0.283 0.000 1.090 13 H CA 0.830 56.992 56.048 0.190 0.000 1.327 13 H CB -0.377 29.459 29.762 0.123 0.000 1.383 13 H HN 0.160 nan 8.280 nan 0.000 0.508 14 F N 2.135 122.271 119.950 0.310 0.000 2.171 14 F HA -0.163 4.365 4.527 0.001 0.000 0.300 14 F C 2.170 178.206 175.800 0.394 0.000 1.090 14 F CA 1.440 59.645 58.000 0.341 0.000 1.293 14 F CB -0.048 39.133 39.000 0.302 0.000 1.013 14 F HN 0.064 nan 8.300 nan 0.000 0.486 15 E N -0.728 119.611 120.200 0.231 0.000 2.112 15 E HA -0.152 4.199 4.350 0.001 0.000 0.190 15 E C 2.255 178.877 176.600 0.037 0.000 0.979 15 E CA 1.575 58.021 56.400 0.076 0.000 0.814 15 E CB -0.273 29.551 29.700 0.206 0.000 0.762 15 E HN 0.536 nan 8.360 nan 0.000 0.460 16 T N -0.780 113.829 114.554 0.091 0.000 2.904 16 T HA -0.142 4.208 4.350 0.001 0.000 0.267 16 T C 1.759 176.508 174.700 0.080 0.000 1.059 16 T CA 0.533 62.670 62.100 0.063 0.000 1.137 16 T CB -0.354 68.541 68.868 0.045 0.000 0.879 16 T HN 0.189 nan 8.240 nan 0.000 0.467 17 F N 2.154 122.105 119.950 0.002 0.000 2.095 17 F HA -0.021 4.507 4.527 0.001 0.000 0.298 17 F C 2.150 177.911 175.800 -0.065 0.000 1.104 17 F CA 1.262 59.271 58.000 0.015 0.000 1.232 17 F CB -0.626 38.446 39.000 0.121 0.000 0.987 17 F HN 0.034 nan 8.300 nan 0.000 0.475 18 V N 1.714 121.494 119.914 -0.224 0.000 2.358 18 V HA -0.313 3.808 4.120 0.001 0.000 0.246 18 V C 2.499 178.501 176.094 -0.153 0.000 1.047 18 V CA 2.217 64.367 62.300 -0.250 0.000 1.035 18 V CB -1.006 30.643 31.823 -0.290 0.000 0.658 18 V HN 0.637 nan 8.190 nan 0.000 0.452 19 Q N 0.864 120.602 119.800 -0.104 0.000 2.378 19 Q HA 0.105 4.446 4.340 0.001 0.000 0.205 19 Q C 1.153 177.117 176.000 -0.059 0.000 0.954 19 Q CA 0.807 56.579 55.803 -0.051 0.000 0.901 19 Q CB -0.281 28.446 28.738 -0.018 0.000 0.981 19 Q HN 0.531 nan 8.270 nan 0.000 0.483 20 A N 1.592 124.348 122.820 -0.107 0.000 2.584 20 A HA -0.063 4.257 4.320 0.001 0.000 0.239 20 A C 0.600 178.131 177.584 -0.088 0.000 1.043 20 A CA 0.180 52.158 52.037 -0.098 0.000 0.756 20 A CB 0.307 19.225 19.000 -0.137 0.000 0.963 20 A HN 0.408 nan 8.150 nan 0.000 0.511 21 Q N 1.194 120.964 119.800 -0.051 0.000 2.189 21 Q HA 0.295 4.635 4.340 0.001 0.000 0.223 21 Q C -0.583 175.398 176.000 -0.031 0.000 0.828 21 Q CA 0.374 56.158 55.803 -0.032 0.000 0.967 21 Q CB 0.499 29.236 28.738 -0.001 0.000 1.139 21 Q HN 0.728 nan 8.270 nan 0.000 0.497 22 L N -0.056 121.135 121.223 -0.053 0.000 2.322 22 L HA 0.280 4.620 4.340 0.001 0.000 0.281 22 L C 1.212 178.003 176.870 -0.132 0.000 1.014 22 L CA -0.444 54.349 54.840 -0.079 0.000 0.815 22 L CB 1.997 44.010 42.059 -0.078 0.000 1.247 22 L HN 0.059 nan 8.230 nan 0.000 0.421 23 C N 1.502 120.675 119.300 -0.213 0.000 2.413 23 C HA -0.170 4.290 4.460 0.001 0.000 0.276 23 C C 2.468 177.204 174.990 -0.424 0.000 1.248 23 C CA 1.084 59.864 59.018 -0.395 0.000 1.742 23 C CB -0.301 26.919 27.740 -0.866 0.000 2.017 23 C HN 1.018 nan 8.230 nan 0.000 0.481 24 Q N 0.301 119.878 119.800 -0.371 0.000 2.500 24 Q HA -0.071 4.269 4.340 0.001 0.000 0.213 24 Q C 1.115 177.020 176.000 -0.159 0.000 0.974 24 Q CA 1.799 57.422 55.803 -0.300 0.000 0.918 24 Q CB -0.276 28.316 28.738 -0.243 0.000 0.980 24 Q HN 0.740 nan 8.270 nan 0.000 0.505 25 D N -2.154 118.174 120.400 -0.120 0.000 2.388 25 D HA 0.006 4.646 4.640 0.001 0.000 0.208 25 D C 1.463 177.771 176.300 0.014 0.000 1.035 25 D CA 0.338 54.315 54.000 -0.037 0.000 0.875 25 D CB 0.416 41.195 40.800 -0.035 0.000 0.984 25 D HN 0.060 nan 8.370 nan 0.000 0.508 26 V N 0.955 120.845 119.914 -0.041 0.000 2.295 26 V HA -0.206 3.915 4.120 0.001 0.000 0.246 26 V C 2.329 178.549 176.094 0.210 0.000 1.049 26 V CA 1.315 63.619 62.300 0.007 0.000 1.024 26 V CB -0.526 31.229 31.823 -0.113 0.000 0.648 26 V HN 0.231 nan 8.190 nan 0.000 0.447 27 L N 0.247 121.521 121.223 0.086 0.000 2.056 27 L HA -0.131 4.209 4.340 0.001 0.000 0.207 27 L C 2.754 179.741 176.870 0.196 0.000 1.078 27 L CA 1.706 56.634 54.840 0.148 0.000 0.749 27 L CB -0.911 41.143 42.059 -0.008 0.000 0.901 27 L HN 0.445 nan 8.230 nan 0.000 0.433 28 S N 0.667 116.438 115.700 0.119 0.000 2.378 28 S HA -0.262 4.209 4.470 0.001 0.000 0.221 28 S C 2.296 177.018 174.600 0.203 0.000 1.037 28 S CA 2.279 60.552 58.200 0.122 0.000 1.069 28 S CB -0.569 62.675 63.200 0.074 0.000 1.006 28 S HN 0.567 nan 8.310 nan 0.000 0.423 29 S N 0.297 116.157 115.700 0.267 0.000 2.419 29 S HA -0.104 4.367 4.470 0.001 0.000 0.235 29 S C 1.696 176.522 174.600 0.378 0.000 1.019 29 S CA 1.309 59.736 58.200 0.378 0.000 0.982 29 S CB -1.000 62.423 63.200 0.372 0.000 0.789 29 S HN 0.585 nan 8.310 nan 0.000 0.490 30 F N 2.551 122.631 119.950 0.216 0.000 2.113 30 F HA 0.031 4.559 4.527 0.001 0.000 0.297 30 F C 2.708 178.490 175.800 -0.029 0.000 1.103 30 F CA 1.425 59.428 58.000 0.005 0.000 1.248 30 F CB -0.492 38.551 39.000 0.071 0.000 0.999 30 F HN 0.097 nan 8.300 nan 0.000 0.475 31 Q N 0.155 119.978 119.800 0.038 0.000 2.181 31 Q HA -0.124 4.217 4.340 0.001 0.000 0.205 31 Q C 2.474 178.364 176.000 -0.184 0.000 0.980 31 Q CA 1.378 57.129 55.803 -0.087 0.000 0.862 31 Q CB -1.145 27.605 28.738 0.020 0.000 0.905 31 Q HN 0.572 nan 8.270 nan 0.000 0.429 32 G N 0.770 109.474 108.800 -0.160 0.000 2.394 32 G HA2 -0.203 3.758 3.960 0.001 0.000 0.215 32 G HA3 -0.203 3.758 3.960 0.001 0.000 0.215 32 G C 1.479 175.995 174.900 -0.640 0.000 1.165 32 G CA 0.563 45.389 45.100 -0.455 0.000 0.784 32 G HN 0.328 nan 8.290 nan 0.000 0.535 33 L N 0.590 121.586 121.223 -0.378 0.000 2.056 33 L HA 0.009 4.350 4.340 0.001 0.000 0.207 33 L C 2.744 179.402 176.870 -0.353 0.000 1.078 33 L CA 1.467 56.141 54.840 -0.277 0.000 0.749 33 L CB -0.772 41.182 42.059 -0.175 0.000 0.901 33 L HN 0.233 nan 8.230 nan 0.000 0.433 34 C N -0.430 118.575 119.300 -0.493 0.000 2.413 34 C HA -0.157 4.304 4.460 0.001 0.000 0.276 34 C C 2.923 177.755 174.990 -0.265 0.000 1.248 34 C CA 1.088 59.857 59.018 -0.414 0.000 1.742 34 C CB -0.977 26.489 27.740 -0.456 0.000 2.017 34 C HN 0.539 nan 8.230 nan 0.000 0.481 35 R N 0.498 120.846 120.500 -0.255 0.000 2.073 35 R HA -0.129 4.211 4.340 0.001 0.000 0.234 35 R C 2.272 178.468 176.300 -0.175 0.000 1.134 35 R CA 1.710 57.695 56.100 -0.191 0.000 0.952 35 R CB -0.404 29.782 30.300 -0.190 0.000 0.850 35 R HN 0.536 nan 8.270 nan 0.000 0.433 36 A N 0.451 123.143 122.820 -0.213 0.000 1.969 36 A HA -0.062 4.259 4.320 0.001 0.000 0.218 36 A C 1.867 179.379 177.584 -0.120 0.000 1.169 36 A CA 0.954 52.901 52.037 -0.151 0.000 0.635 36 A CB -0.168 18.748 19.000 -0.140 0.000 0.810 36 A HN 0.283 nan 8.150 nan 0.000 0.445 37 L N -0.780 120.358 121.223 -0.141 0.000 2.628 37 L HA 0.220 4.561 4.340 0.001 0.000 0.229 37 L C 1.367 178.164 176.870 -0.121 0.000 1.137 37 L CA 0.291 55.056 54.840 -0.126 0.000 0.909 37 L CB -0.319 41.655 42.059 -0.140 0.000 1.137 37 L HN 0.532 nan 8.230 nan 0.000 0.470 38 G N 1.650 110.379 108.800 -0.118 0.000 2.323 38 G HA2 -0.230 3.730 3.960 0.001 0.000 0.292 38 G HA3 -0.230 3.730 3.960 0.001 0.000 0.292 38 G C 0.046 174.887 174.900 -0.099 0.000 1.040 38 G CA 0.557 45.599 45.100 -0.098 0.000 0.942 38 G HN 0.318 nan 8.290 nan 0.000 0.506 39 V N -5.047 114.792 119.914 -0.123 0.000 3.158 39 V HA 0.988 5.109 4.120 0.001 0.000 0.311 39 V C -0.264 175.757 176.094 -0.121 0.000 1.181 39 V CA -1.545 60.685 62.300 -0.116 0.000 1.054 39 V CB 2.271 34.016 31.823 -0.130 0.000 1.085 39 V HN 0.165 nan 8.190 nan 0.000 0.446 40 E N 1.116 121.264 120.200 -0.087 0.000 2.263 40 E HA 0.565 4.916 4.350 0.001 0.000 0.264 40 E C -0.635 175.944 176.600 -0.035 0.000 0.923 40 E CA -0.369 55.992 56.400 -0.065 0.000 0.802 40 E CB 2.104 31.787 29.700 -0.028 0.000 1.228 40 E HN 1.007 nan 8.360 nan 0.000 0.417 41 S N -0.947 114.760 115.700 0.011 0.000 2.554 41 S HA 0.563 5.033 4.470 0.001 0.000 0.278 41 S C 0.851 175.507 174.600 0.093 0.000 1.242 41 S CA 0.071 58.367 58.200 0.160 0.000 1.051 41 S CB 1.221 64.620 63.200 0.332 0.000 0.986 41 S HN 0.795 nan 8.310 nan 0.000 0.502 42 G N 1.366 110.220 108.800 0.090 0.000 2.182 42 G HA2 -0.088 3.873 3.960 0.001 0.000 0.248 42 G HA3 -0.088 3.873 3.960 0.001 0.000 0.248 42 G C 0.505 175.411 174.900 0.009 0.000 1.042 42 G CA -0.123 44.982 45.100 0.007 0.000 0.775 42 G HN 1.606 nan 8.290 nan 0.000 0.501 43 G N -0.737 108.078 108.800 0.025 0.000 3.899 43 G HA2 0.650 4.611 3.960 0.001 0.000 0.293 43 G HA3 0.650 4.611 3.960 0.001 0.000 0.293 43 G C 1.232 176.135 174.900 0.004 0.000 1.054 43 G CA 1.305 46.414 45.100 0.015 0.000 0.846 43 G HN 1.958 nan 8.290 nan 0.000 0.525 44 G N 0.139 108.940 108.800 0.002 0.000 2.598 44 G HA2 -0.280 3.680 3.960 0.001 0.000 0.244 44 G HA3 -0.280 3.680 3.960 0.001 0.000 0.244 44 G C 0.946 175.817 174.900 -0.048 0.000 1.302 44 G CA 0.007 45.096 45.100 -0.020 0.000 0.903 44 G HN 0.486 nan 8.290 nan 0.000 0.575 45 L N 1.284 122.438 121.223 -0.114 0.000 2.240 45 L HA 0.035 4.375 4.340 0.001 0.000 0.211 45 L C 3.254 179.785 176.870 -0.564 0.000 1.106 45 L CA 1.869 56.544 54.840 -0.275 0.000 0.793 45 L CB -0.540 41.346 42.059 -0.289 0.000 0.927 45 L HN 0.803 nan 8.230 nan 0.000 0.446 46 S N -0.773 114.746 115.700 -0.302 0.000 2.400 46 S HA -0.204 4.267 4.470 0.001 0.000 0.232 46 S C 1.919 176.446 174.600 -0.122 0.000 1.025 46 S CA 0.789 58.886 58.200 -0.173 0.000 0.993 46 S CB -0.226 62.944 63.200 -0.051 0.000 0.808 46 S HN 0.399 nan 8.310 nan 0.000 0.478 47 Q N 0.163 119.909 119.800 -0.090 0.000 2.137 47 Q HA 0.048 4.388 4.340 0.001 0.000 0.198 47 Q C 1.922 177.899 176.000 -0.038 0.000 0.960 47 Q CA 1.345 57.118 55.803 -0.050 0.000 0.847 47 Q CB -0.809 27.926 28.738 -0.005 0.000 0.915 47 Q HN 0.813 nan 8.270 nan 0.000 0.448 48 Y N 1.328 121.539 120.300 -0.149 0.000 2.145 48 Y HA -0.239 4.311 4.550 0.001 0.000 0.286 48 Y C 1.978 177.800 175.900 -0.130 0.000 1.145 48 Y CA 1.991 60.021 58.100 -0.116 0.000 1.148 48 Y CB -0.550 37.852 38.460 -0.097 0.000 0.981 48 Y HN 0.303 nan 8.280 nan 0.000 0.507 49 H N -0.400 118.458 119.070 -0.353 0.000 2.387 49 H HA -0.100 4.457 4.556 0.001 0.000 0.299 49 H C 2.074 177.153 175.328 -0.414 0.000 1.090 49 H CA 1.213 56.983 56.048 -0.463 0.000 1.332 49 H CB 0.039 29.680 29.762 -0.203 0.000 1.386 49 H HN 0.307 nan 8.280 nan 0.000 0.516 50 K N 0.467 120.765 120.400 -0.169 0.000 2.155 50 K HA -0.062 4.258 4.320 0.001 0.000 0.203 50 K C 2.034 178.484 176.600 -0.251 0.000 1.052 50 K CA 0.789 56.971 56.287 -0.176 0.000 0.948 50 K CB 0.139 32.569 32.500 -0.118 0.000 0.728 50 K HN 0.250 nan 8.250 nan 0.000 0.448 51 I N 2.071 122.459 120.570 -0.303 0.000 2.133 51 I HA -0.336 3.835 4.170 0.001 0.000 0.238 51 I C 2.434 178.222 176.117 -0.549 0.000 1.074 51 I CA 1.479 62.583 61.300 -0.326 0.000 1.342 51 I CB -0.305 37.571 38.000 -0.207 0.000 1.053 51 I HN 0.161 nan 8.210 nan 0.000 0.404 52 K N 1.750 121.546 120.400 -1.007 0.000 2.057 52 K HA -0.127 4.194 4.320 0.001 0.000 0.207 52 K C 2.152 178.206 176.600 -0.911 0.000 1.049 52 K CA 1.564 56.839 56.287 -1.687 0.000 0.931 52 K CB -0.567 30.584 32.500 -2.248 0.000 0.714 52 K HN 0.248 nan 8.250 nan 0.000 0.440 53 A N 1.768 124.242 122.820 -0.578 0.000 1.933 53 A HA -0.185 4.136 4.320 0.001 0.000 0.218 53 A C 2.020 179.475 177.584 -0.215 0.000 1.175 53 A CA 1.550 53.391 52.037 -0.328 0.000 0.628 53 A CB -0.475 18.377 19.000 -0.247 0.000 0.814 53 A HN 0.526 nan 8.150 nan 0.000 0.444 54 Q N -0.947 118.724 119.800 -0.214 0.000 2.432 54 Q HA 0.219 4.559 4.340 0.001 0.000 0.205 54 Q C 0.226 176.177 176.000 -0.082 0.000 0.945 54 Q CA 0.265 55.990 55.803 -0.130 0.000 0.924 54 Q CB 0.072 28.734 28.738 -0.127 0.000 1.016 54 Q HN 0.582 nan 8.270 nan 0.000 0.503 55 L N 1.457 122.628 121.223 -0.086 0.000 3.108 55 L HA 0.226 4.567 4.340 0.001 0.000 0.251 55 L C 0.064 177.086 176.870 0.253 0.000 1.315 55 L CA -0.503 54.393 54.840 0.093 0.000 1.048 55 L CB 0.031 42.152 42.059 0.104 0.000 1.432 55 L HN 0.021 nan 8.230 nan 0.000 0.543 56 N N 2.239 121.015 118.700 0.127 0.000 3.050 56 N HA 0.075 4.815 4.740 0.001 0.000 0.289 56 N C -0.942 174.666 175.510 0.162 0.000 1.209 56 N CA -0.025 53.103 53.050 0.130 0.000 1.154 56 N CB -0.246 38.271 38.487 0.051 0.000 1.444 56 N HN 0.381 nan 8.380 nan 0.000 0.529 57 Y N -0.159 120.024 120.300 -0.196 0.000 2.581 57 Y HA 0.323 4.874 4.550 0.001 0.000 0.337 57 Y C 0.902 176.542 175.900 -0.434 0.000 1.108 57 Y CA -1.716 56.141 58.100 -0.405 0.000 1.033 57 Y CB 0.108 37.992 38.460 -0.960 0.000 1.318 57 Y HN 0.154 nan 8.280 nan 0.000 0.459 58 W N 0.476 121.707 121.300 -0.116 0.000 2.207 58 W HA -0.320 4.341 4.660 0.001 0.000 0.335 58 W C 1.099 177.399 176.519 -0.365 0.000 1.370 58 W CA 2.400 59.635 57.345 -0.183 0.000 1.396 58 W CB -1.572 27.856 29.460 -0.053 0.000 1.095 58 W HN 0.454 nan 8.180 nan 0.000 0.490 59 S N 0.232 115.326 115.700 -1.011 0.000 2.607 59 S HA 0.321 4.791 4.470 0.001 0.000 0.224 59 S C 1.562 175.794 174.600 -0.613 0.000 0.969 59 S CA 0.863 58.691 58.200 -0.621 0.000 0.927 59 S CB -0.161 62.746 63.200 -0.489 0.000 0.772 59 S HN 0.556 nan 8.310 nan 0.000 0.533 60 A N 0.288 122.571 122.820 -0.895 0.000 2.150 60 A HA 0.338 4.659 4.320 0.001 0.000 0.191 60 A C 1.609 178.642 177.584 -0.918 0.000 1.591 60 A CA -0.127 51.380 52.037 -0.884 0.000 1.142 60 A CB -0.019 18.384 19.000 -0.995 0.000 1.326 60 A HN 0.253 nan 8.150 nan 0.000 0.470 61 K N 1.277 121.396 120.400 -0.468 0.000 2.097 61 K HA -0.144 4.177 4.320 0.001 0.000 0.206 61 K C 2.113 178.602 176.600 -0.185 0.000 1.049 61 K CA 1.887 58.078 56.287 -0.158 0.000 0.933 61 K CB -0.083 32.410 32.500 -0.012 0.000 0.717 61 K HN 0.574 nan 8.250 nan 0.000 0.442 62 S N 0.687 116.249 115.700 -0.230 0.000 2.423 62 S HA -0.154 4.317 4.470 0.001 0.000 0.231 62 S C 1.924 176.395 174.600 -0.216 0.000 1.014 62 S CA 0.797 58.897 58.200 -0.167 0.000 0.965 62 S CB -0.279 62.833 63.200 -0.147 0.000 0.785 62 S HN 0.293 nan 8.310 nan 0.000 0.495 63 L N 0.464 121.440 121.223 -0.413 0.000 2.109 63 L HA 0.218 4.559 4.340 0.001 0.000 0.207 63 L C 2.168 178.921 176.870 -0.194 0.000 1.086 63 L CA 1.384 55.965 54.840 -0.433 0.000 0.760 63 L CB -0.589 41.045 42.059 -0.708 0.000 0.910 63 L HN 0.441 nan 8.230 nan 0.000 0.437 64 W N -1.018 120.306 121.300 0.041 0.000 2.388 64 W HA -0.038 4.623 4.660 0.001 0.000 0.294 64 W C 2.492 179.056 176.519 0.075 0.000 1.212 64 W CA 0.380 57.782 57.345 0.094 0.000 1.271 64 W CB -0.628 28.842 29.460 0.017 0.000 1.126 64 W HN 0.187 nan 8.180 nan 0.000 0.535 65 A N 1.427 124.373 122.820 0.208 0.000 1.851 65 A HA -0.240 4.081 4.320 0.001 0.000 0.216 65 A C 1.907 179.550 177.584 0.098 0.000 1.195 65 A CA 2.082 54.194 52.037 0.125 0.000 0.622 65 A CB -0.877 18.161 19.000 0.064 0.000 0.831 65 A HN 0.255 nan 8.150 nan 0.000 0.444 66 K N -0.630 119.800 120.400 0.050 0.000 2.001 66 K HA -0.167 4.154 4.320 0.001 0.000 0.214 66 K C 1.992 178.631 176.600 0.065 0.000 1.050 66 K CA 1.806 58.109 56.287 0.027 0.000 0.934 66 K CB -0.511 31.967 32.500 -0.037 0.000 0.718 66 K HN 0.462 nan 8.250 nan 0.000 0.443 67 L N 0.963 122.256 121.223 0.116 0.000 1.989 67 L HA -0.248 4.092 4.340 0.001 0.000 0.211 67 L C 2.107 179.053 176.870 0.127 0.000 1.071 67 L CA 1.277 56.196 54.840 0.132 0.000 0.749 67 L CB -0.391 41.820 42.059 0.253 0.000 0.890 67 L HN 0.222 nan 8.230 nan 0.000 0.431 68 D N -0.355 120.174 120.400 0.215 0.000 2.178 68 D HA -0.187 4.453 4.640 0.001 0.000 0.202 68 D C 2.073 178.439 176.300 0.110 0.000 0.974 68 D CA 0.896 55.004 54.000 0.179 0.000 0.841 68 D CB -0.016 40.903 40.800 0.197 0.000 0.953 68 D HN 0.224 nan 8.370 nan 0.000 0.478 69 K N 0.884 121.344 120.400 0.101 0.000 2.032 69 K HA -0.200 4.120 4.320 0.001 0.000 0.209 69 K C 2.163 178.819 176.600 0.094 0.000 1.048 69 K CA 1.173 57.512 56.287 0.087 0.000 0.927 69 K CB 0.107 32.652 32.500 0.076 0.000 0.712 69 K HN -0.039 nan 8.250 nan 0.000 0.441 70 R N 0.025 120.572 120.500 0.077 0.000 2.062 70 R HA -0.052 4.288 4.340 0.001 0.000 0.229 70 R C 2.148 178.463 176.300 0.026 0.000 1.128 70 R CA 1.326 57.476 56.100 0.083 0.000 0.960 70 R CB -0.406 29.915 30.300 0.035 0.000 0.855 70 R HN 0.264 nan 8.270 nan 0.000 0.432 71 A N 0.219 122.994 122.820 -0.076 0.000 2.139 71 A HA -0.150 4.171 4.320 0.001 0.000 0.221 71 A C 1.775 179.363 177.584 0.006 0.000 1.159 71 A CA 1.856 53.787 52.037 -0.177 0.000 0.662 71 A CB -0.360 18.611 19.000 -0.049 0.000 0.796 71 A HN 0.571 nan 8.150 nan 0.000 0.463 72 S N -1.696 114.074 115.700 0.117 0.000 2.663 72 S HA 0.281 4.751 4.470 0.001 0.000 0.243 72 S C 0.290 175.005 174.600 0.191 0.000 1.009 72 S CA -0.505 57.788 58.200 0.155 0.000 0.988 72 S CB -0.172 63.088 63.200 0.101 0.000 0.896 72 S HN 0.570 nan 8.310 nan 0.000 0.502 73 Q N 1.920 121.888 119.800 0.280 0.000 2.386 73 Q HA 0.150 4.490 4.340 0.001 0.000 0.282 73 Q C -1.571 174.512 176.000 0.138 0.000 1.050 73 Q CA -1.406 54.521 55.803 0.206 0.000 0.918 73 Q CB 0.476 29.353 28.738 0.233 0.000 1.266 73 Q HN 0.135 nan 8.270 nan 0.000 0.423 74 P HA -0.267 nan 4.420 nan 0.000 0.218 74 P C 1.146 178.449 177.300 0.006 0.000 1.150 74 P CA 0.963 64.084 63.100 0.035 0.000 0.841 74 P CB 0.101 31.811 31.700 0.016 0.000 0.784 75 V N -1.331 118.528 119.914 -0.091 0.000 2.295 75 V HA -0.250 3.870 4.120 0.001 0.000 0.246 75 V C 1.820 177.816 176.094 -0.164 0.000 1.049 75 V CA 1.790 63.985 62.300 -0.174 0.000 1.024 75 V CB -1.176 30.464 31.823 -0.305 0.000 0.648 75 V HN 0.047 nan 8.190 nan 0.000 0.447 76 Y N 0.275 120.608 120.300 0.056 0.000 2.639 76 Y HA 0.089 4.639 4.550 0.001 0.000 0.297 76 Y C 1.631 177.556 175.900 0.041 0.000 1.151 76 Y CA 0.597 58.724 58.100 0.046 0.000 1.335 76 Y CB -0.733 37.754 38.460 0.045 0.000 0.994 76 Y HN 0.410 nan 8.280 nan 0.000 0.548 77 Q N 0.061 119.950 119.800 0.149 0.000 2.475 77 Q HA -0.354 3.986 4.340 0.001 0.000 0.280 77 Q C -0.323 175.748 176.000 0.119 0.000 1.234 77 Q CA 0.594 56.459 55.803 0.104 0.000 0.873 77 Q CB -1.613 27.165 28.738 0.068 0.000 1.256 77 Q HN 0.537 nan 8.270 nan 0.000 0.475 78 Q N -2.179 117.711 119.800 0.151 0.000 2.451 78 Q HA -0.226 4.114 4.340 0.001 0.000 0.305 78 Q C 0.704 176.784 176.000 0.135 0.000 1.345 78 Q CA 1.916 57.797 55.803 0.131 0.000 0.854 78 Q CB -1.905 26.886 28.738 0.089 0.000 1.162 78 Q HN 1.029 nan 8.270 nan 0.000 0.440 79 G N -1.041 107.851 108.800 0.153 0.000 2.221 79 G HA2 -0.336 3.624 3.960 0.001 0.000 0.265 79 G HA3 -0.336 3.624 3.960 0.001 0.000 0.265 79 G C 0.431 175.396 174.900 0.108 0.000 1.041 79 G CA 0.419 45.596 45.100 0.127 0.000 0.807 79 G HN 0.332 nan 8.290 nan 0.000 0.502 80 Q N -1.430 118.432 119.800 0.102 0.000 2.245 80 Q HA 0.443 4.783 4.340 0.001 0.000 0.236 80 Q C 2.571 178.609 176.000 0.062 0.000 0.842 80 Q CA 0.972 56.819 55.803 0.074 0.000 0.945 80 Q CB 0.230 29.005 28.738 0.062 0.000 1.122 80 Q HN 0.742 nan 8.270 nan 0.000 0.506 81 A N 0.567 123.430 122.820 0.072 0.000 1.829 81 A HA -0.157 4.164 4.320 0.001 0.000 0.216 81 A C 1.531 179.144 177.584 0.049 0.000 1.207 81 A CA 1.456 53.521 52.037 0.047 0.000 0.622 81 A CB -0.733 18.294 19.000 0.045 0.000 0.846 81 A HN 0.407 nan 8.150 nan 0.000 0.447 82 C N 0.012 119.355 119.300 0.072 0.000 2.293 82 C HA 0.354 4.814 4.460 0.001 0.000 0.380 82 C C 2.071 177.110 174.990 0.082 0.000 1.343 82 C CA 0.317 59.386 59.018 0.084 0.000 1.754 82 C CB -2.001 25.800 27.740 0.101 0.000 2.265 82 C HN 0.687 nan 8.230 nan 0.000 0.579 83 T N 0.471 115.065 114.554 0.067 0.000 3.035 83 T HA -0.046 4.305 4.350 0.001 0.000 0.268 83 T C 1.316 176.053 174.700 0.061 0.000 1.109 83 T CA 1.390 63.527 62.100 0.061 0.000 1.119 83 T CB -0.415 68.485 68.868 0.052 0.000 0.900 83 T HN 0.663 nan 8.240 nan 0.000 0.503 84 N N 0.924 119.661 118.700 0.062 0.000 2.275 84 N HA 0.109 4.849 4.740 0.001 0.000 0.236 84 N C -0.846 174.720 175.510 0.092 0.000 1.154 84 N CA 0.008 53.095 53.050 0.062 0.000 0.866 84 N CB 0.820 39.330 38.487 0.037 0.000 1.093 84 N HN 0.240 nan 8.380 nan 0.000 0.515 85 T N 0.808 115.432 114.554 0.117 0.000 2.792 85 T HA 0.339 4.690 4.350 0.001 0.000 0.280 85 T C -0.299 174.494 174.700 0.155 0.000 0.990 85 T CA -0.510 61.687 62.100 0.162 0.000 0.960 85 T CB 2.025 71.011 68.868 0.197 0.000 0.939 85 T HN -0.068 nan 8.240 nan 0.000 0.439 86 K N 1.974 122.477 120.400 0.172 0.000 2.265 86 K HA 0.621 4.941 4.320 0.001 0.000 0.267 86 K C -0.830 175.933 176.600 0.272 0.000 0.994 86 K CA -0.563 55.845 56.287 0.201 0.000 0.860 86 K CB 0.956 33.499 32.500 0.073 0.000 1.099 86 K HN 0.548 nan 8.250 nan 0.000 0.448 87 C N 2.888 122.355 119.300 0.278 0.000 2.435 87 C HA 0.548 5.008 4.460 0.001 0.000 0.333 87 C C -0.683 174.363 174.990 0.095 0.000 1.202 87 C CA -0.920 58.200 59.018 0.170 0.000 1.830 87 C CB 0.480 28.256 27.740 0.060 0.000 2.326 87 C HN 0.702 nan 8.230 nan 0.000 0.507 88 L N 2.974 124.099 121.223 -0.163 0.000 2.349 88 L HA 0.712 5.052 4.340 0.001 0.000 0.278 88 L C -0.735 175.941 176.870 -0.324 0.000 0.996 88 L CA 0.077 54.665 54.840 -0.420 0.000 0.825 88 L CB 1.413 42.827 42.059 -1.075 0.000 1.243 88 L HN 0.559 nan 8.230 nan 0.000 0.412 89 V N 5.591 125.331 119.914 -0.290 0.000 2.417 89 V HA 0.494 4.615 4.120 0.001 0.000 0.291 89 V C -0.311 175.592 176.094 -0.318 0.000 1.024 89 V CA -0.787 61.348 62.300 -0.276 0.000 0.861 89 V CB 1.722 33.413 31.823 -0.221 0.000 0.985 89 V HN 0.449 nan 8.190 nan 0.000 0.436 90 V N 3.927 123.621 119.914 -0.366 0.000 2.370 90 V HA 0.876 4.996 4.120 0.001 0.000 0.279 90 V C 0.602 176.511 176.094 -0.309 0.000 1.029 90 V CA 0.306 62.372 62.300 -0.391 0.000 0.870 90 V CB 0.756 32.209 31.823 -0.617 0.000 0.984 90 V HN 1.331 nan 8.190 nan 0.000 0.451 91 G N 4.149 112.794 108.800 -0.258 0.000 3.209 91 G HA2 0.263 4.223 3.960 0.001 0.000 0.686 91 G HA3 0.263 4.223 3.960 0.001 0.000 0.686 91 G C -0.104 174.691 174.900 -0.174 0.000 1.065 91 G CA -0.275 44.707 45.100 -0.196 0.000 0.812 91 G HN 1.523 nan 8.290 nan 0.000 0.573 92 A N 1.952 124.699 122.820 -0.121 0.000 2.833 92 A HA 0.753 5.074 4.320 0.001 0.000 0.293 92 A C 1.475 179.052 177.584 -0.013 0.000 1.338 92 A CA 1.110 53.102 52.037 -0.075 0.000 0.959 92 A CB -0.262 18.703 19.000 -0.059 0.000 1.094 92 A HN 2.180 nan 8.150 nan 0.000 0.569 93 G N 0.284 109.046 108.800 -0.065 0.000 2.653 93 G HA2 0.374 4.335 3.960 0.001 0.000 0.265 93 G HA3 0.374 4.335 3.960 0.001 0.000 0.265 93 G C -0.792 174.024 174.900 -0.139 0.000 1.237 93 G CA -0.750 44.292 45.100 -0.096 0.000 0.946 93 G HN 0.162 nan 8.290 nan 0.000 0.522 94 P HA -0.173 nan 4.420 nan 0.000 0.215 94 P C 1.972 179.243 177.300 -0.048 0.000 1.163 94 P CA 1.901 64.954 63.100 -0.078 0.000 0.894 94 P CB -0.173 31.516 31.700 -0.018 0.000 0.791 95 C N -0.495 118.786 119.300 -0.031 0.000 2.432 95 C HA -0.003 4.457 4.460 0.001 0.000 0.277 95 C C 3.157 178.035 174.990 -0.188 0.000 1.249 95 C CA 1.078 60.034 59.018 -0.104 0.000 1.725 95 C CB -2.203 25.508 27.740 -0.050 0.000 2.028 95 C HN 0.297 nan 8.230 nan 0.000 0.477 96 G N 0.865 109.570 108.800 -0.158 0.000 2.476 96 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 96 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 96 G C 1.571 176.357 174.900 -0.189 0.000 1.164 96 G CA 0.981 45.976 45.100 -0.175 0.000 0.768 96 G HN 0.557 nan 8.290 nan 0.000 0.560 97 L N -0.415 120.694 121.223 -0.190 0.000 2.046 97 L HA -0.028 4.313 4.340 0.001 0.000 0.208 97 L C 2.922 179.659 176.870 -0.223 0.000 1.077 97 L CA 1.270 55.994 54.840 -0.194 0.000 0.747 97 L CB -0.305 41.644 42.059 -0.184 0.000 0.896 97 L HN 0.137 nan 8.230 nan 0.000 0.432 98 R N 0.481 120.795 120.500 -0.311 0.000 2.081 98 R HA -0.145 4.196 4.340 0.001 0.000 0.235 98 R C 2.224 178.370 176.300 -0.257 0.000 1.131 98 R CA 1.642 57.485 56.100 -0.429 0.000 0.960 98 R CB -0.622 29.100 30.300 -0.963 0.000 0.856 98 R HN 0.339 nan 8.270 nan 0.000 0.436 99 A N 0.245 122.936 122.820 -0.215 0.000 1.865 99 A HA -0.103 4.218 4.320 0.001 0.000 0.217 99 A C 2.399 179.928 177.584 -0.092 0.000 1.191 99 A CA 1.989 53.955 52.037 -0.119 0.000 0.623 99 A CB -1.264 17.661 19.000 -0.126 0.000 0.826 99 A HN 0.486 nan 8.150 nan 0.000 0.444 100 A N -0.552 122.192 122.820 -0.127 0.000 1.873 100 A HA -0.079 4.241 4.320 0.001 0.000 0.218 100 A C 2.256 179.782 177.584 -0.097 0.000 1.193 100 A CA 2.047 54.014 52.037 -0.117 0.000 0.629 100 A CB -1.216 17.694 19.000 -0.150 0.000 0.826 100 A HN 0.467 nan 8.150 nan 0.000 0.447 101 V N 0.319 120.166 119.914 -0.112 0.000 2.250 101 V HA -0.301 3.819 4.120 0.001 0.000 0.250 101 V C 2.667 178.725 176.094 -0.060 0.000 1.060 101 V CA 2.421 64.661 62.300 -0.101 0.000 1.030 101 V CB -0.796 30.962 31.823 -0.108 0.000 0.643 101 V HN 0.550 nan 8.190 nan 0.000 0.445 102 E N -0.181 120.020 120.200 0.003 0.000 2.085 102 E HA -0.180 4.170 4.350 0.001 0.000 0.194 102 E C 2.182 178.845 176.600 0.106 0.000 0.994 102 E CA 1.279 57.744 56.400 0.109 0.000 0.801 102 E CB -0.394 29.421 29.700 0.192 0.000 0.743 102 E HN 0.549 nan 8.360 nan 0.000 0.453 103 L N 0.291 121.542 121.223 0.047 0.000 2.027 103 L HA -0.128 4.213 4.340 0.001 0.000 0.206 103 L C 2.563 179.447 176.870 0.023 0.000 1.074 103 L CA 1.045 55.912 54.840 0.045 0.000 0.745 103 L CB -0.592 41.474 42.059 0.011 0.000 0.898 103 L HN 0.054 nan 8.230 nan 0.000 0.433 104 A N 0.476 123.281 122.820 -0.026 0.000 1.892 104 A HA -0.232 4.088 4.320 0.001 0.000 0.218 104 A C 2.244 179.785 177.584 -0.072 0.000 1.188 104 A CA 1.851 53.855 52.037 -0.056 0.000 0.631 104 A CB -0.893 18.049 19.000 -0.097 0.000 0.822 104 A HN 0.383 nan 8.150 nan 0.000 0.447 105 L N -1.006 120.145 121.223 -0.120 0.000 2.083 105 L HA -0.134 4.206 4.340 0.001 0.000 0.209 105 L C 2.386 179.233 176.870 -0.039 0.000 1.083 105 L CA 0.868 55.560 54.840 -0.245 0.000 0.752 105 L CB -0.458 41.217 42.059 -0.640 0.000 0.899 105 L HN 0.343 nan 8.230 nan 0.000 0.433 106 L N -0.391 120.924 121.223 0.154 0.000 2.362 106 L HA -0.036 4.305 4.340 0.001 0.000 0.219 106 L C 1.539 178.487 176.870 0.130 0.000 1.134 106 L CA 0.895 55.875 54.840 0.234 0.000 0.807 106 L CB -0.464 41.717 42.059 0.203 0.000 0.927 106 L HN 0.542 nan 8.230 nan 0.000 0.447 107 G N -0.889 107.958 108.800 0.077 0.000 2.159 107 G HA2 -0.206 3.755 3.960 0.001 0.000 0.227 107 G HA3 -0.206 3.755 3.960 0.001 0.000 0.227 107 G C 0.327 175.265 174.900 0.062 0.000 0.986 107 G CA -0.140 44.996 45.100 0.061 0.000 0.651 107 G HN 0.492 nan 8.290 nan 0.000 0.523 108 A N -0.167 122.694 122.820 0.068 0.000 2.386 108 A HA 0.734 5.055 4.320 0.001 0.000 0.248 108 A C 0.748 178.375 177.584 0.072 0.000 1.082 108 A CA 0.509 52.594 52.037 0.080 0.000 0.789 108 A CB 0.287 19.338 19.000 0.086 0.000 1.025 108 A HN 0.996 nan 8.150 nan 0.000 0.490 109 R N 1.106 121.669 120.500 0.106 0.000 2.401 109 R HA 0.380 4.720 4.340 0.001 0.000 0.299 109 R C -1.266 175.107 176.300 0.122 0.000 1.064 109 R CA 0.262 56.439 56.100 0.128 0.000 1.000 109 R CB 0.087 30.512 30.300 0.209 0.000 0.973 109 R HN 0.392 nan 8.270 nan 0.000 0.438 110 V N 6.140 126.076 119.914 0.036 0.000 2.350 110 V HA 0.314 4.435 4.120 0.001 0.000 0.285 110 V C -0.637 175.374 176.094 -0.137 0.000 1.014 110 V CA -0.838 61.441 62.300 -0.036 0.000 0.831 110 V CB 1.610 33.396 31.823 -0.062 0.000 1.000 110 V HN 0.519 nan 8.190 nan 0.000 0.433 111 V N 6.514 126.289 119.914 -0.231 0.000 2.384 111 V HA 0.484 4.604 4.120 0.001 0.000 0.287 111 V C -0.254 175.660 176.094 -0.300 0.000 1.020 111 V CA -0.473 61.608 62.300 -0.365 0.000 0.850 111 V CB 1.816 33.185 31.823 -0.757 0.000 0.987 111 V HN 0.737 nan 8.190 nan 0.000 0.436 112 L N 7.246 128.299 121.223 -0.283 0.000 2.313 112 L HA 0.778 5.119 4.340 0.001 0.000 0.283 112 L C -0.341 176.344 176.870 -0.309 0.000 1.013 112 L CA -0.503 54.157 54.840 -0.299 0.000 0.816 112 L CB 1.669 43.541 42.059 -0.313 0.000 1.236 112 L HN 0.609 nan 8.230 nan 0.000 0.419 113 V N 1.568 121.320 119.914 -0.270 0.000 2.732 113 V HA 0.837 4.957 4.120 0.001 0.000 0.310 113 V C -0.815 175.125 176.094 -0.258 0.000 1.053 113 V CA -0.494 61.672 62.300 -0.223 0.000 0.957 113 V CB 1.692 33.442 31.823 -0.122 0.000 1.018 113 V HN 0.870 nan 8.190 nan 0.000 0.452 114 E N 2.163 122.225 120.200 -0.229 0.000 2.343 114 E HA 0.322 4.673 4.350 0.001 0.000 0.288 114 E C 0.179 176.761 176.600 -0.030 0.000 0.907 114 E CA -0.184 56.111 56.400 -0.174 0.000 0.792 114 E CB 1.992 31.503 29.700 -0.316 0.000 1.275 114 E HN 0.847 nan 8.360 nan 0.000 0.402 115 K N 2.726 123.124 120.400 -0.005 0.000 2.296 115 K HA 0.176 4.496 4.320 0.001 0.000 0.200 115 K C 0.620 177.261 176.600 0.069 0.000 1.048 115 K CA 0.196 56.501 56.287 0.030 0.000 0.966 115 K CB 0.312 32.819 32.500 0.012 0.000 0.754 115 K HN 0.201 nan 8.250 nan 0.000 0.466 116 R N 0.630 121.188 120.500 0.096 0.000 2.517 116 R HA 0.310 4.650 4.340 0.001 0.000 0.250 116 R C 1.220 177.611 176.300 0.152 0.000 1.213 116 R CA 0.183 56.342 56.100 0.099 0.000 1.146 116 R CB 0.503 30.855 30.300 0.087 0.000 1.279 116 R HN 0.380 nan 8.270 nan 0.000 0.597 117 I N -3.404 117.181 120.570 0.025 0.000 4.442 117 I HA 0.343 4.513 4.170 0.001 0.000 0.331 117 I C -0.617 175.258 176.117 -0.403 0.000 1.364 117 I CA -0.313 60.919 61.300 -0.112 0.000 1.207 117 I CB 0.392 38.328 38.000 -0.108 0.000 1.298 117 I HN 0.359 nan 8.210 nan 0.000 0.463 118 K N 0.345 120.539 120.400 -0.344 0.000 2.499 118 K HA 0.577 4.898 4.320 0.001 0.000 0.277 118 K C -1.575 174.780 176.600 -0.408 0.000 1.025 118 K CA -0.713 55.275 56.287 -0.497 0.000 0.900 118 K CB 1.269 33.597 32.500 -0.285 0.000 1.494 118 K HN -0.125 nan 8.250 nan 0.000 0.442 119 F N 1.629 121.513 119.950 -0.110 0.000 2.325 119 F HA 0.305 4.833 4.527 0.001 0.000 0.369 119 F C 0.638 176.349 175.800 -0.149 0.000 1.095 119 F CA -0.997 56.939 58.000 -0.107 0.000 1.082 119 F CB 1.659 40.590 39.000 -0.115 0.000 1.289 119 F HN 0.771 nan 8.300 nan 0.000 0.462 120 S N 0.984 116.687 115.700 0.005 0.000 2.603 120 S HA 0.281 4.752 4.470 0.001 0.000 0.232 120 S C 0.549 174.943 174.600 -0.344 0.000 1.016 120 S CA -0.561 57.554 58.200 -0.142 0.000 0.976 120 S CB 0.087 63.248 63.200 -0.065 0.000 0.921 120 S HN 0.446 nan 8.310 nan 0.000 0.516 121 R N 1.590 121.950 120.500 -0.233 0.000 2.340 121 R HA 0.336 4.677 4.340 0.001 0.000 0.300 121 R C 0.392 176.491 176.300 -0.334 0.000 1.069 121 R CA -0.221 55.740 56.100 -0.231 0.000 0.984 121 R CB 0.288 30.521 30.300 -0.111 0.000 1.003 121 R HN 0.413 nan 8.270 nan 0.000 0.459 122 H N 0.653 119.726 119.070 0.005 0.000 2.654 122 H HA 0.082 4.639 4.556 0.001 0.000 0.264 122 H C -0.052 175.221 175.328 -0.091 0.000 0.954 122 H CA -0.045 55.991 56.048 -0.020 0.000 1.199 122 H CB 0.455 30.240 29.762 0.038 0.000 1.446 122 H HN 0.502 nan 8.280 nan 0.000 0.516 123 N N 2.562 121.264 118.700 0.002 0.000 2.359 123 N HA -0.039 4.701 4.740 0.001 0.000 0.261 123 N C -0.020 175.130 175.510 -0.600 0.000 1.267 123 N CA 0.242 53.163 53.050 -0.215 0.000 0.864 123 N CB 1.641 40.101 38.487 -0.045 0.000 1.063 123 N HN -0.069 nan 8.380 nan 0.000 0.474 124 V N 3.992 123.168 119.914 -1.231 0.000 2.614 124 V HA 0.183 4.304 4.120 0.001 0.000 0.291 124 V C 0.670 176.317 176.094 -0.744 0.000 1.049 124 V CA -0.277 61.479 62.300 -0.907 0.000 1.038 124 V CB 0.737 32.006 31.823 -0.924 0.000 0.980 124 V HN 0.383 nan 8.190 nan 0.000 0.481 125 L N 3.876 124.793 121.223 -0.510 0.000 2.333 125 L HA 0.499 4.840 4.340 0.001 0.000 0.280 125 L C -0.125 176.550 176.870 -0.324 0.000 1.004 125 L CA -0.828 53.790 54.840 -0.370 0.000 0.820 125 L CB 1.316 43.177 42.059 -0.330 0.000 1.247 125 L HN 0.635 nan 8.230 nan 0.000 0.416 126 H N 3.056 121.949 119.070 -0.296 0.000 2.790 126 H HA 0.409 4.966 4.556 0.001 0.000 0.358 126 H C -0.992 174.274 175.328 -0.104 0.000 1.103 126 H CA 0.496 56.440 56.048 -0.173 0.000 1.426 126 H CB 0.686 30.472 29.762 0.041 0.000 1.424 126 H HN 0.401 nan 8.280 nan 0.000 0.599 127 L N 4.185 125.093 121.223 -0.524 0.000 2.381 127 L HA 0.243 4.583 4.340 0.001 0.000 0.268 127 L C -0.843 175.993 176.870 -0.057 0.000 0.997 127 L CA -0.989 53.681 54.840 -0.283 0.000 0.818 127 L CB 1.358 43.222 42.059 -0.326 0.000 1.310 127 L HN 0.610 nan 8.230 nan 0.000 0.416 128 W N 3.279 124.456 121.300 -0.205 0.000 2.272 128 W HA 0.311 4.972 4.660 0.001 0.000 0.318 128 W C -1.358 175.100 176.519 -0.103 0.000 1.255 128 W CA -1.999 55.313 57.345 -0.055 0.000 1.200 128 W CB 0.116 29.648 29.460 0.120 0.000 1.170 128 W HN 0.324 nan 8.180 nan 0.000 0.549 129 P HA -0.344 nan 4.420 nan 0.000 0.222 129 P C 1.561 178.921 177.300 0.101 0.000 1.157 129 P CA 2.295 65.432 63.100 0.061 0.000 0.905 129 P CB -0.288 31.432 31.700 0.033 0.000 0.792 130 F N -0.846 119.133 119.950 0.048 0.000 2.206 130 F HA -0.043 4.484 4.527 0.001 0.000 0.298 130 F C 1.857 177.738 175.800 0.135 0.000 1.090 130 F CA 1.524 59.522 58.000 -0.004 0.000 1.323 130 F CB -1.700 37.198 39.000 -0.170 0.000 1.028 130 F HN -0.211 nan 8.300 nan 0.000 0.492 131 T N 1.992 115.991 114.554 -0.926 0.000 2.777 131 T HA -0.065 4.285 4.350 0.001 0.000 0.266 131 T C 2.033 176.595 174.700 -0.231 0.000 1.040 131 T CA 1.866 63.495 62.100 -0.785 0.000 1.141 131 T CB -0.503 67.814 68.868 -0.919 0.000 0.868 131 T HN 0.312 nan 8.240 nan 0.000 0.444 132 I N 0.735 121.227 120.570 -0.130 0.000 2.113 132 I HA -0.302 3.868 4.170 0.001 0.000 0.242 132 I C 2.605 178.831 176.117 0.181 0.000 1.064 132 I CA 1.722 63.036 61.300 0.023 0.000 1.320 132 I CB -0.474 37.479 38.000 -0.078 0.000 1.028 132 I HN 0.400 nan 8.210 nan 0.000 0.406 133 H N 0.428 119.528 119.070 0.050 0.000 2.389 133 H HA -0.200 4.356 4.556 0.001 0.000 0.299 133 H C 1.865 177.261 175.328 0.113 0.000 1.081 133 H CA 2.090 58.191 56.048 0.087 0.000 1.345 133 H CB 0.015 29.813 29.762 0.060 0.000 1.393 133 H HN 0.375 nan 8.280 nan 0.000 0.520 134 D N 0.442 120.913 120.400 0.119 0.000 2.116 134 D HA -0.164 4.476 4.640 0.001 0.000 0.193 134 D C 2.583 178.921 176.300 0.064 0.000 0.998 134 D CA 1.434 55.522 54.000 0.146 0.000 0.836 134 D CB -0.328 40.661 40.800 0.315 0.000 0.951 134 D HN 0.396 nan 8.370 nan 0.000 0.449 135 L N -0.293 120.976 121.223 0.077 0.000 2.046 135 L HA -0.094 4.246 4.340 0.001 0.000 0.208 135 L C 2.866 179.627 176.870 -0.183 0.000 1.077 135 L CA 1.055 55.882 54.840 -0.021 0.000 0.747 135 L CB -0.536 41.521 42.059 -0.004 0.000 0.896 135 L HN 0.059 nan 8.230 nan 0.000 0.432 136 R N 0.328 120.751 120.500 -0.127 0.000 2.091 136 R HA -0.200 4.140 4.340 0.001 0.000 0.238 136 R C 2.224 178.409 176.300 -0.192 0.000 1.136 136 R CA 1.609 57.618 56.100 -0.151 0.000 0.959 136 R CB -0.227 30.071 30.300 -0.003 0.000 0.856 136 R HN 0.384 nan 8.270 nan 0.000 0.437 137 A N 0.238 122.919 122.820 -0.232 0.000 2.066 137 A HA -0.004 4.316 4.320 0.001 0.000 0.218 137 A C 1.805 179.341 177.584 -0.080 0.000 1.157 137 A CA 0.619 52.553 52.037 -0.172 0.000 0.670 137 A CB -0.066 18.820 19.000 -0.189 0.000 0.804 137 A HN 0.302 nan 8.150 nan 0.000 0.453 138 L N -0.736 120.448 121.223 -0.065 0.000 2.627 138 L HA 0.196 4.537 4.340 0.001 0.000 0.232 138 L C 1.376 178.241 176.870 -0.009 0.000 1.150 138 L CA 0.466 55.299 54.840 -0.013 0.000 0.917 138 L CB -0.209 41.857 42.059 0.012 0.000 1.104 138 L HN 0.561 nan 8.230 nan 0.000 0.445 139 G N -0.229 108.500 108.800 -0.119 0.000 2.182 139 G HA2 -0.318 3.642 3.960 0.001 0.000 0.248 139 G HA3 -0.318 3.642 3.960 0.001 0.000 0.248 139 G C 0.993 175.705 174.900 -0.314 0.000 1.042 139 G CA 0.334 45.283 45.100 -0.252 0.000 0.775 139 G HN 0.438 nan 8.290 nan 0.000 0.501 140 A N -0.458 122.185 122.820 -0.295 0.000 1.972 140 A HA 0.062 4.383 4.320 0.001 0.000 0.219 140 A C 2.220 179.571 177.584 -0.388 0.000 1.169 140 A CA 2.348 54.127 52.037 -0.430 0.000 0.635 140 A CB -0.225 18.139 19.000 -1.060 0.000 0.810 140 A HN 0.521 nan 8.150 nan 0.000 0.446 141 K N 0.039 120.242 120.400 -0.328 0.000 2.217 141 K HA -0.043 4.278 4.320 0.001 0.000 0.202 141 K C 1.828 178.309 176.600 -0.198 0.000 1.051 141 K CA 1.531 57.706 56.287 -0.187 0.000 0.952 141 K CB -0.111 32.324 32.500 -0.108 0.000 0.736 141 K HN 0.378 nan 8.250 nan 0.000 0.453 142 K N -0.874 119.328 120.400 -0.330 0.000 2.137 142 K HA 0.059 4.379 4.320 0.001 0.000 0.202 142 K C 1.368 177.786 176.600 -0.304 0.000 1.052 142 K CA 1.059 57.116 56.287 -0.383 0.000 0.961 142 K CB -0.194 31.954 32.500 -0.587 0.000 0.741 142 K HN 0.017 nan 8.250 nan 0.000 0.452 143 F N -0.763 119.109 119.950 -0.130 0.000 2.558 143 F HA 0.152 4.679 4.527 0.001 0.000 0.298 143 F C 0.190 175.979 175.800 -0.019 0.000 1.119 143 F CA 0.221 58.142 58.000 -0.131 0.000 1.451 143 F CB -0.105 38.793 39.000 -0.171 0.000 1.091 143 F HN -0.068 nan 8.300 nan 0.000 0.563 144 Y N -0.461 119.827 120.300 -0.020 0.000 2.362 144 Y HA 0.526 5.076 4.550 0.001 0.000 0.326 144 Y C 0.716 176.618 175.900 0.003 0.000 1.083 144 Y CA -1.654 56.437 58.100 -0.014 0.000 1.073 144 Y CB 1.286 39.739 38.460 -0.013 0.000 1.211 144 Y HN -0.069 nan 8.280 nan 0.000 0.433 145 G N 4.201 112.868 108.800 -0.221 0.000 2.404 145 G HA2 -0.123 3.838 3.960 0.001 0.000 0.214 145 G HA3 -0.123 3.838 3.960 0.001 0.000 0.214 145 G C 0.657 175.303 174.900 -0.423 0.000 1.189 145 G CA 0.129 45.074 45.100 -0.258 0.000 0.789 145 G HN 0.556 nan 8.290 nan 0.000 0.533 146 R N 0.031 120.077 120.500 -0.756 0.000 3.541 146 R HA 0.259 4.599 4.340 0.001 0.000 0.277 146 R C -0.617 175.278 176.300 -0.676 0.000 1.539 146 R CA -0.644 55.107 56.100 -0.581 0.000 1.338 146 R CB -0.338 29.752 30.300 -0.350 0.000 1.343 146 R HN 0.270 nan 8.270 nan 0.000 0.623 147 F N 0.038 119.537 119.950 -0.751 0.000 2.467 147 F HA 0.052 4.580 4.527 0.001 0.000 0.362 147 F C 0.717 176.397 175.800 -0.200 0.000 1.090 147 F CA -0.936 56.858 58.000 -0.342 0.000 1.202 147 F CB 0.378 39.300 39.000 -0.131 0.000 1.113 147 F HN 0.284 nan 8.300 nan 0.000 0.541 148 C N 4.660 123.438 119.300 -0.869 0.000 3.447 148 C HA -0.245 4.216 4.460 0.001 0.000 0.270 148 C C 0.952 175.640 174.990 -0.504 0.000 1.417 148 C CA 1.137 59.667 59.018 -0.813 0.000 2.101 148 C CB -2.949 24.137 27.740 -1.091 0.000 1.375 148 C HN 0.969 nan 8.230 nan 0.000 0.564 149 T N 0.359 114.683 114.554 -0.384 0.000 2.738 149 T HA 0.491 4.841 4.350 0.001 0.000 0.294 149 T C 0.827 175.408 174.700 -0.198 0.000 0.914 149 T CA 1.752 63.700 62.100 -0.253 0.000 1.052 149 T CB 0.072 68.812 68.868 -0.212 0.000 0.897 149 T HN 1.911 nan 8.240 nan 0.000 0.522 150 G N 3.883 112.586 108.800 -0.162 0.000 2.466 150 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 150 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 150 G C 0.932 175.753 174.900 -0.131 0.000 1.237 150 G CA 0.405 45.434 45.100 -0.120 0.000 0.954 150 G HN 1.145 nan 8.290 nan 0.000 0.580 151 T N -0.039 114.454 114.554 -0.100 0.000 3.163 151 T HA 0.361 4.712 4.350 0.001 0.000 0.260 151 T C 1.419 176.041 174.700 -0.130 0.000 1.156 151 T CA 0.942 62.987 62.100 -0.093 0.000 1.072 151 T CB -0.413 68.426 68.868 -0.048 0.000 0.937 151 T HN 0.680 nan 8.240 nan 0.000 0.528 152 L N 2.989 124.096 121.223 -0.193 0.000 2.490 152 L HA 0.229 4.570 4.340 0.001 0.000 0.274 152 L C 0.123 176.741 176.870 -0.420 0.000 1.201 152 L CA -0.116 54.533 54.840 -0.318 0.000 0.869 152 L CB 0.277 42.059 42.059 -0.462 0.000 1.123 152 L HN 0.431 nan 8.230 nan 0.000 0.484 153 D N 1.290 121.429 120.400 -0.434 0.000 2.861 153 D HA 0.231 4.872 4.640 0.001 0.000 0.357 153 D C -0.652 175.358 176.300 -0.482 0.000 1.250 153 D CA -0.516 53.215 54.000 -0.450 0.000 0.802 153 D CB 0.104 40.693 40.800 -0.351 0.000 1.141 153 D HN 0.609 nan 8.370 nan 0.000 0.489 154 H N -1.688 117.135 119.070 -0.412 0.000 2.947 154 H HA 0.626 5.183 4.556 0.001 0.000 0.354 154 H C -1.679 173.459 175.328 -0.316 0.000 1.085 154 H CA -1.011 54.772 56.048 -0.441 0.000 1.253 154 H CB 0.781 30.167 29.762 -0.627 0.000 1.757 154 H HN 0.093 nan 8.280 nan 0.000 0.523 155 I N 2.332 122.819 120.570 -0.139 0.000 2.607 155 I HA 0.510 4.680 4.170 0.001 0.000 0.305 155 I C 0.022 176.039 176.117 -0.165 0.000 0.995 155 I CA -0.454 60.799 61.300 -0.079 0.000 1.148 155 I CB 1.724 39.689 38.000 -0.057 0.000 1.323 155 I HN 0.928 nan 8.210 nan 0.000 0.461 156 S N 5.715 121.315 115.700 -0.168 0.000 2.610 156 S HA 0.367 4.838 4.470 0.001 0.000 0.273 156 S C 1.264 175.711 174.600 -0.256 0.000 1.274 156 S CA -0.552 57.514 58.200 -0.223 0.000 1.023 156 S CB 0.972 64.081 63.200 -0.151 0.000 0.962 156 S HN 0.600 nan 8.310 nan 0.000 0.523 157 I N 1.581 121.993 120.570 -0.264 0.000 2.118 157 I HA -0.304 3.866 4.170 0.001 0.000 0.241 157 I C 2.864 178.801 176.117 -0.301 0.000 1.070 157 I CA 2.083 63.219 61.300 -0.272 0.000 1.327 157 I CB -0.581 37.270 38.000 -0.249 0.000 1.034 157 I HN 0.804 nan 8.210 nan 0.000 0.405 158 R N 0.641 120.982 120.500 -0.265 0.000 2.090 158 R HA -0.128 4.213 4.340 0.001 0.000 0.228 158 R C 2.106 178.205 176.300 -0.336 0.000 1.110 158 R CA 0.869 56.802 56.100 -0.278 0.000 0.973 158 R CB -0.570 29.654 30.300 -0.126 0.000 0.869 158 R HN 0.321 nan 8.270 nan 0.000 0.440 159 Q N 1.076 120.673 119.800 -0.339 0.000 2.124 159 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 159 Q C 2.133 177.847 176.000 -0.477 0.000 0.977 159 Q CA 1.100 56.602 55.803 -0.501 0.000 0.850 159 Q CB -0.347 27.936 28.738 -0.759 0.000 0.901 159 Q HN 0.294 nan 8.270 nan 0.000 0.429 160 L N 1.096 122.094 121.223 -0.375 0.000 1.994 160 L HA -0.195 4.145 4.340 0.001 0.000 0.208 160 L C 2.213 178.878 176.870 -0.341 0.000 1.071 160 L CA 1.870 56.538 54.840 -0.287 0.000 0.745 160 L CB -0.739 41.184 42.059 -0.228 0.000 0.892 160 L HN 0.186 nan 8.230 nan 0.000 0.431 161 Q N -0.871 118.634 119.800 -0.491 0.000 2.096 161 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 161 Q C 2.279 177.872 176.000 -0.678 0.000 0.982 161 Q CA 2.062 57.408 55.803 -0.760 0.000 0.850 161 Q CB -0.286 27.588 28.738 -1.440 0.000 0.901 161 Q HN 0.512 nan 8.270 nan 0.000 0.422 162 L N 0.125 121.038 121.223 -0.517 0.000 1.970 162 L HA -0.242 4.098 4.340 0.001 0.000 0.212 162 L C 2.421 179.099 176.870 -0.320 0.000 1.071 162 L CA 0.978 55.664 54.840 -0.257 0.000 0.751 162 L CB -0.729 41.216 42.059 -0.191 0.000 0.889 162 L HN 0.321 nan 8.230 nan 0.000 0.432 163 L N -0.118 120.911 121.223 -0.322 0.000 2.021 163 L HA -0.252 4.088 4.340 0.001 0.000 0.215 163 L C 2.284 178.952 176.870 -0.336 0.000 1.074 163 L CA 1.936 56.598 54.840 -0.298 0.000 0.760 163 L CB -0.683 41.266 42.059 -0.185 0.000 0.889 163 L HN 0.122 nan 8.230 nan 0.000 0.433 164 L N -1.231 119.832 121.223 -0.267 0.000 2.056 164 L HA -0.168 4.173 4.340 0.001 0.000 0.207 164 L C 2.570 179.298 176.870 -0.237 0.000 1.078 164 L CA 1.197 55.903 54.840 -0.224 0.000 0.749 164 L CB -0.749 41.195 42.059 -0.191 0.000 0.901 164 L HN 0.439 nan 8.230 nan 0.000 0.433 165 L N 0.299 121.391 121.223 -0.218 0.000 2.013 165 L HA -0.254 4.086 4.340 0.001 0.000 0.212 165 L C 2.473 179.215 176.870 -0.213 0.000 1.073 165 L CA 1.894 56.665 54.840 -0.116 0.000 0.753 165 L CB -0.556 41.560 42.059 0.095 0.000 0.890 165 L HN 0.112 nan 8.230 nan 0.000 0.432 166 K N -0.986 119.173 120.400 -0.401 0.000 2.103 166 K HA -0.147 4.174 4.320 0.001 0.000 0.207 166 K C 1.877 178.274 176.600 -0.340 0.000 1.048 166 K CA 1.645 57.610 56.287 -0.537 0.000 0.930 166 K CB -0.406 31.338 32.500 -1.259 0.000 0.716 166 K HN 0.347 nan 8.250 nan 0.000 0.444 167 V N 1.210 120.915 119.914 -0.348 0.000 2.346 167 V HA -0.178 3.942 4.120 0.001 0.000 0.244 167 V C 2.404 178.433 176.094 -0.109 0.000 1.037 167 V CA 1.766 63.992 62.300 -0.124 0.000 1.029 167 V CB -0.759 31.020 31.823 -0.073 0.000 0.663 167 V HN 0.329 nan 8.190 nan 0.000 0.454 168 A N 0.319 123.051 122.820 -0.147 0.000 1.903 168 A HA -0.252 4.068 4.320 0.001 0.000 0.219 168 A C 2.252 179.754 177.584 -0.137 0.000 1.191 168 A CA 2.333 54.287 52.037 -0.139 0.000 0.638 168 A CB -0.729 18.186 19.000 -0.142 0.000 0.823 168 A HN 0.501 nan 8.150 nan 0.000 0.451 169 L N -0.812 120.294 121.223 -0.196 0.000 2.017 169 L HA -0.182 4.159 4.340 0.001 0.000 0.208 169 L C 2.647 179.421 176.870 -0.160 0.000 1.073 169 L CA 1.134 55.766 54.840 -0.347 0.000 0.745 169 L CB -0.563 40.984 42.059 -0.853 0.000 0.894 169 L HN 0.399 nan 8.230 nan 0.000 0.432 170 L N -0.389 120.827 121.223 -0.012 0.000 2.042 170 L HA -0.234 4.106 4.340 0.001 0.000 0.210 170 L C 2.165 179.151 176.870 0.193 0.000 1.076 170 L CA 1.322 56.332 54.840 0.283 0.000 0.749 170 L CB -0.425 41.894 42.059 0.433 0.000 0.893 170 L HN 0.311 nan 8.230 nan 0.000 0.432 171 L N -0.135 121.068 121.223 -0.033 0.000 2.645 171 L HA 0.099 4.440 4.340 0.001 0.000 0.235 171 L C 1.260 178.093 176.870 -0.062 0.000 1.150 171 L CA 0.434 55.173 54.840 -0.168 0.000 0.911 171 L CB -0.471 41.444 42.059 -0.240 0.000 1.077 171 L HN 0.502 nan 8.230 nan 0.000 0.438 172 G N -0.190 108.620 108.800 0.018 0.000 2.137 172 G HA2 -0.244 3.716 3.960 0.001 0.000 0.237 172 G HA3 -0.244 3.716 3.960 0.001 0.000 0.237 172 G C 0.221 175.112 174.900 -0.015 0.000 1.002 172 G CA -0.022 45.100 45.100 0.036 0.000 0.702 172 G HN 0.103 nan 8.290 nan 0.000 0.515 173 V N 0.728 120.608 119.914 -0.057 0.000 2.585 173 V HA 0.228 4.349 4.120 0.001 0.000 0.296 173 V C 1.030 177.056 176.094 -0.112 0.000 1.035 173 V CA 0.418 62.660 62.300 -0.096 0.000 1.084 173 V CB 1.535 33.280 31.823 -0.130 0.000 0.953 173 V HN 0.488 nan 8.190 nan 0.000 0.483 174 E N 5.257 125.370 120.200 -0.146 0.000 2.180 174 E HA 0.352 4.702 4.350 0.001 0.000 0.283 174 E C -0.866 175.537 176.600 -0.329 0.000 1.061 174 E CA -0.340 55.930 56.400 -0.216 0.000 0.861 174 E CB 0.499 30.074 29.700 -0.208 0.000 1.056 174 E HN 0.599 nan 8.360 nan 0.000 0.407 175 I N 4.928 125.272 120.570 -0.376 0.000 2.378 175 I HA 0.259 4.429 4.170 0.001 0.000 0.291 175 I C -0.222 175.509 176.117 -0.644 0.000 0.992 175 I CA -0.821 60.180 61.300 -0.499 0.000 1.154 175 I CB 1.270 38.988 38.000 -0.470 0.000 1.315 175 I HN 0.473 nan 8.210 nan 0.000 0.448 176 H N 4.542 123.348 119.070 -0.439 0.000 2.489 176 H HA 0.307 4.864 4.556 0.001 0.000 0.343 176 H C -1.173 173.890 175.328 -0.441 0.000 1.086 176 H CA -0.541 55.333 56.048 -0.290 0.000 1.198 176 H CB 1.548 31.204 29.762 -0.177 0.000 1.490 176 H HN 0.511 nan 8.280 nan 0.000 0.504 177 W N -0.409 120.919 121.300 0.047 0.000 2.594 177 W HA 0.410 5.071 4.660 0.001 0.000 0.365 177 W C 0.980 177.499 176.519 -0.000 0.000 1.196 177 W CA -0.554 56.784 57.345 -0.011 0.000 1.258 177 W CB 0.556 29.982 29.460 -0.057 0.000 1.405 177 W HN 0.847 nan 8.180 nan 0.000 0.640 178 G N 0.524 109.474 108.800 0.249 0.000 2.422 178 G HA2 -0.045 3.915 3.960 0.001 0.000 0.301 178 G HA3 -0.045 3.915 3.960 0.001 0.000 0.301 178 G C -0.657 174.289 174.900 0.076 0.000 0.981 178 G CA 0.446 45.623 45.100 0.128 0.000 0.994 178 G HN 0.993 nan 8.290 nan 0.000 0.514 179 V N -3.495 116.449 119.914 0.050 0.000 2.623 179 V HA 0.746 4.867 4.120 0.001 0.000 0.304 179 V C -0.131 175.964 176.094 0.003 0.000 1.054 179 V CA -1.756 60.553 62.300 0.016 0.000 0.882 179 V CB 1.964 33.783 31.823 -0.007 0.000 1.002 179 V HN 0.326 nan 8.190 nan 0.000 0.424 180 K N 3.728 124.133 120.400 0.009 0.000 2.240 180 K HA 0.510 4.830 4.320 0.001 0.000 0.271 180 K C -0.881 175.735 176.600 0.026 0.000 1.018 180 K CA -0.752 55.540 56.287 0.010 0.000 0.874 180 K CB 1.210 33.720 32.500 0.017 0.000 1.098 180 K HN 0.745 nan 8.250 nan 0.000 0.458 181 F N 4.085 123.955 119.950 -0.134 0.000 2.495 181 F HA 0.009 4.536 4.527 0.001 0.000 0.365 181 F C 1.150 176.936 175.800 -0.023 0.000 1.090 181 F CA 0.750 58.685 58.000 -0.109 0.000 1.235 181 F CB 0.995 39.864 39.000 -0.218 0.000 1.119 181 F HN 0.729 nan 8.300 nan 0.000 0.562 182 T N 1.568 115.780 114.554 -0.570 0.000 3.026 182 T HA 0.640 4.990 4.350 0.001 0.000 0.245 182 T C 0.691 175.111 174.700 -0.467 0.000 1.004 182 T CA 0.333 62.257 62.100 -0.292 0.000 1.069 182 T CB 0.051 68.841 68.868 -0.129 0.000 1.005 182 T HN 0.897 nan 8.240 nan 0.000 0.472 183 G N 0.585 108.833 108.800 -0.920 0.000 2.364 183 G HA2 0.524 4.484 3.960 0.001 0.000 0.286 183 G HA3 0.524 4.484 3.960 0.001 0.000 0.286 183 G C -2.320 172.442 174.900 -0.230 0.000 1.241 183 G CA -0.960 43.861 45.100 -0.464 0.000 0.887 183 G HN 0.391 nan 8.290 nan 0.000 0.484 184 L N 0.545 121.828 121.223 0.100 0.000 2.381 184 L HA 0.513 4.853 4.340 0.001 0.000 0.268 184 L C -0.576 176.453 176.870 0.265 0.000 0.997 184 L CA -0.976 54.043 54.840 0.299 0.000 0.818 184 L CB 2.334 44.662 42.059 0.448 0.000 1.310 184 L HN 0.312 nan 8.230 nan 0.000 0.416 185 Q N 3.781 123.727 119.800 0.245 0.000 2.360 185 Q HA 0.310 4.651 4.340 0.001 0.000 0.254 185 Q C -2.356 173.615 176.000 -0.048 0.000 0.975 185 Q CA -1.882 53.977 55.803 0.094 0.000 0.912 185 Q CB 1.242 30.008 28.738 0.047 0.000 1.212 185 Q HN 0.227 nan 8.270 nan 0.000 0.452 186 P HA 0.049 nan 4.420 nan 0.000 0.265 186 P C -2.455 174.489 177.300 -0.594 0.000 1.193 186 P CA -1.177 61.510 63.100 -0.688 0.000 0.765 186 P CB -0.205 31.315 31.700 -0.300 0.000 0.823 187 P HA 0.062 nan 4.420 nan 0.000 0.264 187 P C -1.737 175.425 177.300 -0.231 0.000 1.229 187 P CA -1.274 61.542 63.100 -0.472 0.000 0.780 187 P CB -0.166 31.221 31.700 -0.520 0.000 0.808 188 P HA -0.100 nan 4.420 nan 0.000 0.223 188 P C 0.443 177.562 177.300 -0.302 0.000 1.151 188 P CA 1.390 64.392 63.100 -0.163 0.000 0.787 188 P CB 0.459 32.079 31.700 -0.133 0.000 0.788 189 R N -1.860 118.442 120.500 -0.331 0.000 2.817 189 R HA 0.512 4.852 4.340 0.001 0.000 0.268 189 R C -0.963 175.149 176.300 -0.313 0.000 1.027 189 R CA -1.115 54.724 56.100 -0.435 0.000 0.928 189 R CB 0.641 30.792 30.300 -0.248 0.000 1.228 189 R HN -0.452 nan 8.270 nan 0.000 0.469 190 K N 0.587 120.830 120.400 -0.262 0.000 2.021 190 K HA 0.231 4.552 4.320 0.001 0.000 0.238 190 K C 0.220 176.777 176.600 -0.072 0.000 1.149 190 K CA 1.132 57.365 56.287 -0.091 0.000 1.105 190 K CB 0.322 32.791 32.500 -0.052 0.000 1.246 190 K HN 0.869 nan 8.250 nan 0.000 0.307 191 G N 0.289 109.052 108.800 -0.062 0.000 2.598 191 G HA2 -0.104 3.856 3.960 0.001 0.000 0.221 191 G HA3 -0.104 3.856 3.960 0.001 0.000 0.221 191 G C -0.210 174.652 174.900 -0.063 0.000 1.019 191 G CA -0.542 44.527 45.100 -0.052 0.000 0.912 191 G HN 0.419 nan 8.290 nan 0.000 0.574 192 S N -1.533 114.119 115.700 -0.079 0.000 2.810 192 S HA 0.971 5.441 4.470 0.001 0.000 0.315 192 S C 0.342 174.879 174.600 -0.105 0.000 1.138 192 S CA -0.136 58.005 58.200 -0.099 0.000 0.889 192 S CB 2.112 65.228 63.200 -0.139 0.000 1.236 192 S HN 1.305 nan 8.310 nan 0.000 0.548 193 G N -0.781 107.939 108.800 -0.134 0.000 2.798 193 G HA2 0.583 4.544 3.960 0.001 0.000 0.286 193 G HA3 0.583 4.544 3.960 0.001 0.000 0.286 193 G C -2.102 172.660 174.900 -0.229 0.000 1.389 193 G CA -0.840 44.181 45.100 -0.131 0.000 0.894 193 G HN 0.532 nan 8.290 nan 0.000 0.488 194 W N 0.769 121.911 121.300 -0.263 0.000 2.304 194 W HA 0.606 5.267 4.660 0.001 0.000 0.313 194 W C 0.927 177.088 176.519 -0.596 0.000 1.323 194 W CA -0.170 56.939 57.345 -0.392 0.000 1.223 194 W CB 0.816 29.989 29.460 -0.478 0.000 1.237 194 W HN 0.088 nan 8.180 nan 0.000 0.535 195 R N 2.245 122.714 120.500 -0.052 0.000 2.803 195 R HA 0.776 5.117 4.340 0.001 0.000 0.276 195 R C -0.030 176.509 176.300 0.399 0.000 0.978 195 R CA -1.088 55.114 56.100 0.170 0.000 0.939 195 R CB 1.713 32.099 30.300 0.142 0.000 1.179 195 R HN 0.557 nan 8.270 nan 0.000 0.472 196 A N 1.187 124.401 122.820 0.656 0.000 2.249 196 A HA 0.230 4.550 4.320 0.001 0.000 0.281 196 A C -0.579 177.130 177.584 0.207 0.000 1.127 196 A CA -0.189 52.154 52.037 0.510 0.000 0.833 196 A CB 0.661 19.966 19.000 0.507 0.000 1.140 196 A HN 0.648 nan 8.150 nan 0.000 0.502 197 Q N -0.082 119.735 119.800 0.029 0.000 2.337 197 Q HA 0.602 4.942 4.340 0.001 0.000 0.264 197 Q C -1.895 174.041 176.000 -0.108 0.000 1.007 197 Q CA -0.156 55.618 55.803 -0.047 0.000 0.727 197 Q CB 0.839 29.526 28.738 -0.085 0.000 1.256 197 Q HN 0.667 nan 8.270 nan 0.000 0.467 198 L N 1.903 123.105 121.223 -0.036 0.000 2.323 198 L HA 0.642 4.983 4.340 0.001 0.000 0.265 198 L C -0.588 176.270 176.870 -0.020 0.000 1.012 198 L CA -0.840 53.982 54.840 -0.029 0.000 0.820 198 L CB 2.422 44.478 42.059 -0.004 0.000 1.334 198 L HN 0.536 nan 8.230 nan 0.000 0.427 199 Q N 1.201 120.994 119.800 -0.012 0.000 2.345 199 Q HA 0.455 4.795 4.340 0.001 0.000 0.275 199 Q C -2.640 173.364 176.000 0.008 0.000 1.063 199 Q CA -1.823 53.979 55.803 -0.001 0.000 0.819 199 Q CB 3.237 31.977 28.738 0.002 0.000 1.356 199 Q HN 0.276 nan 8.270 nan 0.000 0.418 200 P HA 0.041 nan 4.420 nan 0.000 0.276 200 P C -0.748 176.554 177.300 0.004 0.000 1.244 200 P CA -0.606 62.500 63.100 0.009 0.000 0.801 200 P CB 0.491 32.199 31.700 0.013 0.000 1.006 201 N N 2.379 121.081 118.700 0.002 0.000 1.661 201 N HA -0.096 4.644 4.740 0.001 0.000 0.331 201 N C -1.737 173.768 175.510 -0.009 0.000 1.293 201 N CA 0.355 53.404 53.050 -0.002 0.000 0.828 201 N CB -0.609 37.879 38.487 0.002 0.000 1.096 201 N HN 0.368 nan 8.380 nan 0.000 0.505 202 P HA 0.222 nan 4.420 nan 0.000 0.272 202 P C -2.467 174.800 177.300 -0.055 0.000 1.240 202 P CA -0.944 62.122 63.100 -0.057 0.000 0.791 202 P CB -0.213 31.439 31.700 -0.081 0.000 0.978 203 P HA 0.042 nan 4.420 nan 0.000 0.271 203 P C 0.810 178.085 177.300 -0.041 0.000 1.218 203 P CA -0.069 63.001 63.100 -0.050 0.000 0.780 203 P CB 0.387 32.062 31.700 -0.043 0.000 0.901 204 A N 3.335 126.153 122.820 -0.003 0.000 1.906 204 A HA -0.310 4.010 4.320 0.001 0.000 0.222 204 A C 2.140 179.739 177.584 0.025 0.000 1.282 204 A CA 2.672 54.717 52.037 0.014 0.000 0.675 204 A CB -1.460 17.554 19.000 0.023 0.000 0.838 204 A HN 0.740 nan 8.150 nan 0.000 0.469 205 Q N -0.429 119.392 119.800 0.034 0.000 2.046 205 Q HA -0.150 4.190 4.340 0.001 0.000 0.200 205 Q C 2.030 178.080 176.000 0.084 0.000 0.975 205 Q CA 1.921 57.766 55.803 0.071 0.000 0.836 205 Q CB -1.105 27.688 28.738 0.092 0.000 0.896 205 Q HN 0.595 nan 8.270 nan 0.000 0.428 206 L N 1.584 122.796 121.223 -0.019 0.000 2.043 206 L HA -0.074 4.266 4.340 0.001 0.000 0.212 206 L C 2.487 179.393 176.870 0.061 0.000 1.075 206 L CA 2.405 57.202 54.840 -0.072 0.000 0.752 206 L CB -1.081 40.738 42.059 -0.400 0.000 0.891 206 L HN 0.306 nan 8.230 nan 0.000 0.432 207 A N -1.379 121.463 122.820 0.037 0.000 2.015 207 A HA -0.137 4.184 4.320 0.001 0.000 0.219 207 A C 2.269 179.923 177.584 0.117 0.000 1.163 207 A CA 1.669 53.748 52.037 0.071 0.000 0.646 207 A CB -0.740 18.281 19.000 0.034 0.000 0.806 207 A HN 0.657 nan 8.150 nan 0.000 0.448 208 S N -2.621 113.155 115.700 0.127 0.000 2.540 208 S HA 0.156 4.626 4.470 0.001 0.000 0.218 208 S C 0.352 175.059 174.600 0.178 0.000 0.977 208 S CA -0.454 57.820 58.200 0.123 0.000 0.918 208 S CB -0.576 62.673 63.200 0.082 0.000 0.806 208 S HN 0.431 nan 8.310 nan 0.000 0.496 209 Y N 4.298 124.673 120.300 0.124 0.000 2.713 209 Y HA 0.189 4.740 4.550 0.001 0.000 0.341 209 Y C 0.159 176.248 175.900 0.314 0.000 1.167 209 Y CA -0.334 57.873 58.100 0.179 0.000 1.503 209 Y CB -0.016 38.532 38.460 0.147 0.000 1.199 209 Y HN 0.274 nan 8.280 nan 0.000 0.525 210 E N 7.219 127.290 120.200 -0.216 0.000 2.248 210 E HA 0.473 4.823 4.350 0.001 0.000 0.272 210 E C -1.328 175.105 176.600 -0.279 0.000 1.008 210 E CA -0.792 55.512 56.400 -0.160 0.000 0.856 210 E CB 1.678 31.310 29.700 -0.115 0.000 1.120 210 E HN 0.574 nan 8.360 nan 0.000 0.397 211 F N -0.781 119.061 119.950 -0.179 0.000 2.688 211 F HA 0.269 4.796 4.527 0.001 0.000 0.308 211 F C -0.182 175.671 175.800 0.087 0.000 1.117 211 F CA -1.004 56.938 58.000 -0.097 0.000 0.976 211 F CB 1.072 40.055 39.000 -0.029 0.000 1.291 211 F HN 0.324 nan 8.300 nan 0.000 0.439 212 D N 0.501 121.026 120.400 0.208 0.000 2.417 212 D HA 0.124 4.765 4.640 0.001 0.000 0.207 212 D C -0.300 176.053 176.300 0.090 0.000 1.075 212 D CA 0.314 54.423 54.000 0.182 0.000 0.851 212 D CB 1.068 42.072 40.800 0.339 0.000 0.976 212 D HN 0.265 nan 8.370 nan 0.000 0.505 213 V N 1.875 121.886 119.914 0.162 0.000 2.376 213 V HA 0.305 4.425 4.120 0.001 0.000 0.287 213 V C -0.870 175.295 176.094 0.119 0.000 1.015 213 V CA -0.918 61.376 62.300 -0.009 0.000 0.834 213 V CB 1.788 33.554 31.823 -0.094 0.000 1.001 213 V HN 0.106 nan 8.190 nan 0.000 0.428 214 L N 7.420 128.675 121.223 0.054 0.000 2.294 214 L HA 0.640 4.980 4.340 0.001 0.000 0.283 214 L C -0.609 176.188 176.870 -0.122 0.000 1.015 214 L CA 0.259 55.100 54.840 0.001 0.000 0.831 214 L CB 0.955 43.091 42.059 0.129 0.000 1.217 214 L HN 0.542 nan 8.230 nan 0.000 0.420 215 I N 4.633 125.099 120.570 -0.173 0.000 2.328 215 I HA 0.324 4.494 4.170 0.001 0.000 0.287 215 I C -0.081 175.880 176.117 -0.258 0.000 1.012 215 I CA -0.346 60.842 61.300 -0.187 0.000 1.195 215 I CB 1.538 39.450 38.000 -0.147 0.000 1.350 215 I HN 0.728 nan 8.210 nan 0.000 0.464 216 S N 5.205 120.739 115.700 -0.276 0.000 2.422 216 S HA 0.680 5.150 4.470 0.001 0.000 0.308 216 S C 0.074 174.531 174.600 -0.238 0.000 1.097 216 S CA -0.620 57.389 58.200 -0.319 0.000 1.099 216 S CB 1.650 64.641 63.200 -0.347 0.000 0.976 216 S HN 0.682 nan 8.310 nan 0.000 0.471 217 A N 3.074 125.759 122.820 -0.224 0.000 3.041 217 A HA 0.728 5.049 4.320 0.001 0.000 0.307 217 A C 1.012 178.506 177.584 -0.151 0.000 1.116 217 A CA -0.235 51.702 52.037 -0.166 0.000 1.001 217 A CB -0.562 18.344 19.000 -0.156 0.000 1.112 217 A HN 1.329 nan 8.150 nan 0.000 0.556 218 A N 0.228 122.954 122.820 -0.157 0.000 2.412 218 A HA 0.529 4.850 4.320 0.001 0.000 0.253 218 A C 1.265 178.834 177.584 -0.026 0.000 1.334 218 A CA 0.631 52.575 52.037 -0.155 0.000 0.929 218 A CB -1.209 17.575 19.000 -0.360 0.000 0.983 218 A HN 2.213 nan 8.150 nan 0.000 0.508 219 G N -1.549 107.241 108.800 -0.017 0.000 2.860 219 G HA2 0.085 4.045 3.960 0.001 0.000 0.553 219 G HA3 0.085 4.045 3.960 0.001 0.000 0.553 219 G C 1.027 175.962 174.900 0.059 0.000 1.439 219 G CA -0.351 44.763 45.100 0.022 0.000 0.879 219 G HN 1.243 nan 8.290 nan 0.000 0.545 220 G N -0.293 108.547 108.800 0.067 0.000 2.469 220 G HA2 -0.184 3.777 3.960 0.001 0.000 0.219 220 G HA3 -0.184 3.777 3.960 0.001 0.000 0.219 220 G C 1.567 176.507 174.900 0.067 0.000 1.150 220 G CA 1.666 46.801 45.100 0.058 0.000 0.763 220 G HN 0.858 nan 8.290 nan 0.000 0.561 221 K N -0.801 119.662 120.400 0.104 0.000 2.432 221 K HA 0.104 4.424 4.320 0.001 0.000 0.196 221 K C 0.093 176.773 176.600 0.134 0.000 1.038 221 K CA -0.304 56.048 56.287 0.108 0.000 0.986 221 K CB 0.058 32.634 32.500 0.126 0.000 0.782 221 K HN 0.303 nan 8.250 nan 0.000 0.485 222 F N 1.549 121.504 119.950 0.010 0.000 2.421 222 F HA 0.118 4.646 4.527 0.001 0.000 0.358 222 F C -0.275 175.522 175.800 -0.005 0.000 1.115 222 F CA -0.818 57.190 58.000 0.014 0.000 1.160 222 F CB 0.704 39.714 39.000 0.016 0.000 1.123 222 F HN -0.365 nan 8.300 nan 0.000 0.508 223 V N 8.540 128.104 119.914 -0.584 0.000 2.320 223 V HA 0.265 4.386 4.120 0.001 0.000 0.265 223 V C -2.074 173.656 176.094 -0.608 0.000 1.048 223 V CA -1.551 60.492 62.300 -0.428 0.000 0.865 223 V CB 0.303 31.986 31.823 -0.234 0.000 1.043 223 V HN 0.602 nan 8.190 nan 0.000 0.474 224 P HA 0.237 nan 4.420 nan 0.000 0.282 224 P C 0.016 177.387 177.300 0.117 0.000 1.262 224 P CA -0.449 62.627 63.100 -0.040 0.000 0.773 224 P CB 0.570 32.324 31.700 0.090 0.000 0.879 225 E N 1.953 122.228 120.200 0.125 0.000 2.708 225 E HA 0.061 4.411 4.350 0.001 0.000 0.260 225 E C 1.244 177.945 176.600 0.169 0.000 0.937 225 E CA 1.553 58.026 56.400 0.121 0.000 0.953 225 E CB -0.279 29.490 29.700 0.116 0.000 0.915 225 E HN 0.786 nan 8.360 nan 0.000 0.487 226 G N 3.703 112.560 108.800 0.095 0.000 2.345 226 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 226 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 226 G C 0.060 174.936 174.900 -0.040 0.000 1.058 226 G CA -0.041 45.063 45.100 0.005 0.000 0.632 226 G HN 0.514 nan 8.290 nan 0.000 0.508 227 F N 2.466 122.403 119.950 -0.022 0.000 2.459 227 F HA 0.520 5.047 4.527 0.001 0.000 0.346 227 F C 1.078 176.867 175.800 -0.019 0.000 1.128 227 F CA 0.649 58.636 58.000 -0.023 0.000 1.268 227 F CB 1.267 40.247 39.000 -0.033 0.000 1.161 227 F HN -0.048 nan 8.300 nan 0.000 0.583 228 T N 4.808 119.455 114.554 0.156 0.000 2.749 228 T HA 0.493 4.844 4.350 0.001 0.000 0.287 228 T C -0.391 174.377 174.700 0.113 0.000 0.970 228 T CA -0.348 61.812 62.100 0.099 0.000 0.980 228 T CB 0.534 69.436 68.868 0.056 0.000 0.924 228 T HN 0.153 nan 8.240 nan 0.000 0.456 229 I N 3.498 124.114 120.570 0.076 0.000 2.321 229 I HA 0.349 4.520 4.170 0.001 0.000 0.291 229 I C 0.616 176.759 176.117 0.043 0.000 0.998 229 I CA -0.386 60.948 61.300 0.057 0.000 1.227 229 I CB 1.046 39.061 38.000 0.025 0.000 1.368 229 I HN 0.354 nan 8.210 nan 0.000 0.466 230 R N 4.166 124.696 120.500 0.049 0.000 2.410 230 R HA 0.457 4.797 4.340 0.001 0.000 0.288 230 R C -0.334 175.978 176.300 0.019 0.000 1.051 230 R CA -0.522 55.600 56.100 0.036 0.000 1.021 230 R CB 0.884 31.211 30.300 0.045 0.000 1.032 230 R HN 0.361 nan 8.270 nan 0.000 0.481 231 E N 3.514 123.720 120.200 0.011 0.000 2.325 231 E HA 0.110 4.460 4.350 0.001 0.000 0.248 231 E C -1.332 175.268 176.600 -0.000 0.000 0.912 231 E CA -0.346 56.052 56.400 -0.002 0.000 0.782 231 E CB 1.431 31.129 29.700 -0.004 0.000 1.264 231 E HN 0.481 nan 8.360 nan 0.000 0.417 232 M N 3.764 123.362 119.600 -0.004 0.000 2.188 232 M HA 0.368 4.848 4.480 0.001 0.000 0.357 232 M C -0.510 175.790 176.300 -0.001 0.000 1.204 232 M CA -0.313 54.991 55.300 0.007 0.000 1.095 232 M CB 0.872 33.487 32.600 0.025 0.000 1.604 232 M HN 0.253 nan 8.290 nan 0.000 0.464 233 R N 2.649 123.155 120.500 0.009 0.000 2.562 233 R HA 0.732 5.072 4.340 0.001 0.000 0.298 233 R C -0.520 175.795 176.300 0.024 0.000 0.961 233 R CA -0.372 55.734 56.100 0.010 0.000 0.881 233 R CB 2.048 32.352 30.300 0.007 0.000 1.159 233 R HN 0.953 nan 8.270 nan 0.000 0.450 234 G N 1.780 110.600 108.800 0.032 0.000 3.262 234 G HA2 0.285 4.245 3.960 0.001 0.000 0.229 234 G HA3 0.285 4.245 3.960 0.001 0.000 0.229 234 G C -1.015 173.907 174.900 0.037 0.000 1.280 234 G CA -0.467 44.658 45.100 0.041 0.000 0.951 234 G HN 0.297 nan 8.290 nan 0.000 0.589 235 K N -0.188 120.236 120.400 0.040 0.000 2.258 235 K HA 0.275 4.595 4.320 0.001 0.000 0.264 235 K C -0.016 176.609 176.600 0.042 0.000 1.007 235 K CA -0.357 55.951 56.287 0.035 0.000 0.941 235 K CB 1.240 33.759 32.500 0.031 0.000 0.966 235 K HN 0.164 nan 8.250 nan 0.000 0.480 236 L N 1.300 122.542 121.223 0.032 0.000 2.456 236 L HA 0.098 4.439 4.340 0.001 0.000 0.272 236 L C 0.253 177.147 176.870 0.040 0.000 1.189 236 L CA 0.638 55.498 54.840 0.033 0.000 0.846 236 L CB 0.592 42.661 42.059 0.017 0.000 1.111 236 L HN 0.665 nan 8.230 nan 0.000 0.475 237 A N 5.082 127.936 122.820 0.057 0.000 2.385 237 A HA 0.672 4.992 4.320 0.001 0.000 0.290 237 A C -0.909 176.661 177.584 -0.022 0.000 1.094 237 A CA -0.568 51.494 52.037 0.041 0.000 0.729 237 A CB 0.601 19.682 19.000 0.135 0.000 1.194 237 A HN 0.423 nan 8.150 nan 0.000 0.442 238 I N 2.122 122.635 120.570 -0.095 0.000 2.353 238 I HA 0.527 4.697 4.170 0.001 0.000 0.293 238 I C 0.753 176.693 176.117 -0.295 0.000 0.992 238 I CA -0.282 60.936 61.300 -0.137 0.000 1.268 238 I CB 0.921 38.862 38.000 -0.098 0.000 1.387 238 I HN 0.654 nan 8.210 nan 0.000 0.478 239 G N 7.059 115.624 108.800 -0.393 0.000 2.487 239 G HA2 0.634 4.594 3.960 0.001 0.000 0.314 239 G HA3 0.634 4.594 3.960 0.001 0.000 0.314 239 G C -0.494 174.379 174.900 -0.046 0.000 1.267 239 G CA -0.375 44.420 45.100 -0.508 0.000 0.937 239 G HN 0.385 nan 8.290 nan 0.000 0.481 240 I N 2.173 122.760 120.570 0.029 0.000 2.392 240 I HA 0.457 4.627 4.170 0.001 0.000 0.295 240 I C 0.546 176.791 176.117 0.213 0.000 0.985 240 I CA -0.614 60.772 61.300 0.144 0.000 1.221 240 I CB 1.262 39.367 38.000 0.175 0.000 1.366 240 I HN 0.526 nan 8.210 nan 0.000 0.467 241 T N 1.939 116.652 114.554 0.265 0.000 2.863 241 T HA 0.898 5.249 4.350 0.001 0.000 0.285 241 T C -0.588 174.211 174.700 0.165 0.000 1.009 241 T CA -0.824 61.411 62.100 0.225 0.000 0.989 241 T CB 2.381 71.479 68.868 0.382 0.000 1.004 241 T HN 0.847 nan 8.240 nan 0.000 0.455 242 A N 2.651 125.512 122.820 0.069 0.000 2.488 242 A HA 0.724 5.045 4.320 0.001 0.000 0.298 242 A C -0.926 176.620 177.584 -0.065 0.000 1.044 242 A CA -1.006 51.002 52.037 -0.048 0.000 0.693 242 A CB 1.282 20.233 19.000 -0.082 0.000 1.272 242 A HN 0.853 nan 8.150 nan 0.000 0.402 243 N N 1.321 119.868 118.700 -0.255 0.000 2.354 243 N HA 0.632 5.372 4.740 0.001 0.000 0.287 243 N C -1.748 173.488 175.510 -0.457 0.000 1.016 243 N CA 0.020 53.003 53.050 -0.112 0.000 0.871 243 N CB 1.606 40.125 38.487 0.054 0.000 1.299 243 N HN 0.499 nan 8.380 nan 0.000 0.482 244 F N 0.481 120.477 119.950 0.077 0.000 2.522 244 F HA 0.357 4.884 4.527 0.001 0.000 0.324 244 F C 0.595 176.489 175.800 0.158 0.000 1.077 244 F CA -1.037 57.006 58.000 0.071 0.000 0.944 244 F CB 1.189 40.257 39.000 0.113 0.000 1.175 244 F HN 0.029 nan 8.300 nan 0.000 0.468 245 V N 1.959 122.057 119.914 0.306 0.000 2.529 245 V HA -0.030 4.091 4.120 0.001 0.000 0.292 245 V C 0.084 176.319 176.094 0.235 0.000 1.028 245 V CA -0.296 62.116 62.300 0.186 0.000 1.074 245 V CB 0.191 32.101 31.823 0.144 0.000 0.958 245 V HN 0.627 nan 8.190 nan 0.000 0.481 246 N N 4.288 123.004 118.700 0.027 0.000 2.521 246 N HA 0.245 4.986 4.740 0.001 0.000 0.236 246 N C 1.127 176.662 175.510 0.041 0.000 1.067 246 N CA 0.356 53.344 53.050 -0.104 0.000 0.939 246 N CB 1.279 39.545 38.487 -0.369 0.000 1.201 246 N HN 0.729 nan 8.380 nan 0.000 0.511 247 G N 2.043 110.920 108.800 0.129 0.000 2.534 247 G HA2 -0.151 3.810 3.960 0.001 0.000 0.217 247 G HA3 -0.151 3.810 3.960 0.001 0.000 0.217 247 G C 0.452 175.399 174.900 0.078 0.000 1.128 247 G CA -0.095 45.064 45.100 0.098 0.000 0.784 247 G HN 0.816 nan 8.290 nan 0.000 0.542 248 R N -0.410 120.144 120.500 0.091 0.000 3.641 248 R HA -0.145 4.196 4.340 0.001 0.000 0.286 248 R C -0.191 176.149 176.300 0.067 0.000 1.153 248 R CA 0.626 56.769 56.100 0.072 0.000 0.775 248 R CB -2.949 27.374 30.300 0.037 0.000 1.215 248 R HN 0.364 nan 8.270 nan 0.000 0.474 249 T N -0.054 114.547 114.554 0.079 0.000 2.900 249 T HA 0.140 4.490 4.350 0.001 0.000 0.307 249 T C 2.058 176.791 174.700 0.056 0.000 1.065 249 T CA -0.153 61.983 62.100 0.060 0.000 1.105 249 T CB 1.482 70.385 68.868 0.058 0.000 0.979 249 T HN 0.008 nan 8.240 nan 0.000 0.544 250 V N 1.734 121.672 119.914 0.040 0.000 2.250 250 V HA -0.192 3.928 4.120 0.001 0.000 0.250 250 V C 2.533 178.648 176.094 0.036 0.000 1.060 250 V CA 2.005 64.325 62.300 0.033 0.000 1.030 250 V CB -0.657 31.180 31.823 0.023 0.000 0.643 250 V HN 0.814 nan 8.190 nan 0.000 0.445 251 E N -0.450 119.770 120.200 0.032 0.000 2.274 251 E HA -0.152 4.199 4.350 0.001 0.000 0.194 251 E C 2.156 178.777 176.600 0.035 0.000 0.996 251 E CA 0.888 57.304 56.400 0.026 0.000 0.840 251 E CB -0.117 29.593 29.700 0.016 0.000 0.772 251 E HN 0.705 nan 8.360 nan 0.000 0.491 252 E N -0.834 119.400 120.200 0.057 0.000 2.216 252 E HA -0.075 4.275 4.350 0.001 0.000 0.192 252 E C 0.704 177.388 176.600 0.141 0.000 0.988 252 E CA 1.384 57.837 56.400 0.088 0.000 0.834 252 E CB 0.162 29.940 29.700 0.131 0.000 0.772 252 E HN 0.258 nan 8.360 nan 0.000 0.479 253 T N -1.002 113.622 114.554 0.118 0.000 3.244 253 T HA 0.179 4.530 4.350 0.001 0.000 0.254 253 T C 0.693 175.448 174.700 0.091 0.000 1.024 253 T CA -0.360 61.815 62.100 0.125 0.000 0.920 253 T CB 0.472 69.394 68.868 0.091 0.000 1.042 253 T HN -0.057 nan 8.240 nan 0.000 0.572 254 Q N 1.176 121.019 119.800 0.072 0.000 2.186 254 Q HA 0.336 4.677 4.340 0.001 0.000 0.241 254 Q C -0.577 175.449 176.000 0.044 0.000 0.849 254 Q CA -0.061 55.771 55.803 0.049 0.000 1.053 254 Q CB 1.062 29.817 28.738 0.028 0.000 1.146 254 Q HN 0.412 nan 8.270 nan 0.000 0.475 255 V N 2.314 122.269 119.914 0.069 0.000 2.378 255 V HA 0.358 4.479 4.120 0.001 0.000 0.288 255 V C -2.201 173.963 176.094 0.118 0.000 1.016 255 V CA -1.912 60.415 62.300 0.046 0.000 0.840 255 V CB 1.583 33.389 31.823 -0.028 0.000 0.994 255 V HN 0.091 nan 8.190 nan 0.000 0.431 256 P HA 0.194 nan 4.420 nan 0.000 0.269 256 P C -0.086 177.338 177.300 0.207 0.000 1.215 256 P CA -0.163 63.002 63.100 0.109 0.000 0.780 256 P CB 0.706 32.431 31.700 0.041 0.000 0.898 257 E N 0.723 121.044 120.200 0.202 0.000 2.349 257 E HA 0.380 4.731 4.350 0.001 0.000 0.262 257 E C -0.442 176.222 176.600 0.107 0.000 1.088 257 E CA -0.411 56.118 56.400 0.215 0.000 0.899 257 E CB 0.498 30.232 29.700 0.057 0.000 1.044 257 E HN 0.271 nan 8.360 nan 0.000 0.420 258 I N 1.494 122.097 120.570 0.055 0.000 2.498 258 I HA 0.247 4.417 4.170 0.001 0.000 0.290 258 I C -0.335 175.715 176.117 -0.111 0.000 1.032 258 I CA 0.023 61.304 61.300 -0.033 0.000 1.073 258 I CB 1.783 39.761 38.000 -0.037 0.000 1.251 258 I HN 0.544 nan 8.210 nan 0.000 0.426 266 N N 0.187 119.095 118.700 0.346 0.000 2.509 266 N HA 0.075 4.815 4.740 0.001 0.000 0.254 266 N C 0.223 175.878 175.510 0.242 0.000 1.064 266 N CA 0.035 53.231 53.050 0.243 0.000 0.865 266 N CB 0.918 39.520 38.487 0.192 0.000 1.659 266 N HN 0.726 nan 8.380 nan 0.000 0.495 267 Q N 1.068 121.052 119.800 0.307 0.000 2.306 267 Q HA 0.227 4.567 4.340 0.001 0.000 0.241 267 Q C -0.047 176.020 176.000 0.113 0.000 0.948 267 Q CA 0.004 55.882 55.803 0.125 0.000 0.886 267 Q CB 1.130 29.859 28.738 -0.016 0.000 1.227 267 Q HN 0.041 nan 8.270 nan 0.000 0.457 268 K N 0.657 121.103 120.400 0.077 0.000 2.574 268 K HA -0.106 4.215 4.320 0.001 0.000 0.193 268 K C 1.024 177.673 176.600 0.081 0.000 1.035 268 K CA 0.589 56.923 56.287 0.079 0.000 0.982 268 K CB 0.001 32.538 32.500 0.061 0.000 0.795 268 K HN 0.478 nan 8.250 nan 0.000 0.491 269 F N 0.016 119.887 119.950 -0.132 0.000 2.098 269 F HA -0.090 4.438 4.527 0.001 0.000 0.294 269 F C 1.287 177.051 175.800 -0.060 0.000 1.107 269 F CA 1.183 59.092 58.000 -0.152 0.000 1.234 269 F CB -0.055 38.732 39.000 -0.355 0.000 1.002 269 F HN -0.083 nan 8.300 nan 0.000 0.472 270 F N 0.832 120.898 119.950 0.194 0.000 2.307 270 F HA -0.206 4.321 4.527 0.001 0.000 0.301 270 F C 2.253 178.034 175.800 -0.032 0.000 1.076 270 F CA 1.168 59.212 58.000 0.073 0.000 1.383 270 F CB -1.283 37.794 39.000 0.128 0.000 1.055 270 F HN 0.112 nan 8.300 nan 0.000 0.526 271 Q N -0.189 119.680 119.800 0.116 0.000 2.123 271 Q HA -0.059 4.281 4.340 0.001 0.000 0.196 271 Q C 2.334 178.303 176.000 -0.053 0.000 0.958 271 Q CA 1.491 57.318 55.803 0.040 0.000 0.841 271 Q CB -0.445 28.326 28.738 0.054 0.000 0.915 271 Q HN 0.374 nan 8.270 nan 0.000 0.455 272 S N -0.097 115.549 115.700 -0.089 0.000 2.607 272 S HA -0.024 4.447 4.470 0.001 0.000 0.224 272 S C 1.589 175.985 174.600 -0.340 0.000 0.969 272 S CA 0.226 58.352 58.200 -0.123 0.000 0.927 272 S CB -0.087 63.120 63.200 0.012 0.000 0.772 272 S HN 0.258 nan 8.310 nan 0.000 0.533 273 L N 0.942 121.943 121.223 -0.370 0.000 2.156 273 L HA 0.216 4.557 4.340 0.001 0.000 0.208 273 L C 1.919 178.513 176.870 -0.460 0.000 1.095 273 L CA 1.314 55.827 54.840 -0.545 0.000 0.770 273 L CB -0.527 41.375 42.059 -0.262 0.000 0.914 273 L HN 0.254 nan 8.230 nan 0.000 0.439 274 L N -0.172 120.890 121.223 -0.269 0.000 2.376 274 L HA -0.124 4.217 4.340 0.001 0.000 0.219 274 L C 2.381 179.122 176.870 -0.215 0.000 1.133 274 L CA 1.095 55.818 54.840 -0.196 0.000 0.816 274 L CB -1.392 40.603 42.059 -0.106 0.000 0.933 274 L HN 0.418 nan 8.230 nan 0.000 0.449 275 K N 0.697 120.934 120.400 -0.271 0.000 1.965 275 K HA -0.161 4.160 4.320 0.001 0.000 0.220 275 K C 1.925 178.388 176.600 -0.228 0.000 1.046 275 K CA 1.861 58.014 56.287 -0.222 0.000 0.974 275 K CB 0.089 32.458 32.500 -0.217 0.000 0.738 275 K HN 0.205 nan 8.250 nan 0.000 0.444 276 A N 0.207 122.834 122.820 -0.322 0.000 1.878 276 A HA -0.085 4.235 4.320 0.001 0.000 0.213 276 A C 2.190 179.634 177.584 -0.234 0.000 1.192 276 A CA 2.223 54.111 52.037 -0.249 0.000 0.619 276 A CB -0.853 17.998 19.000 -0.248 0.000 0.837 276 A HN 0.663 nan 8.150 nan 0.000 0.446 277 T N -4.195 110.165 114.554 -0.324 0.000 3.009 277 T HA 0.352 4.703 4.350 0.001 0.000 0.258 277 T C 1.499 176.084 174.700 -0.192 0.000 1.063 277 T CA 1.257 63.205 62.100 -0.252 0.000 1.139 277 T CB -0.401 68.281 68.868 -0.310 0.000 0.890 277 T HN 1.743 nan 8.240 nan 0.000 0.471 278 G N 1.780 110.460 108.800 -0.201 0.000 2.176 278 G HA2 -0.156 3.805 3.960 0.001 0.000 0.252 278 G HA3 -0.156 3.805 3.960 0.001 0.000 0.252 278 G C -0.112 174.726 174.900 -0.103 0.000 1.024 278 G CA -0.034 44.989 45.100 -0.128 0.000 0.755 278 G HN 0.573 nan 8.290 nan 0.000 0.507 279 I N 0.795 121.264 120.570 -0.168 0.000 2.342 279 I HA 0.342 4.513 4.170 0.001 0.000 0.291 279 I C -0.128 175.948 176.117 -0.069 0.000 1.010 279 I CA -1.130 60.074 61.300 -0.161 0.000 1.308 279 I CB 1.451 39.221 38.000 -0.383 0.000 1.400 279 I HN 0.102 nan 8.210 nan 0.000 0.488 280 D N 7.945 128.367 120.400 0.037 0.000 2.485 280 D HA 0.491 5.131 4.640 0.001 0.000 0.229 280 D C -0.867 175.481 176.300 0.079 0.000 1.101 280 D CA -0.137 53.892 54.000 0.048 0.000 0.906 280 D CB 0.242 41.071 40.800 0.049 0.000 1.019 280 D HN 0.328 nan 8.370 nan 0.000 0.516 281 L N 3.150 124.409 121.223 0.061 0.000 2.362 281 L HA 0.412 4.752 4.340 0.001 0.000 0.271 281 L C 1.655 178.488 176.870 -0.062 0.000 1.002 281 L CA -0.745 54.122 54.840 0.045 0.000 0.818 281 L CB 2.228 44.342 42.059 0.092 0.000 1.298 281 L HN 0.313 nan 8.230 nan 0.000 0.420 282 E N 1.733 121.846 120.200 -0.145 0.000 2.060 282 E HA -0.048 4.302 4.350 0.001 0.000 0.189 282 E C -0.353 175.797 176.600 -0.750 0.000 0.974 282 E CA 0.619 56.836 56.400 -0.305 0.000 0.808 282 E CB 0.009 29.610 29.700 -0.164 0.000 0.768 282 E HN 0.757 nan 8.360 nan 0.000 0.453 283 N N 0.271 118.671 118.700 -0.500 0.000 2.331 283 N HA 0.483 5.224 4.740 0.001 0.000 0.280 283 N C -1.561 173.938 175.510 -0.019 0.000 1.155 283 N CA -0.781 51.961 53.050 -0.514 0.000 0.822 283 N CB 2.164 40.495 38.487 -0.260 0.000 1.619 283 N HN 0.190 nan 8.380 nan 0.000 0.476 284 I N 0.716 121.443 120.570 0.262 0.000 2.647 284 I HA 0.706 4.876 4.170 0.001 0.000 0.295 284 I C -1.521 174.746 176.117 0.250 0.000 1.078 284 I CA -1.004 60.472 61.300 0.294 0.000 1.048 284 I CB 1.872 40.099 38.000 0.379 0.000 1.239 284 I HN 0.397 nan 8.210 nan 0.000 0.421 285 V N 6.656 126.672 119.914 0.171 0.000 2.735 285 V HA 0.434 4.554 4.120 0.001 0.000 0.310 285 V C -1.437 174.637 176.094 -0.034 0.000 1.061 285 V CA -0.618 61.693 62.300 0.019 0.000 0.913 285 V CB 1.939 33.739 31.823 -0.038 0.000 1.005 285 V HN 0.598 nan 8.190 nan 0.000 0.428 286 Y N 4.585 124.669 120.300 -0.361 0.000 2.376 286 Y HA 0.748 5.299 4.550 0.001 0.000 0.340 286 Y C -1.698 173.866 175.900 -0.560 0.000 0.965 286 Y CA -1.147 56.638 58.100 -0.525 0.000 1.078 286 Y CB 1.582 39.769 38.460 -0.455 0.000 1.193 286 Y HN 0.558 nan 8.280 nan 0.000 0.452 287 Y N 4.319 124.119 120.300 -0.833 0.000 2.425 287 Y HA 0.432 4.982 4.550 0.001 0.000 0.344 287 Y C -0.409 174.880 175.900 -1.018 0.000 0.969 287 Y CA -1.432 56.164 58.100 -0.840 0.000 1.052 287 Y CB 2.058 40.157 38.460 -0.602 0.000 1.215 287 Y HN 0.483 nan 8.280 nan 0.000 0.451 288 K N 3.578 123.658 120.400 -0.534 0.000 2.347 288 K HA 0.227 4.547 4.320 0.001 0.000 0.262 288 K C -1.056 175.540 176.600 -0.007 0.000 1.052 288 K CA -0.069 56.079 56.287 -0.232 0.000 0.946 288 K CB 0.513 32.996 32.500 -0.029 0.000 1.220 288 K HN 0.853 nan 8.250 nan 0.000 0.450 289 D N 1.395 121.768 120.400 -0.045 0.000 2.723 289 D HA 0.110 4.751 4.640 0.001 0.000 0.205 289 D C 0.672 176.967 176.300 -0.008 0.000 1.295 289 D CA -0.153 53.873 54.000 0.043 0.000 1.112 289 D CB 1.035 41.842 40.800 0.012 0.000 1.193 289 D HN 0.386 nan 8.370 nan 0.000 0.610 290 E N -0.088 120.125 120.200 0.022 0.000 2.204 290 E HA -0.016 4.334 4.350 0.001 0.000 0.194 290 E C 0.657 177.233 176.600 -0.040 0.000 0.989 290 E CA 0.889 57.299 56.400 0.017 0.000 0.824 290 E CB -0.057 29.680 29.700 0.061 0.000 0.756 290 E HN 0.447 nan 8.360 nan 0.000 0.477 291 T N -1.403 113.124 114.554 -0.045 0.000 2.906 291 T HA 0.317 4.667 4.350 0.001 0.000 0.295 291 T C -0.203 174.483 174.700 -0.024 0.000 1.075 291 T CA -0.871 61.203 62.100 -0.042 0.000 1.005 291 T CB 1.586 70.458 68.868 0.007 0.000 1.136 291 T HN -0.042 nan 8.240 nan 0.000 0.498 292 H N 1.706 120.911 119.070 0.225 0.000 3.232 292 H HA 0.127 4.684 4.556 0.001 0.000 0.254 292 H C -0.869 174.634 175.328 0.292 0.000 1.213 292 H CA 0.000 56.230 56.048 0.304 0.000 1.503 292 H CB -0.512 29.533 29.762 0.471 0.000 1.563 292 H HN 0.549 nan 8.280 nan 0.000 0.490 293 Y N 3.924 124.221 120.300 -0.004 0.000 2.336 293 Y HA 0.245 4.796 4.550 0.001 0.000 0.335 293 Y C -1.207 174.601 175.900 -0.155 0.000 1.046 293 Y CA -0.724 57.377 58.100 0.000 0.000 1.198 293 Y CB 0.260 38.702 38.460 -0.029 0.000 1.182 293 Y HN 0.265 nan 8.280 nan 0.000 0.502 294 F N 5.269 125.016 119.950 -0.337 0.000 2.556 294 F HA 0.577 5.105 4.527 0.001 0.000 0.314 294 F C -0.883 174.632 175.800 -0.475 0.000 1.106 294 F CA -1.068 56.790 58.000 -0.236 0.000 0.911 294 F CB 1.941 40.985 39.000 0.073 0.000 1.190 294 F HN 0.292 nan 8.300 nan 0.000 0.448 295 V N 6.520 126.378 119.914 -0.094 0.000 2.577 295 V HA 0.750 4.870 4.120 0.001 0.000 0.303 295 V C -1.028 175.160 176.094 0.157 0.000 1.042 295 V CA -0.533 61.793 62.300 0.043 0.000 0.872 295 V CB 1.689 33.601 31.823 0.148 0.000 0.998 295 V HN 0.757 nan 8.190 nan 0.000 0.423 296 M N 4.478 124.169 119.600 0.151 0.000 2.518 296 M HA 0.671 5.151 4.480 0.001 0.000 0.300 296 M C -1.107 175.212 176.300 0.032 0.000 1.175 296 M CA -0.423 54.955 55.300 0.131 0.000 0.890 296 M CB 2.271 34.977 32.600 0.177 0.000 1.710 296 M HN 0.427 nan 8.290 nan 0.000 0.453 297 T N 2.146 116.695 114.554 -0.008 0.000 2.743 297 T HA 0.719 5.070 4.350 0.001 0.000 0.292 297 T C -0.060 174.625 174.700 -0.024 0.000 0.972 297 T CA -0.532 61.507 62.100 -0.102 0.000 0.967 297 T CB 1.065 69.879 68.868 -0.089 0.000 0.926 297 T HN 0.761 nan 8.240 nan 0.000 0.459 298 A N 3.534 126.340 122.820 -0.024 0.000 2.294 298 A HA 0.696 5.016 4.320 0.001 0.000 0.330 298 A C 0.007 177.590 177.584 -0.001 0.000 1.133 298 A CA -0.946 51.117 52.037 0.043 0.000 0.836 298 A CB 0.767 19.789 19.000 0.036 0.000 1.190 298 A HN 0.615 nan 8.150 nan 0.000 0.492 299 K N 1.649 122.065 120.400 0.027 0.000 2.248 299 K HA 0.132 4.453 4.320 0.001 0.000 0.281 299 K C 0.619 177.214 176.600 -0.010 0.000 1.054 299 K CA -0.629 55.663 56.287 0.008 0.000 0.903 299 K CB 1.751 34.263 32.500 0.021 0.000 1.077 299 K HN 0.765 nan 8.250 nan 0.000 0.474 300 K N 2.788 123.174 120.400 -0.023 0.000 2.152 300 K HA -0.252 4.068 4.320 0.001 0.000 0.206 300 K C 1.530 178.117 176.600 -0.022 0.000 1.048 300 K CA 1.603 57.870 56.287 -0.033 0.000 0.933 300 K CB 0.317 32.801 32.500 -0.026 0.000 0.721 300 K HN 0.519 nan 8.250 nan 0.000 0.447 301 Q N 0.791 120.587 119.800 -0.008 0.000 2.112 301 Q HA -0.186 4.155 4.340 0.001 0.000 0.206 301 Q C 2.269 178.271 176.000 0.003 0.000 0.987 301 Q CA 2.478 58.280 55.803 -0.001 0.000 0.858 301 Q CB -0.449 28.291 28.738 0.004 0.000 0.905 301 Q HN 0.569 nan 8.270 nan 0.000 0.420 302 C N -2.155 117.154 119.300 0.015 0.000 2.735 302 C HA 0.368 4.829 4.460 0.001 0.000 0.271 302 C C 2.189 177.196 174.990 0.028 0.000 1.281 302 C CA -0.500 58.540 59.018 0.037 0.000 1.719 302 C CB -0.848 26.938 27.740 0.077 0.000 2.024 302 C HN 0.514 nan 8.230 nan 0.000 0.566 303 L N 0.742 121.947 121.223 -0.031 0.000 2.217 303 L HA 0.055 4.395 4.340 0.001 0.000 0.211 303 L C 2.618 179.441 176.870 -0.078 0.000 1.107 303 L CA 1.151 55.921 54.840 -0.116 0.000 0.783 303 L CB -0.270 41.671 42.059 -0.196 0.000 0.919 303 L HN 0.362 nan 8.230 nan 0.000 0.442 304 L N -0.887 120.308 121.223 -0.045 0.000 2.240 304 L HA -0.121 4.219 4.340 0.001 0.000 0.211 304 L C 2.713 179.573 176.870 -0.016 0.000 1.106 304 L CA 0.745 55.566 54.840 -0.032 0.000 0.793 304 L CB -0.401 41.643 42.059 -0.024 0.000 0.927 304 L HN 0.215 nan 8.230 nan 0.000 0.446 305 R N 0.863 121.361 120.500 -0.005 0.000 2.057 305 R HA -0.057 4.283 4.340 0.001 0.000 0.229 305 R C 1.757 178.066 176.300 0.015 0.000 1.136 305 R CA 1.164 57.268 56.100 0.006 0.000 0.952 305 R CB -0.033 30.276 30.300 0.014 0.000 0.848 305 R HN 0.285 nan 8.270 nan 0.000 0.430 306 L N 0.659 121.901 121.223 0.032 0.000 2.653 306 L HA 0.266 4.606 4.340 0.001 0.000 0.232 306 L C 0.604 177.493 176.870 0.031 0.000 1.169 306 L CA 0.229 55.100 54.840 0.052 0.000 0.951 306 L CB 0.569 42.700 42.059 0.121 0.000 1.181 306 L HN 0.503 nan 8.230 nan 0.000 0.460 307 G N 0.164 108.964 108.800 0.000 0.000 2.356 307 G HA2 -0.245 3.716 3.960 0.001 0.000 0.296 307 G HA3 -0.245 3.716 3.960 0.001 0.000 0.296 307 G C 0.665 175.547 174.900 -0.030 0.000 1.022 307 G CA 0.495 45.586 45.100 -0.015 0.000 0.961 307 G HN 0.218 nan 8.290 nan 0.000 0.510 308 V N -0.545 119.328 119.914 -0.067 0.000 2.599 308 V HA 0.186 4.306 4.120 0.001 0.000 0.245 308 V C 1.638 177.671 176.094 -0.101 0.000 1.046 308 V CA 1.534 63.770 62.300 -0.107 0.000 1.065 308 V CB -0.110 31.566 31.823 -0.244 0.000 0.703 308 V HN 0.461 nan 8.190 nan 0.000 0.464 309 L N 0.002 121.166 121.223 -0.099 0.000 2.295 309 L HA 0.453 4.794 4.340 0.001 0.000 0.285 309 L C 1.371 178.212 176.870 -0.050 0.000 1.035 309 L CA -0.414 54.381 54.840 -0.074 0.000 0.806 309 L CB 1.344 43.356 42.059 -0.078 0.000 1.214 309 L HN 0.037 nan 8.230 nan 0.000 0.426 310 R N 1.534 122.010 120.500 -0.039 0.000 2.062 310 R HA -0.048 4.293 4.340 0.001 0.000 0.231 310 R C 0.063 176.348 176.300 -0.024 0.000 1.136 310 R CA 1.138 57.221 56.100 -0.028 0.000 0.948 310 R CB 0.037 30.322 30.300 -0.024 0.000 0.845 310 R HN 0.721 nan 8.270 nan 0.000 0.430 311 Q N 0.630 120.416 119.800 -0.024 0.000 2.379 311 Q HA 0.241 4.581 4.340 0.001 0.000 0.278 311 Q C -1.766 174.222 176.000 -0.020 0.000 1.068 311 Q CA -0.876 54.916 55.803 -0.019 0.000 0.816 311 Q CB 1.905 30.634 28.738 -0.015 0.000 1.387 311 Q HN -0.195 nan 8.270 nan 0.000 0.413 312 D N 2.511 122.901 120.400 -0.017 0.000 2.348 312 D HA 0.235 4.875 4.640 0.001 0.000 0.259 312 D C -1.063 175.230 176.300 -0.012 0.000 1.296 312 D CA 0.069 54.059 54.000 -0.015 0.000 0.931 312 D CB 0.206 40.998 40.800 -0.013 0.000 1.067 312 D HN 0.467 nan 8.370 nan 0.000 0.503 313 L N 3.084 124.300 121.223 -0.012 0.000 2.295 313 L HA 0.211 4.551 4.340 0.001 0.000 0.285 313 L C 1.740 178.606 176.870 -0.006 0.000 1.035 313 L CA -0.559 54.276 54.840 -0.008 0.000 0.806 313 L CB 1.687 43.741 42.059 -0.008 0.000 1.214 313 L HN 0.431 nan 8.230 nan 0.000 0.426 314 S N 0.619 116.316 115.700 -0.004 0.000 2.447 314 S HA -0.024 4.446 4.470 0.001 0.000 0.233 314 S C 0.546 175.146 174.600 0.000 0.000 1.006 314 S CA 0.496 58.695 58.200 -0.002 0.000 0.957 314 S CB -0.136 63.064 63.200 -0.001 0.000 0.773 314 S HN 0.564 nan 8.310 nan 0.000 0.507 315 E N 2.072 122.272 120.200 0.000 0.000 2.081 315 E HA 0.296 4.646 4.350 0.001 0.000 0.276 315 E C 0.659 177.261 176.600 0.003 0.000 0.950 315 E CA -0.176 56.226 56.400 0.003 0.000 0.776 315 E CB 1.156 30.858 29.700 0.003 0.000 1.094 315 E HN 0.202 nan 8.360 nan 0.000 0.402 316 T N 2.788 117.345 114.554 0.006 0.000 2.602 316 T HA -0.306 4.045 4.350 0.001 0.000 0.264 316 T C 1.318 176.024 174.700 0.010 0.000 1.085 316 T CA 2.326 64.431 62.100 0.008 0.000 1.164 316 T CB -0.283 68.593 68.868 0.014 0.000 0.860 316 T HN 0.621 nan 8.240 nan 0.000 0.442 317 D N 1.665 122.073 120.400 0.013 0.000 2.133 317 D HA -0.248 4.392 4.640 0.001 0.000 0.192 317 D C 2.001 178.308 176.300 0.011 0.000 1.001 317 D CA 1.673 55.683 54.000 0.017 0.000 0.844 317 D CB -0.650 40.160 40.800 0.016 0.000 0.944 317 D HN 0.524 nan 8.370 nan 0.000 0.447 318 Q N -0.270 119.534 119.800 0.005 0.000 2.230 318 Q HA 0.030 4.370 4.340 0.001 0.000 0.202 318 Q C 2.270 178.267 176.000 -0.006 0.000 0.963 318 Q CA 0.198 56.001 55.803 0.001 0.000 0.866 318 Q CB -0.051 28.687 28.738 0.000 0.000 0.931 318 Q HN 0.192 nan 8.270 nan 0.000 0.452 319 L N 0.101 121.320 121.223 -0.007 0.000 2.456 319 L HA -0.042 4.299 4.340 0.001 0.000 0.224 319 L C 0.976 177.832 176.870 -0.024 0.000 1.148 319 L CA 1.430 56.260 54.840 -0.016 0.000 0.825 319 L CB 0.236 42.286 42.059 -0.015 0.000 0.937 319 L HN 0.160 nan 8.230 nan 0.000 0.450 320 L N -0.983 120.229 121.223 -0.018 0.000 3.069 320 L HA 0.400 4.741 4.340 0.001 0.000 0.271 320 L C 1.079 177.931 176.870 -0.031 0.000 1.201 320 L CA -0.271 54.552 54.840 -0.028 0.000 1.015 320 L CB -0.157 41.893 42.059 -0.014 0.000 1.371 320 L HN 0.163 nan 8.230 nan 0.000 0.574 321 G N 0.045 108.832 108.800 -0.022 0.000 2.569 321 G HA2 0.020 3.981 3.960 0.001 0.000 0.249 321 G HA3 0.020 3.981 3.960 0.001 0.000 0.249 321 G C 0.881 175.764 174.900 -0.028 0.000 1.216 321 G CA -0.285 44.804 45.100 -0.019 0.000 0.845 321 G HN 0.022 nan 8.290 nan 0.000 0.568 322 K N 0.910 121.296 120.400 -0.025 0.000 2.218 322 K HA -0.167 4.153 4.320 0.001 0.000 0.205 322 K C 2.339 178.924 176.600 -0.025 0.000 1.046 322 K CA 1.684 57.955 56.287 -0.028 0.000 0.933 322 K CB -0.363 32.126 32.500 -0.019 0.000 0.728 322 K HN 0.458 nan 8.250 nan 0.000 0.454 323 A N 1.020 123.828 122.820 -0.020 0.000 1.874 323 A HA -0.129 4.192 4.320 0.001 0.000 0.214 323 A C 1.928 179.498 177.584 -0.023 0.000 1.189 323 A CA 1.553 53.579 52.037 -0.018 0.000 0.615 323 A CB -0.544 18.448 19.000 -0.013 0.000 0.830 323 A HN 0.455 nan 8.150 nan 0.000 0.443 324 N N -0.412 118.273 118.700 -0.026 0.000 2.457 324 N HA -0.027 4.713 4.740 0.001 0.000 0.180 324 N C -0.140 175.345 175.510 -0.041 0.000 1.050 324 N CA 0.483 53.515 53.050 -0.030 0.000 0.906 324 N CB -0.064 38.406 38.487 -0.028 0.000 0.968 324 N HN 0.135 nan 8.380 nan 0.000 0.445 325 V N 1.729 121.616 119.914 -0.046 0.000 2.385 325 V HA 0.213 4.334 4.120 0.001 0.000 0.269 325 V C -0.038 176.026 176.094 -0.050 0.000 1.043 325 V CA -0.811 61.454 62.300 -0.058 0.000 0.906 325 V CB 1.305 33.087 31.823 -0.069 0.000 0.995 325 V HN -0.147 nan 8.190 nan 0.000 0.467 326 V N 9.140 129.024 119.914 -0.050 0.000 2.439 326 V HA 0.127 4.247 4.120 0.001 0.000 0.271 326 V C -1.177 174.892 176.094 -0.041 0.000 1.040 326 V CA -0.758 61.518 62.300 -0.040 0.000 1.002 326 V CB 1.203 33.006 31.823 -0.033 0.000 1.000 326 V HN 0.787 nan 8.190 nan 0.000 0.477 327 P HA -0.061 nan 4.420 nan 0.000 0.219 327 P C 1.298 178.567 177.300 -0.051 0.000 1.150 327 P CA 0.769 63.841 63.100 -0.047 0.000 0.814 327 P CB 0.350 32.020 31.700 -0.049 0.000 0.787 328 E N 0.298 120.473 120.200 -0.042 0.000 2.028 328 E HA -0.084 4.267 4.350 0.001 0.000 0.190 328 E C 2.116 178.710 176.600 -0.011 0.000 0.984 328 E CA 1.487 57.862 56.400 -0.041 0.000 0.800 328 E CB -1.349 28.333 29.700 -0.030 0.000 0.758 328 E HN 0.173 nan 8.360 nan 0.000 0.448 329 A N 1.475 124.299 122.820 0.006 0.000 2.015 329 A HA -0.094 4.226 4.320 0.001 0.000 0.219 329 A C 2.224 179.863 177.584 0.091 0.000 1.163 329 A CA 0.926 52.989 52.037 0.044 0.000 0.646 329 A CB -0.525 18.490 19.000 0.025 0.000 0.806 329 A HN 0.203 nan 8.150 nan 0.000 0.448 330 L N -0.299 120.952 121.223 0.047 0.000 2.131 330 L HA -0.167 4.173 4.340 0.001 0.000 0.210 330 L C 2.329 179.318 176.870 0.198 0.000 1.092 330 L CA 2.037 56.926 54.840 0.082 0.000 0.759 330 L CB -0.460 41.606 42.059 0.013 0.000 0.903 330 L HN 0.496 nan 8.230 nan 0.000 0.435 331 Q N -1.062 118.805 119.800 0.113 0.000 2.137 331 Q HA -0.070 4.271 4.340 0.001 0.000 0.198 331 Q C 2.143 178.297 176.000 0.257 0.000 0.960 331 Q CA 1.131 57.013 55.803 0.131 0.000 0.847 331 Q CB -0.038 28.555 28.738 -0.242 0.000 0.915 331 Q HN 0.470 nan 8.270 nan 0.000 0.448 332 R N -0.632 119.967 120.500 0.166 0.000 2.275 332 R HA -0.008 4.333 4.340 0.001 0.000 0.199 332 R C 1.648 178.047 176.300 0.165 0.000 0.989 332 R CA 0.442 56.629 56.100 0.146 0.000 1.016 332 R CB 0.055 30.407 30.300 0.086 0.000 0.918 332 R HN 0.201 nan 8.270 nan 0.000 0.473 333 F N 0.971 120.964 119.950 0.072 0.000 2.179 333 F HA 0.047 4.574 4.527 0.001 0.000 0.292 333 F C 2.250 178.097 175.800 0.078 0.000 1.089 333 F CA 1.160 59.192 58.000 0.054 0.000 1.295 333 F CB -0.119 38.905 39.000 0.041 0.000 1.041 333 F HN -0.073 nan 8.300 nan 0.000 0.487 334 A N 0.575 123.627 122.820 0.387 0.000 1.898 334 A HA -0.173 4.147 4.320 0.001 0.000 0.216 334 A C 2.289 179.975 177.584 0.170 0.000 1.181 334 A CA 1.691 53.914 52.037 0.310 0.000 0.620 334 A CB -0.809 18.446 19.000 0.424 0.000 0.819 334 A HN 0.462 nan 8.150 nan 0.000 0.442 335 R N -0.513 120.149 120.500 0.269 0.000 2.115 335 R HA 0.023 4.363 4.340 0.001 0.000 0.226 335 R C 2.214 178.447 176.300 -0.111 0.000 1.100 335 R CA 1.171 57.323 56.100 0.087 0.000 0.980 335 R CB -0.341 30.118 30.300 0.266 0.000 0.875 335 R HN 0.432 nan 8.270 nan 0.000 0.445 336 A N 0.784 123.549 122.820 -0.092 0.000 1.877 336 A HA -0.122 4.199 4.320 0.001 0.000 0.216 336 A C 2.336 179.794 177.584 -0.210 0.000 1.186 336 A CA 1.722 53.663 52.037 -0.160 0.000 0.620 336 A CB -0.829 18.053 19.000 -0.197 0.000 0.822 336 A HN 0.505 nan 8.150 nan 0.000 0.443 337 A N -0.354 122.293 122.820 -0.288 0.000 1.898 337 A HA 0.223 4.543 4.320 0.001 0.000 0.216 337 A C 2.489 179.904 177.584 -0.281 0.000 1.181 337 A CA 1.980 53.872 52.037 -0.243 0.000 0.620 337 A CB -0.954 17.891 19.000 -0.258 0.000 0.819 337 A HN 1.043 nan 8.150 nan 0.000 0.442 338 A N -0.430 122.077 122.820 -0.522 0.000 1.930 338 A HA -0.124 4.197 4.320 0.001 0.000 0.217 338 A C 1.811 178.992 177.584 -0.672 0.000 1.175 338 A CA 2.000 53.413 52.037 -1.039 0.000 0.627 338 A CB -0.575 17.494 19.000 -1.551 0.000 0.815 338 A HN 0.521 nan 8.150 nan 0.000 0.443 339 D N -1.516 118.629 120.400 -0.426 0.000 2.103 339 D HA -0.112 4.529 4.640 0.001 0.000 0.199 339 D C 1.601 177.803 176.300 -0.163 0.000 0.978 339 D CA 1.335 55.168 54.000 -0.278 0.000 0.829 339 D CB -0.197 40.497 40.800 -0.177 0.000 0.981 339 D HN 0.354 nan 8.370 nan 0.000 0.464 340 F N 0.808 120.621 119.950 -0.227 0.000 2.234 340 F HA 0.065 4.593 4.527 0.001 0.000 0.299 340 F C 2.012 177.712 175.800 -0.165 0.000 1.087 340 F CA 1.250 59.151 58.000 -0.165 0.000 1.340 340 F CB -0.369 38.529 39.000 -0.169 0.000 1.031 340 F HN -0.009 nan 8.300 nan 0.000 0.500 341 A N -0.444 122.278 122.820 -0.162 0.000 1.978 341 A HA -0.193 4.128 4.320 0.001 0.000 0.220 341 A C 2.032 179.309 177.584 -0.511 0.000 1.170 341 A CA 2.160 54.132 52.037 -0.108 0.000 0.636 341 A CB -1.462 17.548 19.000 0.017 0.000 0.810 341 A HN 0.489 nan 8.150 nan 0.000 0.448 342 T N -5.354 108.902 114.554 -0.497 0.000 3.105 342 T HA 0.194 4.544 4.350 0.001 0.000 0.253 342 T C 0.440 174.899 174.700 -0.403 0.000 1.047 342 T CA 0.476 62.291 62.100 -0.476 0.000 0.944 342 T CB -0.393 68.258 68.868 -0.362 0.000 1.016 342 T HN 0.633 nan 8.240 nan 0.000 0.544 343 H N 0.779 119.690 119.070 -0.264 0.000 2.899 343 H HA -0.180 4.376 4.556 0.001 0.000 0.282 343 H C 1.515 176.759 175.328 -0.141 0.000 1.198 343 H CA 0.751 56.657 56.048 -0.236 0.000 1.140 343 H CB -2.114 27.523 29.762 -0.208 0.000 1.317 343 H HN 0.917 nan 8.280 nan 0.000 0.375 344 G N 0.172 108.916 108.800 -0.093 0.000 2.160 344 G HA2 -0.380 3.580 3.960 0.001 0.000 0.251 344 G HA3 -0.380 3.580 3.960 0.001 0.000 0.251 344 G C 1.145 175.999 174.900 -0.077 0.000 1.008 344 G CA 0.647 45.697 45.100 -0.082 0.000 0.724 344 G HN 0.440 nan 8.290 nan 0.000 0.514 345 K N -0.564 119.784 120.400 -0.087 0.000 2.486 345 K HA 0.266 4.586 4.320 0.001 0.000 0.194 345 K C 1.980 178.523 176.600 -0.095 0.000 1.033 345 K CA 0.377 56.622 56.287 -0.070 0.000 1.004 345 K CB 0.177 32.645 32.500 -0.053 0.000 0.798 345 K HN 0.550 nan 8.250 nan 0.000 0.495 346 L N -0.276 120.858 121.223 -0.147 0.000 2.766 346 L HA 0.145 4.485 4.340 0.001 0.000 0.242 346 L C 0.821 177.611 176.870 -0.133 0.000 1.136 346 L CA -0.125 54.609 54.840 -0.176 0.000 0.933 346 L CB 0.188 42.054 42.059 -0.321 0.000 1.241 346 L HN 0.223 nan 8.230 nan 0.000 0.522 347 G N 1.087 109.826 108.800 -0.101 0.000 2.697 347 G HA2 -0.316 3.644 3.960 0.001 0.000 0.240 347 G HA3 -0.316 3.644 3.960 0.001 0.000 0.240 347 G C -0.278 174.577 174.900 -0.075 0.000 1.346 347 G CA -0.527 44.534 45.100 -0.065 0.000 0.887 347 G HN 0.208 nan 8.290 nan 0.000 0.569 348 K N 0.470 120.853 120.400 -0.029 0.000 2.166 348 K HA 0.391 4.712 4.320 0.001 0.000 0.273 348 K C 0.573 177.187 176.600 0.023 0.000 1.095 348 K CA 0.054 56.338 56.287 -0.005 0.000 0.985 348 K CB -0.030 32.486 32.500 0.026 0.000 1.172 348 K HN 0.408 nan 8.250 nan 0.000 0.401 349 L N 3.765 124.968 121.223 -0.033 0.000 2.418 349 L HA 0.061 4.401 4.340 0.001 0.000 0.274 349 L C 0.540 177.605 176.870 0.324 0.000 1.135 349 L CA -0.103 54.750 54.840 0.021 0.000 0.870 349 L CB 0.369 42.155 42.059 -0.455 0.000 1.154 349 L HN 0.450 nan 8.230 nan 0.000 0.462 350 E N 3.534 123.954 120.200 0.367 0.000 2.231 350 E HA 0.318 4.669 4.350 0.001 0.000 0.277 350 E C -0.519 176.376 176.600 0.492 0.000 0.999 350 E CA -0.483 56.175 56.400 0.430 0.000 0.827 350 E CB 1.249 31.103 29.700 0.258 0.000 1.101 350 E HN 0.225 nan 8.360 nan 0.000 0.393 351 F N 0.954 120.995 119.950 0.153 0.000 2.459 351 F HA 0.226 4.754 4.527 0.001 0.000 0.346 351 F C 1.272 177.060 175.800 -0.020 0.000 1.128 351 F CA -0.439 57.526 58.000 -0.059 0.000 1.268 351 F CB 0.684 39.612 39.000 -0.119 0.000 1.161 351 F HN 0.404 nan 8.300 nan 0.000 0.583 352 A N 3.014 125.866 122.820 0.053 0.000 2.272 352 A HA 0.458 4.779 4.320 0.001 0.000 0.275 352 A C -0.406 177.205 177.584 0.045 0.000 1.096 352 A CA -0.542 51.485 52.037 -0.016 0.000 0.822 352 A CB 0.559 19.421 19.000 -0.230 0.000 1.088 352 A HN 0.812 nan 8.150 nan 0.000 0.495 353 Q N -0.477 119.353 119.800 0.050 0.000 2.194 353 Q HA 0.330 4.671 4.340 0.001 0.000 0.245 353 Q C -0.472 175.665 176.000 0.228 0.000 0.993 353 Q CA -0.826 55.050 55.803 0.123 0.000 0.930 353 Q CB 0.743 29.539 28.738 0.098 0.000 1.238 353 Q HN 0.759 nan 8.270 nan 0.000 0.486 354 D N -0.155 120.352 120.400 0.178 0.000 1.802 354 D HA 0.099 4.740 4.640 0.001 0.000 0.271 354 D C 0.713 177.104 176.300 0.151 0.000 1.069 354 D CA 1.197 55.295 54.000 0.164 0.000 0.950 354 D CB -0.171 40.688 40.800 0.098 0.000 1.260 354 D HN 0.675 nan 8.370 nan 0.000 0.448 355 A N -1.900 120.963 122.820 0.073 0.000 3.617 355 A HA -0.247 4.073 4.320 0.001 0.000 0.233 355 A C 1.590 179.197 177.584 0.038 0.000 0.775 355 A CA 1.738 53.801 52.037 0.042 0.000 1.591 355 A CB -1.303 17.724 19.000 0.045 0.000 1.021 355 A HN 0.346 nan 8.150 nan 0.000 0.691 356 R N -2.735 117.793 120.500 0.046 0.000 2.425 356 R HA 0.412 4.752 4.340 0.001 0.000 0.299 356 R C 1.306 177.625 176.300 0.032 0.000 0.830 356 R CA 1.380 57.500 56.100 0.033 0.000 1.052 356 R CB 0.540 30.858 30.300 0.030 0.000 1.747 356 R HN 1.984 nan 8.270 nan 0.000 0.472 357 G N 1.104 109.930 108.800 0.045 0.000 2.212 357 G HA2 -0.389 3.572 3.960 0.001 0.000 0.266 357 G HA3 -0.389 3.572 3.960 0.001 0.000 0.266 357 G C 0.232 175.154 174.900 0.036 0.000 0.978 357 G CA 0.538 45.662 45.100 0.041 0.000 0.632 357 G HN 0.233 nan 8.290 nan 0.000 0.537 358 R N 1.687 122.208 120.500 0.036 0.000 2.679 358 R HA 0.332 4.673 4.340 0.001 0.000 0.268 358 R C -1.917 174.411 176.300 0.047 0.000 1.044 358 R CA -0.810 55.305 56.100 0.024 0.000 1.105 358 R CB 0.391 30.706 30.300 0.025 0.000 0.989 358 R HN 0.180 nan 8.270 nan 0.000 0.447 359 P HA -0.049 nan 4.420 nan 0.000 0.271 359 P C -0.899 176.513 177.300 0.188 0.000 1.216 359 P CA -0.061 63.083 63.100 0.074 0.000 0.771 359 P CB 0.612 32.189 31.700 -0.204 0.000 0.864 360 D N 2.796 123.351 120.400 0.258 0.000 2.441 360 D HA 0.196 4.837 4.640 0.001 0.000 0.243 360 D C -0.916 175.522 176.300 0.231 0.000 1.257 360 D CA 0.257 54.388 54.000 0.218 0.000 1.027 360 D CB -0.586 40.329 40.800 0.191 0.000 1.084 360 D HN -0.035 nan 8.370 nan 0.000 0.514 361 V N 1.989 122.045 119.914 0.237 0.000 2.777 361 V HA 0.791 4.912 4.120 0.001 0.000 0.306 361 V C -1.593 174.575 176.094 0.123 0.000 1.112 361 V CA -0.425 62.011 62.300 0.226 0.000 0.917 361 V CB 1.631 33.699 31.823 0.408 0.000 1.018 361 V HN 0.528 nan 8.190 nan 0.000 0.426 362 A N 5.083 127.963 122.820 0.101 0.000 2.459 362 A HA 0.951 5.271 4.320 0.001 0.000 0.296 362 A C -0.418 177.121 177.584 -0.075 0.000 1.039 362 A CA -0.069 51.929 52.037 -0.065 0.000 0.698 362 A CB 1.796 20.683 19.000 -0.188 0.000 1.261 362 A HN 2.045 nan 8.150 nan 0.000 0.405 363 A N 1.894 124.612 122.820 -0.170 0.000 2.276 363 A HA 0.745 5.065 4.320 0.001 0.000 0.300 363 A C -0.871 176.601 177.584 -0.187 0.000 1.235 363 A CA 0.017 51.985 52.037 -0.116 0.000 0.867 363 A CB -0.265 18.664 19.000 -0.118 0.000 1.137 363 A HN 0.693 nan 8.150 nan 0.000 0.527 364 F N 0.398 120.397 119.950 0.082 0.000 2.594 364 F HA 0.498 5.025 4.527 0.001 0.000 0.335 364 F C 0.153 176.012 175.800 0.097 0.000 1.058 364 F CA -0.647 57.445 58.000 0.154 0.000 0.981 364 F CB 1.918 41.130 39.000 0.354 0.000 1.289 364 F HN 0.599 nan 8.300 nan 0.000 0.490 365 D N -0.127 120.530 120.400 0.428 0.000 2.192 365 D HA 0.342 4.983 4.640 0.001 0.000 0.246 365 D C -0.555 175.953 176.300 0.345 0.000 1.042 365 D CA -0.019 54.134 54.000 0.256 0.000 0.847 365 D CB 0.749 41.636 40.800 0.145 0.000 1.186 365 D HN 0.218 nan 8.370 nan 0.000 0.461 366 F N 1.238 121.123 119.950 -0.108 0.000 2.729 366 F HA 0.172 4.699 4.527 0.001 0.000 0.315 366 F C 1.951 177.664 175.800 -0.145 0.000 1.102 366 F CA -0.133 57.756 58.000 -0.185 0.000 1.204 366 F CB 0.256 39.202 39.000 -0.090 0.000 1.052 366 F HN 0.333 nan 8.300 nan 0.000 0.551 367 T N -1.412 113.176 114.554 0.056 0.000 2.809 367 T HA -0.002 4.348 4.350 0.001 0.000 0.260 367 T C 0.925 175.600 174.700 -0.043 0.000 1.039 367 T CA 1.009 63.123 62.100 0.023 0.000 1.141 367 T CB -0.045 68.841 68.868 0.029 0.000 0.869 367 T HN -0.072 nan 8.240 nan 0.000 0.437 368 S N 2.214 117.860 115.700 -0.089 0.000 2.456 368 S HA 0.521 4.991 4.470 0.001 0.000 0.316 368 S C -0.479 174.004 174.600 -0.195 0.000 1.089 368 S CA -0.701 57.436 58.200 -0.105 0.000 1.101 368 S CB 0.799 63.962 63.200 -0.061 0.000 0.995 368 S HN 0.159 nan 8.310 nan 0.000 0.468 369 M N 4.131 123.606 119.600 -0.208 0.000 2.061 369 M HA 0.412 4.892 4.480 0.001 0.000 0.346 369 M C -0.499 175.715 176.300 -0.144 0.000 1.112 369 M CA -0.134 54.999 55.300 -0.278 0.000 1.021 369 M CB 0.387 32.748 32.600 -0.399 0.000 1.530 369 M HN 0.440 nan 8.290 nan 0.000 0.437 370 M N 3.376 122.902 119.600 -0.123 0.000 2.188 370 M HA 0.474 4.954 4.480 0.001 0.000 0.357 370 M C 0.020 176.305 176.300 -0.024 0.000 1.204 370 M CA -0.072 55.194 55.300 -0.056 0.000 1.095 370 M CB 1.349 33.921 32.600 -0.046 0.000 1.604 370 M HN 0.588 nan 8.290 nan 0.000 0.464 371 R N 1.777 122.288 120.500 0.018 0.000 2.628 371 R HA 0.718 5.058 4.340 0.001 0.000 0.288 371 R C -1.311 175.051 176.300 0.103 0.000 0.980 371 R CA -0.448 55.698 56.100 0.076 0.000 0.891 371 R CB 1.876 32.231 30.300 0.092 0.000 1.188 371 R HN 0.868 nan 8.270 nan 0.000 0.450 372 A N 2.375 125.276 122.820 0.135 0.000 2.371 372 A HA 0.134 4.455 4.320 0.001 0.000 0.257 372 A C 0.709 178.443 177.584 0.250 0.000 1.089 372 A CA -0.292 51.834 52.037 0.150 0.000 0.794 372 A CB 0.878 19.923 19.000 0.075 0.000 1.029 372 A HN 1.041 nan 8.150 nan 0.000 0.488 373 E N 0.666 120.993 120.200 0.212 0.000 2.072 373 E HA -0.056 4.294 4.350 0.001 0.000 0.190 373 E C 0.728 177.497 176.600 0.283 0.000 0.982 373 E CA 1.197 57.722 56.400 0.209 0.000 0.803 373 E CB 0.086 29.860 29.700 0.124 0.000 0.755 373 E HN 0.773 nan 8.360 nan 0.000 0.453 374 S N -1.014 114.824 115.700 0.231 0.000 2.536 374 S HA 0.252 4.722 4.470 0.001 0.000 0.298 374 S C 0.477 175.142 174.600 0.108 0.000 1.083 374 S CA -0.242 58.068 58.200 0.183 0.000 0.995 374 S CB 1.814 65.054 63.200 0.067 0.000 1.058 374 S HN 0.102 nan 8.310 nan 0.000 0.488 375 S N 0.992 116.594 115.700 -0.164 0.000 2.558 375 S HA 0.549 5.020 4.470 0.001 0.000 0.217 375 S C 0.553 175.216 174.600 0.104 0.000 0.975 375 S CA 0.040 58.063 58.200 -0.294 0.000 0.912 375 S CB -0.355 62.417 63.200 -0.714 0.000 0.776 375 S HN 1.463 nan 8.310 nan 0.000 0.526 376 A N 0.820 123.764 122.820 0.207 0.000 2.594 376 A HA 0.843 5.163 4.320 0.001 0.000 0.295 376 A C -0.790 176.753 177.584 -0.068 0.000 1.071 376 A CA -0.996 51.136 52.037 0.157 0.000 0.685 376 A CB 1.385 20.414 19.000 0.049 0.000 1.285 376 A HN 0.300 nan 8.150 nan 0.000 0.405 377 R N 0.387 120.807 120.500 -0.133 0.000 2.566 377 R HA 0.570 4.911 4.340 0.001 0.000 0.271 377 R C -1.817 174.399 176.300 -0.141 0.000 1.071 377 R CA -0.656 55.280 56.100 -0.272 0.000 0.915 377 R CB 2.544 32.447 30.300 -0.662 0.000 1.228 377 R HN 0.491 nan 8.270 nan 0.000 0.449 378 V N 2.986 122.876 119.914 -0.039 0.000 2.459 378 V HA 0.351 4.471 4.120 0.001 0.000 0.295 378 V C -0.384 175.750 176.094 0.067 0.000 1.029 378 V CA -0.663 61.663 62.300 0.045 0.000 0.874 378 V CB 1.821 33.787 31.823 0.238 0.000 0.985 378 V HN 0.668 nan 8.190 nan 0.000 0.438 379 Q N 3.156 122.927 119.800 -0.050 0.000 2.333 379 Q HA 0.508 4.849 4.340 0.001 0.000 0.267 379 Q C -0.798 175.283 176.000 0.135 0.000 1.012 379 Q CA -0.456 55.308 55.803 -0.064 0.000 0.824 379 Q CB 2.583 31.125 28.738 -0.327 0.000 1.290 379 Q HN 0.685 nan 8.270 nan 0.000 0.449 380 E N 3.465 123.787 120.200 0.203 0.000 2.224 380 E HA 0.356 4.706 4.350 0.001 0.000 0.265 380 E C -1.736 174.990 176.600 0.210 0.000 0.878 380 E CA -0.461 56.109 56.400 0.284 0.000 0.759 380 E CB 1.524 31.356 29.700 0.221 0.000 1.164 380 E HN 0.472 nan 8.360 nan 0.000 0.414 381 K N 3.603 124.139 120.400 0.227 0.000 2.553 381 K HA 0.228 4.549 4.320 0.001 0.000 0.250 381 K C -0.674 175.892 176.600 -0.057 0.000 0.953 381 K CA -0.516 55.752 56.287 -0.032 0.000 0.800 381 K CB 0.662 33.106 32.500 -0.094 0.000 1.243 381 K HN 0.643 nan 8.250 nan 0.000 0.435 382 H N 1.638 120.690 119.070 -0.030 0.000 2.861 382 H HA -0.237 4.320 4.556 0.001 0.000 0.289 382 H C 0.725 176.040 175.328 -0.021 0.000 1.176 382 H CA 1.803 57.825 56.048 -0.044 0.000 1.146 382 H CB -1.035 28.674 29.762 -0.089 0.000 1.330 382 H HN 1.124 nan 8.280 nan 0.000 0.379 383 G N -1.683 107.171 108.800 0.091 0.000 2.339 383 G HA2 -0.076 3.884 3.960 0.001 0.000 0.209 383 G HA3 -0.076 3.884 3.960 0.001 0.000 0.209 383 G C 0.414 175.378 174.900 0.107 0.000 1.015 383 G CA 0.169 45.319 45.100 0.083 0.000 0.635 383 G HN 1.086 nan 8.290 nan 0.000 0.499 384 A N 1.187 124.084 122.820 0.129 0.000 2.331 384 A HA 0.767 5.088 4.320 0.001 0.000 0.283 384 A C 0.516 178.307 177.584 0.345 0.000 1.142 384 A CA -0.165 51.988 52.037 0.194 0.000 0.812 384 A CB 0.348 19.437 19.000 0.148 0.000 1.074 384 A HN 0.456 nan 8.150 nan 0.000 0.497 385 R N 1.037 121.744 120.500 0.345 0.000 2.368 385 R HA 0.526 4.866 4.340 0.001 0.000 0.302 385 R C -1.309 175.254 176.300 0.439 0.000 1.002 385 R CA -0.661 55.704 56.100 0.441 0.000 0.929 385 R CB 1.394 31.958 30.300 0.439 0.000 1.073 385 R HN 0.558 nan 8.270 nan 0.000 0.464 386 L N 3.872 125.209 121.223 0.189 0.000 2.381 386 L HA 0.396 4.736 4.340 0.001 0.000 0.274 386 L C -1.575 175.123 176.870 -0.286 0.000 0.988 386 L CA -0.875 53.855 54.840 -0.182 0.000 0.824 386 L CB 1.695 43.231 42.059 -0.872 0.000 1.263 386 L HN 0.491 nan 8.230 nan 0.000 0.410 387 L N 5.823 126.735 121.223 -0.519 0.000 2.272 387 L HA 0.633 4.973 4.340 0.001 0.000 0.289 387 L C -1.455 175.202 176.870 -0.355 0.000 1.032 387 L CA -0.011 54.423 54.840 -0.677 0.000 0.810 387 L CB 1.122 42.330 42.059 -1.419 0.000 1.205 387 L HN 0.610 nan 8.230 nan 0.000 0.422 388 L N 5.558 126.665 121.223 -0.193 0.000 2.313 388 L HA 0.834 5.175 4.340 0.001 0.000 0.283 388 L C 0.436 177.361 176.870 0.091 0.000 1.013 388 L CA -0.001 54.830 54.840 -0.015 0.000 0.816 388 L CB 1.700 43.838 42.059 0.131 0.000 1.236 388 L HN 0.744 nan 8.230 nan 0.000 0.419 389 G N 3.586 112.383 108.800 -0.005 0.000 2.617 389 G HA2 0.707 4.667 3.960 0.001 0.000 0.306 389 G HA3 0.707 4.667 3.960 0.001 0.000 0.306 389 G C -1.130 173.670 174.900 -0.168 0.000 1.360 389 G CA -0.573 44.505 45.100 -0.036 0.000 0.983 389 G HN 0.364 nan 8.290 nan 0.000 0.496 390 L N 1.243 122.320 121.223 -0.244 0.000 2.325 390 L HA 0.712 5.052 4.340 0.001 0.000 0.279 390 L C -0.402 176.348 176.870 -0.199 0.000 1.054 390 L CA -1.044 53.607 54.840 -0.316 0.000 0.804 390 L CB 1.914 43.701 42.059 -0.453 0.000 1.200 390 L HN 0.155 nan 8.230 nan 0.000 0.436 391 V N 1.755 121.569 119.914 -0.168 0.000 2.612 391 V HA 0.790 4.911 4.120 0.001 0.000 0.301 391 V C 0.368 176.406 176.094 -0.094 0.000 1.059 391 V CA 0.182 62.414 62.300 -0.113 0.000 0.886 391 V CB 1.139 32.897 31.823 -0.108 0.000 1.007 391 V HN 1.091 nan 8.190 nan 0.000 0.426 392 G N 4.570 113.335 108.800 -0.058 0.000 2.513 392 G HA2 -0.190 3.771 3.960 0.001 0.000 0.227 392 G HA3 -0.190 3.771 3.960 0.001 0.000 0.227 392 G C 0.315 175.200 174.900 -0.025 0.000 1.176 392 G CA 0.462 45.540 45.100 -0.038 0.000 0.967 392 G HN 0.585 nan 8.290 nan 0.000 0.587 393 D N 0.150 120.540 120.400 -0.017 0.000 2.178 393 D HA -0.084 4.556 4.640 0.001 0.000 0.201 393 D C 2.580 178.878 176.300 -0.003 0.000 0.980 393 D CA 2.258 56.264 54.000 0.009 0.000 0.842 393 D CB -0.483 40.338 40.800 0.035 0.000 0.948 393 D HN 0.910 nan 8.370 nan 0.000 0.472 394 C N -0.776 118.509 119.300 -0.026 0.000 2.514 394 C HA 0.227 4.688 4.460 0.001 0.000 0.271 394 C C 2.311 177.249 174.990 -0.087 0.000 1.399 394 C CA -0.459 58.535 59.018 -0.040 0.000 1.765 394 C CB -1.089 26.634 27.740 -0.029 0.000 1.893 394 C HN 0.178 nan 8.230 nan 0.000 0.531 395 L N 2.518 123.688 121.223 -0.088 0.000 2.071 395 L HA 0.336 4.676 4.340 0.001 0.000 0.201 395 L C 0.840 177.718 176.870 0.014 0.000 1.076 395 L CA 2.065 56.851 54.840 -0.089 0.000 0.755 395 L CB -0.204 41.783 42.059 -0.120 0.000 0.915 395 L HN 0.457 nan 8.230 nan 0.000 0.445 396 V N -2.080 117.855 119.914 0.035 0.000 2.638 396 V HA 0.540 4.661 4.120 0.001 0.000 0.306 396 V C -0.610 175.487 176.094 0.004 0.000 1.052 396 V CA -0.913 61.418 62.300 0.051 0.000 0.885 396 V CB 1.458 33.344 31.823 0.106 0.000 0.999 396 V HN 0.120 nan 8.190 nan 0.000 0.424 397 E N 5.515 125.685 120.200 -0.050 0.000 2.152 397 E HA 0.413 4.763 4.350 0.001 0.000 0.285 397 E C -2.525 173.952 176.600 -0.206 0.000 1.043 397 E CA -1.379 54.949 56.400 -0.121 0.000 0.839 397 E CB 2.034 31.615 29.700 -0.198 0.000 1.069 397 E HN 0.671 nan 8.360 nan 0.000 0.399 398 P HA 0.253 nan 4.420 nan 0.000 0.290 398 P C -0.667 176.460 177.300 -0.289 0.000 1.275 398 P CA -0.622 62.446 63.100 -0.054 0.000 0.841 398 P CB 0.441 32.233 31.700 0.154 0.000 1.042 399 F N 1.449 121.314 119.950 -0.141 0.000 2.490 399 F HA 0.093 4.621 4.527 0.001 0.000 0.357 399 F C 1.144 176.912 175.800 -0.054 0.000 1.166 399 F CA -0.103 57.756 58.000 -0.234 0.000 1.116 399 F CB -0.327 38.612 39.000 -0.102 0.000 1.171 399 F HN 0.361 nan 8.300 nan 0.000 0.576 400 W N 3.328 124.515 121.300 -0.188 0.000 2.350 400 W HA -0.137 4.524 4.660 0.001 0.000 0.289 400 W C -0.193 176.398 176.519 0.120 0.000 1.215 400 W CA 0.563 57.873 57.345 -0.057 0.000 1.236 400 W CB -2.356 27.041 29.460 -0.105 0.000 1.130 400 W HN 0.365 nan 8.180 nan 0.000 0.541 401 P HA -0.158 nan 4.420 nan 0.000 0.218 401 P C 1.790 179.231 177.300 0.235 0.000 1.148 401 P CA 1.554 64.855 63.100 0.335 0.000 0.822 401 P CB -0.275 31.625 31.700 0.333 0.000 0.784 402 L N -1.340 120.018 121.223 0.225 0.000 2.109 402 L HA 0.104 4.444 4.340 0.001 0.000 0.207 402 L C 1.375 178.375 176.870 0.218 0.000 1.086 402 L CA 0.974 55.923 54.840 0.181 0.000 0.760 402 L CB -1.512 40.648 42.059 0.169 0.000 0.910 402 L HN 0.087 nan 8.230 nan 0.000 0.437 403 G N 1.043 109.994 108.800 0.252 0.000 2.473 403 G HA2 -0.236 3.725 3.960 0.001 0.000 0.289 403 G HA3 -0.236 3.725 3.960 0.001 0.000 0.289 403 G C 0.464 175.497 174.900 0.222 0.000 1.084 403 G CA 0.410 45.650 45.100 0.233 0.000 1.215 403 G HN 0.415 nan 8.290 nan 0.000 0.527 404 T N -2.590 112.042 114.554 0.131 0.000 3.145 404 T HA 0.487 4.837 4.350 0.001 0.000 0.281 404 T C 2.107 176.677 174.700 -0.216 0.000 1.003 404 T CA 0.950 63.006 62.100 -0.073 0.000 0.901 404 T CB 0.911 69.856 68.868 0.128 0.000 1.112 404 T HN 1.191 nan 8.240 nan 0.000 0.535 405 G N 2.111 110.840 108.800 -0.118 0.000 2.484 405 G HA2 -0.136 3.825 3.960 0.001 0.000 0.215 405 G HA3 -0.136 3.825 3.960 0.001 0.000 0.215 405 G C 1.409 176.178 174.900 -0.218 0.000 1.219 405 G CA 1.154 46.183 45.100 -0.117 0.000 0.791 405 G HN 0.425 nan 8.290 nan 0.000 0.550 406 V N 1.748 121.466 119.914 -0.326 0.000 2.490 406 V HA -0.116 4.005 4.120 0.001 0.000 0.250 406 V C 3.299 179.038 176.094 -0.593 0.000 1.061 406 V CA 1.902 63.914 62.300 -0.479 0.000 1.064 406 V CB -0.945 30.510 31.823 -0.614 0.000 0.670 406 V HN 0.503 nan 8.190 nan 0.000 0.461 407 A N 0.476 122.905 122.820 -0.652 0.000 1.865 407 A HA -0.224 4.096 4.320 0.001 0.000 0.217 407 A C 2.407 179.827 177.584 -0.273 0.000 1.191 407 A CA 2.012 53.635 52.037 -0.690 0.000 0.623 407 A CB -0.435 17.479 19.000 -1.810 0.000 0.826 407 A HN 0.528 nan 8.150 nan 0.000 0.444 408 R N -1.072 119.265 120.500 -0.270 0.000 2.210 408 R HA 0.053 4.393 4.340 0.001 0.000 0.203 408 R C 2.319 178.621 176.300 0.003 0.000 1.010 408 R CA 0.615 56.676 56.100 -0.065 0.000 1.008 408 R CB -0.353 29.926 30.300 -0.035 0.000 0.923 408 R HN 0.516 nan 8.270 nan 0.000 0.469 409 G N 1.087 109.876 108.800 -0.018 0.000 2.433 409 G HA2 -0.247 3.713 3.960 0.001 0.000 0.216 409 G HA3 -0.247 3.713 3.960 0.001 0.000 0.216 409 G C 1.001 175.934 174.900 0.055 0.000 1.186 409 G CA 0.452 45.567 45.100 0.025 0.000 0.779 409 G HN 0.104 nan 8.290 nan 0.000 0.543 410 F N 0.824 120.621 119.950 -0.255 0.000 2.192 410 F HA 0.004 4.531 4.527 0.001 0.000 0.301 410 F C 2.601 178.050 175.800 -0.587 0.000 1.079 410 F CA 0.556 58.291 58.000 -0.442 0.000 1.303 410 F CB -0.524 38.213 39.000 -0.439 0.000 1.024 410 F HN 0.034 nan 8.300 nan 0.000 0.494 411 L N -1.034 120.168 121.223 -0.036 0.000 2.044 411 L HA -0.161 4.180 4.340 0.001 0.000 0.205 411 L C 2.672 179.596 176.870 0.090 0.000 1.075 411 L CA 1.130 56.001 54.840 0.052 0.000 0.747 411 L CB -0.906 41.267 42.059 0.190 0.000 0.903 411 L HN 0.094 nan 8.230 nan 0.000 0.435 412 A N -0.094 122.766 122.820 0.067 0.000 1.978 412 A HA -0.217 4.104 4.320 0.001 0.000 0.220 412 A C 2.462 180.065 177.584 0.031 0.000 1.170 412 A CA 1.800 53.873 52.037 0.060 0.000 0.636 412 A CB -0.653 18.355 19.000 0.015 0.000 0.810 412 A HN 0.446 nan 8.150 nan 0.000 0.448 413 A N -0.837 121.958 122.820 -0.043 0.000 1.873 413 A HA 0.058 4.379 4.320 0.001 0.000 0.215 413 A C 1.905 179.576 177.584 0.146 0.000 1.186 413 A CA 1.537 53.546 52.037 -0.048 0.000 0.616 413 A CB -0.686 18.179 19.000 -0.225 0.000 0.823 413 A HN 0.424 nan 8.150 nan 0.000 0.442 414 F N 0.969 120.963 119.950 0.074 0.000 2.134 414 F HA -0.104 4.423 4.527 0.001 0.000 0.299 414 F C 1.782 177.658 175.800 0.126 0.000 1.097 414 F CA 1.199 59.256 58.000 0.095 0.000 1.264 414 F CB -0.961 38.092 39.000 0.088 0.000 1.001 414 F HN 0.251 nan 8.300 nan 0.000 0.479 415 D N -0.429 120.168 120.400 0.328 0.000 2.347 415 D HA 0.036 4.677 4.640 0.001 0.000 0.215 415 D C 2.159 178.609 176.300 0.251 0.000 0.976 415 D CA 0.911 55.084 54.000 0.288 0.000 0.884 415 D CB -0.266 40.698 40.800 0.274 0.000 0.915 415 D HN 0.222 nan 8.370 nan 0.000 0.526 416 A N 0.545 123.474 122.820 0.181 0.000 2.030 416 A HA 0.285 4.606 4.320 0.001 0.000 0.215 416 A C 2.193 179.848 177.584 0.119 0.000 1.164 416 A CA 1.080 53.181 52.037 0.107 0.000 0.697 416 A CB -0.112 18.907 19.000 0.031 0.000 0.827 416 A HN 0.187 nan 8.150 nan 0.000 0.457 417 A N -1.287 121.640 122.820 0.179 0.000 1.930 417 A HA -0.076 4.245 4.320 0.001 0.000 0.215 417 A C 2.026 179.729 177.584 0.198 0.000 1.176 417 A CA 0.995 53.135 52.037 0.172 0.000 0.632 417 A CB -0.793 18.333 19.000 0.209 0.000 0.819 417 A HN 0.814 nan 8.150 nan 0.000 0.445 418 W N 0.179 121.516 121.300 0.061 0.000 2.363 418 W HA -0.199 4.462 4.660 0.001 0.000 0.296 418 W C 2.005 178.563 176.519 0.065 0.000 1.212 418 W CA 1.867 59.238 57.345 0.043 0.000 1.260 418 W CB -0.152 29.336 29.460 0.046 0.000 1.131 418 W HN 0.423 nan 8.180 nan 0.000 0.530 419 M N 0.334 120.021 119.600 0.146 0.000 2.086 419 M HA -0.221 4.260 4.480 0.001 0.000 0.261 419 M C 1.819 178.138 176.300 0.031 0.000 1.067 419 M CA 1.970 57.306 55.300 0.060 0.000 1.116 419 M CB -0.570 32.078 32.600 0.080 0.000 1.348 419 M HN -0.200 nan 8.290 nan 0.000 0.407 420 V N 0.752 120.683 119.914 0.028 0.000 2.407 420 V HA -0.286 3.835 4.120 0.001 0.000 0.248 420 V C 2.352 178.501 176.094 0.091 0.000 1.055 420 V CA 2.031 64.371 62.300 0.066 0.000 1.049 420 V CB -1.075 30.770 31.823 0.036 0.000 0.662 420 V HN 0.530 nan 8.190 nan 0.000 0.455 421 K N 0.268 120.642 120.400 -0.044 0.000 1.985 421 K HA -0.209 4.112 4.320 0.001 0.000 0.210 421 K C 2.482 178.963 176.600 -0.198 0.000 1.047 421 K CA 1.412 57.607 56.287 -0.154 0.000 0.932 421 K CB -0.115 32.186 32.500 -0.332 0.000 0.716 421 K HN 0.262 nan 8.250 nan 0.000 0.439 422 R N 0.336 120.648 120.500 -0.313 0.000 2.096 422 R HA -0.185 4.156 4.340 0.001 0.000 0.235 422 R C 2.087 178.360 176.300 -0.046 0.000 1.127 422 R CA 1.227 57.186 56.100 -0.236 0.000 0.968 422 R CB -1.023 29.123 30.300 -0.257 0.000 0.861 422 R HN 0.596 nan 8.270 nan 0.000 0.440 423 W N 1.609 122.821 121.300 -0.146 0.000 2.333 423 W HA -0.154 4.506 4.660 0.001 0.000 0.316 423 W C 1.498 177.975 176.519 -0.071 0.000 1.215 423 W CA 1.847 59.140 57.345 -0.087 0.000 1.278 423 W CB -0.189 29.238 29.460 -0.056 0.000 1.154 423 W HN 0.105 nan 8.180 nan 0.000 0.486 424 A N 0.440 123.302 122.820 0.070 0.000 2.255 424 A HA -0.103 4.218 4.320 0.001 0.000 0.206 424 A C 1.348 178.876 177.584 -0.095 0.000 1.193 424 A CA 1.098 53.120 52.037 -0.024 0.000 0.794 424 A CB -0.632 18.410 19.000 0.069 0.000 0.794 424 A HN 0.533 nan 8.150 nan 0.000 0.481 425 E N -1.252 118.871 120.200 -0.128 0.000 2.501 425 E HA 0.293 4.644 4.350 0.001 0.000 0.201 425 E C 0.972 177.473 176.600 -0.164 0.000 1.016 425 E CA 0.117 56.440 56.400 -0.128 0.000 0.920 425 E CB 0.169 29.797 29.700 -0.121 0.000 1.023 425 E HN 0.602 nan 8.360 nan 0.000 0.474 426 G N 1.681 110.329 108.800 -0.253 0.000 2.225 426 G HA2 -0.405 3.556 3.960 0.001 0.000 0.267 426 G HA3 -0.405 3.556 3.960 0.001 0.000 0.267 426 G C 1.103 175.854 174.900 -0.249 0.000 1.024 426 G CA 0.394 45.309 45.100 -0.309 0.000 0.784 426 G HN 0.432 nan 8.290 nan 0.000 0.507 427 A N -0.541 122.158 122.820 -0.201 0.000 1.997 427 A HA 0.419 4.739 4.320 0.001 0.000 0.221 427 A C 2.280 179.787 177.584 -0.127 0.000 1.172 427 A CA 2.266 54.226 52.037 -0.128 0.000 0.645 427 A CB -0.314 18.636 19.000 -0.082 0.000 0.813 427 A HN 2.733 nan 8.150 nan 0.000 0.454 428 G N -2.795 105.896 108.800 -0.182 0.000 3.438 428 G HA2 0.122 4.082 3.960 0.001 0.000 0.684 428 G HA3 0.122 4.082 3.960 0.001 0.000 0.684 428 G C -1.402 173.404 174.900 -0.156 0.000 1.192 428 G CA -0.353 44.634 45.100 -0.187 0.000 1.013 428 G HN 0.068 nan 8.290 nan 0.000 0.530 429 P HA -0.269 nan 4.420 nan 0.000 0.214 429 P C 2.436 179.631 177.300 -0.176 0.000 1.099 429 P CA 1.848 64.814 63.100 -0.223 0.000 0.976 429 P CB 0.039 31.203 31.700 -0.893 0.000 0.774 430 L N -1.525 119.541 121.223 -0.262 0.000 2.089 430 L HA -0.240 4.100 4.340 0.001 0.000 0.213 430 L C 2.614 179.466 176.870 -0.031 0.000 1.079 430 L CA 1.646 56.424 54.840 -0.102 0.000 0.758 430 L CB -0.799 41.217 42.059 -0.071 0.000 0.891 430 L HN 0.043 nan 8.230 nan 0.000 0.433 431 E N 0.206 120.386 120.200 -0.034 0.000 2.016 431 E HA -0.155 4.195 4.350 0.001 0.000 0.190 431 E C 2.149 178.773 176.600 0.040 0.000 0.985 431 E CA 1.639 58.042 56.400 0.004 0.000 0.802 431 E CB -0.298 29.396 29.700 -0.010 0.000 0.762 431 E HN 0.278 nan 8.360 nan 0.000 0.448 432 V N -0.076 119.871 119.914 0.055 0.000 2.370 432 V HA -0.283 3.837 4.120 0.001 0.000 0.252 432 V C 2.291 178.447 176.094 0.104 0.000 1.068 432 V CA 2.054 64.417 62.300 0.104 0.000 1.061 432 V CB -0.884 31.063 31.823 0.206 0.000 0.656 432 V HN 0.250 nan 8.190 nan 0.000 0.455 433 L N 0.686 121.958 121.223 0.081 0.000 2.027 433 L HA 0.008 4.348 4.340 0.001 0.000 0.206 433 L C 3.076 179.996 176.870 0.083 0.000 1.074 433 L CA 1.718 56.601 54.840 0.071 0.000 0.745 433 L CB -0.974 41.114 42.059 0.048 0.000 0.898 433 L HN 0.403 nan 8.230 nan 0.000 0.433 434 A N -0.178 122.685 122.820 0.072 0.000 1.940 434 A HA -0.244 4.076 4.320 0.001 0.000 0.219 434 A C 2.141 179.784 177.584 0.098 0.000 1.176 434 A CA 1.875 53.957 52.037 0.075 0.000 0.631 434 A CB -0.442 18.591 19.000 0.056 0.000 0.814 434 A HN 0.381 nan 8.150 nan 0.000 0.446 435 E N -0.744 119.527 120.200 0.118 0.000 2.017 435 E HA -0.197 4.153 4.350 0.001 0.000 0.193 435 E C 2.248 178.960 176.600 0.186 0.000 0.997 435 E CA 1.646 58.145 56.400 0.165 0.000 0.804 435 E CB -0.178 29.652 29.700 0.217 0.000 0.757 435 E HN 0.530 nan 8.360 nan 0.000 0.448 436 R N 0.946 121.558 120.500 0.186 0.000 2.083 436 R HA -0.158 4.183 4.340 0.001 0.000 0.237 436 R C 1.815 178.230 176.300 0.192 0.000 1.137 436 R CA 1.632 57.847 56.100 0.192 0.000 0.951 436 R CB -0.201 30.187 30.300 0.147 0.000 0.851 436 R HN 0.082 nan 8.270 nan 0.000 0.434 437 E N -0.136 120.164 120.200 0.168 0.000 2.208 437 E HA -0.044 4.306 4.350 0.001 0.000 0.193 437 E C 2.029 178.720 176.600 0.151 0.000 0.988 437 E CA 1.194 57.712 56.400 0.196 0.000 0.828 437 E CB -0.143 29.648 29.700 0.152 0.000 0.763 437 E HN 0.303 nan 8.360 nan 0.000 0.478 438 S N 0.896 116.662 115.700 0.110 0.000 2.383 438 S HA -0.021 4.450 4.470 0.001 0.000 0.227 438 S C 2.086 176.705 174.600 0.032 0.000 1.026 438 S CA 0.592 58.828 58.200 0.061 0.000 0.981 438 S CB -0.078 63.159 63.200 0.062 0.000 0.818 438 S HN 0.186 nan 8.310 nan 0.000 0.472 439 L N -0.311 120.963 121.223 0.085 0.000 2.072 439 L HA -0.043 4.298 4.340 0.001 0.000 0.205 439 L C 2.354 179.250 176.870 0.043 0.000 1.079 439 L CA 1.209 56.081 54.840 0.052 0.000 0.752 439 L CB -0.579 41.595 42.059 0.192 0.000 0.906 439 L HN 0.310 nan 8.230 nan 0.000 0.436 440 Y N 1.155 121.462 120.300 0.012 0.000 2.274 440 Y HA -0.276 4.275 4.550 0.001 0.000 0.290 440 Y C 2.580 178.468 175.900 -0.019 0.000 1.145 440 Y CA 1.428 59.537 58.100 0.016 0.000 1.203 440 Y CB -0.422 38.069 38.460 0.052 0.000 0.984 440 Y HN 0.182 nan 8.280 nan 0.000 0.533 441 Q N -0.208 119.476 119.800 -0.193 0.000 2.443 441 Q HA -0.151 4.190 4.340 0.001 0.000 0.213 441 Q C 1.772 177.621 176.000 -0.252 0.000 0.982 441 Q CA 1.307 56.948 55.803 -0.270 0.000 0.894 441 Q CB -0.192 28.467 28.738 -0.132 0.000 0.947 441 Q HN 0.594 nan 8.270 nan 0.000 0.480 442 L N -0.879 120.192 121.223 -0.254 0.000 2.416 442 L HA -0.052 4.289 4.340 0.001 0.000 0.216 442 L C 1.800 178.555 176.870 -0.191 0.000 1.098 442 L CA -0.115 54.558 54.840 -0.279 0.000 0.840 442 L CB -0.007 41.732 42.059 -0.533 0.000 0.981 442 L HN 0.234 nan 8.230 nan 0.000 0.462 443 L N -0.548 120.589 121.223 -0.142 0.000 2.270 443 L HA -0.259 4.082 4.340 0.001 0.000 0.217 443 L C 2.404 179.295 176.870 0.035 0.000 1.107 443 L CA 1.552 56.399 54.840 0.012 0.000 0.772 443 L CB -0.266 41.876 42.059 0.139 0.000 0.902 443 L HN 0.184 nan 8.230 nan 0.000 0.439 444 S N -1.518 114.167 115.700 -0.024 0.000 2.327 444 S HA -0.143 4.328 4.470 0.001 0.000 0.213 444 S C 1.717 176.349 174.600 0.052 0.000 1.032 444 S CA 0.742 58.958 58.200 0.027 0.000 0.960 444 S CB -0.199 62.996 63.200 -0.008 0.000 0.900 444 S HN 0.397 nan 8.310 nan 0.000 0.469 445 Q N 1.663 121.466 119.800 0.004 0.000 2.224 445 Q HA -0.129 4.211 4.340 0.001 0.000 0.213 445 Q C 0.855 176.897 176.000 0.069 0.000 0.998 445 Q CA 1.441 57.252 55.803 0.012 0.000 0.895 445 Q CB -1.221 27.497 28.738 -0.033 0.000 0.926 445 Q HN 0.729 nan 8.270 nan 0.000 0.417 446 T N -0.362 114.259 114.554 0.112 0.000 2.718 446 T HA 0.124 4.475 4.350 0.001 0.000 0.265 446 T C 0.051 174.957 174.700 0.343 0.000 1.014 446 T CA 0.114 62.358 62.100 0.241 0.000 1.172 446 T CB 0.194 69.261 68.868 0.331 0.000 1.007 446 T HN 0.282 nan 8.240 nan 0.000 0.500 447 S N 1.888 117.703 115.700 0.193 0.000 2.618 447 S HA 0.624 5.094 4.470 0.001 0.000 0.277 447 S C -2.692 171.723 174.600 -0.308 0.000 1.138 447 S CA -1.755 56.398 58.200 -0.077 0.000 0.844 447 S CB 1.925 65.076 63.200 -0.081 0.000 1.127 447 S HN 0.323 nan 8.310 nan 0.000 0.474 448 P HA 0.017 nan 4.420 nan 0.000 0.226 448 P C 0.662 177.841 177.300 -0.201 0.000 1.146 448 P CA 1.052 63.888 63.100 -0.441 0.000 0.773 448 P CB 0.078 31.438 31.700 -0.566 0.000 0.772 449 E N -0.248 119.847 120.200 -0.175 0.000 2.122 449 E HA -0.076 4.274 4.350 0.001 0.000 0.190 449 E C 1.269 177.835 176.600 -0.056 0.000 0.977 449 E CA 0.886 57.228 56.400 -0.097 0.000 0.820 449 E CB -0.702 28.946 29.700 -0.087 0.000 0.770 449 E HN 0.367 nan 8.360 nan 0.000 0.462 450 N N -0.277 118.398 118.700 -0.041 0.000 2.251 450 N HA 0.080 4.821 4.740 0.001 0.000 0.217 450 N C 0.005 175.506 175.510 -0.014 0.000 1.124 450 N CA 0.086 53.122 53.050 -0.024 0.000 0.843 450 N CB 0.121 38.599 38.487 -0.015 0.000 1.024 450 N HN 0.064 nan 8.380 nan 0.000 0.501 451 M N -0.484 119.118 119.600 0.005 0.000 2.821 451 M HA 0.271 4.752 4.480 0.001 0.000 0.304 451 M C -0.321 176.006 176.300 0.045 0.000 1.233 451 M CA -0.892 54.431 55.300 0.039 0.000 0.851 451 M CB 1.267 33.952 32.600 0.143 0.000 1.723 451 M HN -0.058 nan 8.290 nan 0.000 0.493 452 H N 1.452 120.608 119.070 0.142 0.000 3.046 452 H HA 0.041 4.597 4.556 0.001 0.000 0.303 452 H C 0.524 175.980 175.328 0.214 0.000 1.002 452 H CA 0.691 56.828 56.048 0.147 0.000 1.460 452 H CB 0.584 30.380 29.762 0.056 0.000 1.493 452 H HN 0.469 nan 8.280 nan 0.000 0.559 453 R N 2.006 122.661 120.500 0.259 0.000 2.096 453 R HA -0.117 4.223 4.340 0.001 0.000 0.235 453 R C 0.889 177.243 176.300 0.090 0.000 1.127 453 R CA 0.778 56.953 56.100 0.125 0.000 0.968 453 R CB -0.112 30.238 30.300 0.082 0.000 0.861 453 R HN 0.308 nan 8.270 nan 0.000 0.440 454 N N 1.654 120.433 118.700 0.132 0.000 2.971 454 N HA -0.037 4.704 4.740 0.001 0.000 0.294 454 N C 1.014 176.572 175.510 0.080 0.000 1.210 454 N CA -0.102 52.990 53.050 0.071 0.000 1.157 454 N CB 0.559 39.078 38.487 0.054 0.000 1.450 454 N HN 0.103 nan 8.380 nan 0.000 0.527 455 V N 3.457 123.305 119.914 -0.109 0.000 2.277 455 V HA -0.365 3.755 4.120 0.001 0.000 0.253 455 V C 1.968 177.961 176.094 -0.167 0.000 1.067 455 V CA 2.773 64.854 62.300 -0.365 0.000 1.047 455 V CB -0.876 30.793 31.823 -0.257 0.000 0.649 455 V HN 0.567 nan 8.190 nan 0.000 0.447 456 A N -1.019 121.669 122.820 -0.219 0.000 1.917 456 A HA -0.299 4.021 4.320 0.001 0.000 0.219 456 A C 2.152 179.818 177.584 0.137 0.000 1.182 456 A CA 2.130 54.066 52.037 -0.167 0.000 0.633 456 A CB -0.755 18.128 19.000 -0.195 0.000 0.819 456 A HN 0.657 nan 8.150 nan 0.000 0.448 457 Q N -1.103 118.781 119.800 0.140 0.000 2.515 457 Q HA -0.020 4.320 4.340 0.001 0.000 0.212 457 Q C -0.660 175.465 176.000 0.209 0.000 0.970 457 Q CA 0.103 55.993 55.803 0.146 0.000 0.941 457 Q CB -0.301 28.477 28.738 0.067 0.000 0.998 457 Q HN 0.679 nan 8.270 nan 0.000 0.518 458 Y N -0.298 120.031 120.300 0.048 0.000 2.620 458 Y HA 0.288 4.838 4.550 0.001 0.000 0.330 458 Y C 1.197 177.060 175.900 -0.062 0.000 1.186 458 Y CA 0.530 58.644 58.100 0.024 0.000 1.467 458 Y CB 0.485 39.058 38.460 0.187 0.000 1.262 458 Y HN -0.014 nan 8.280 nan 0.000 0.550 459 G N 1.762 110.463 108.800 -0.166 0.000 2.663 459 G HA2 0.307 4.267 3.960 0.001 0.000 0.299 459 G HA3 0.307 4.267 3.960 0.001 0.000 0.299 459 G C 0.029 174.663 174.900 -0.444 0.000 1.372 459 G CA -0.862 44.068 45.100 -0.283 0.000 0.781 459 G HN 0.586 nan 8.290 nan 0.000 0.491 460 L N -0.103 120.887 121.223 -0.388 0.000 2.079 460 L HA -0.027 4.314 4.340 0.001 0.000 0.210 460 L C 1.227 177.909 176.870 -0.315 0.000 1.081 460 L CA 0.973 55.662 54.840 -0.253 0.000 0.752 460 L CB -0.074 41.931 42.059 -0.089 0.000 0.896 460 L HN 0.495 nan 8.230 nan 0.000 0.433 461 D N 1.254 121.401 120.400 -0.421 0.000 2.426 461 D HA -0.048 4.592 4.640 0.001 0.000 0.261 461 D C -1.542 174.303 176.300 -0.758 0.000 1.245 461 D CA -1.125 52.380 54.000 -0.824 0.000 0.917 461 D CB 1.321 41.861 40.800 -0.433 0.000 1.123 461 D HN 0.090 nan 8.370 nan 0.000 0.508 462 P HA -0.074 nan 4.420 nan 0.000 0.226 462 P C 0.779 177.807 177.300 -0.454 0.000 1.153 462 P CA 0.512 63.238 63.100 -0.623 0.000 0.777 462 P CB 0.180 31.582 31.700 -0.497 0.000 0.794 463 A N 0.175 122.770 122.820 -0.375 0.000 2.208 463 A HA 0.007 4.328 4.320 0.001 0.000 0.209 463 A C 1.943 179.406 177.584 -0.201 0.000 1.161 463 A CA 1.333 53.265 52.037 -0.175 0.000 0.782 463 A CB -1.419 17.505 19.000 -0.127 0.000 0.816 463 A HN 0.332 nan 8.150 nan 0.000 0.477 464 T N -3.786 110.553 114.554 -0.358 0.000 3.148 464 T HA 0.129 4.480 4.350 0.001 0.000 0.253 464 T C 1.517 175.876 174.700 -0.568 0.000 1.134 464 T CA 0.713 62.551 62.100 -0.437 0.000 1.051 464 T CB -0.065 68.578 68.868 -0.376 0.000 0.959 464 T HN 0.532 nan 8.240 nan 0.000 0.525 465 R N -1.105 119.095 120.500 -0.500 0.000 2.437 465 R HA 0.244 4.584 4.340 0.001 0.000 0.184 465 R C -0.585 175.517 176.300 -0.331 0.000 0.850 465 R CA 0.018 55.639 56.100 -0.798 0.000 1.073 465 R CB 0.545 30.157 30.300 -1.147 0.000 1.336 465 R HN 0.332 nan 8.270 nan 0.000 0.640 466 Y N 2.564 122.813 120.300 -0.084 0.000 2.385 466 Y HA 0.375 4.926 4.550 0.001 0.000 0.341 466 Y C -2.306 173.459 175.900 -0.226 0.000 0.965 466 Y CA -3.948 54.061 58.100 -0.152 0.000 1.180 466 Y CB 0.469 38.868 38.460 -0.101 0.000 1.139 466 Y HN -0.056 nan 8.280 nan 0.000 0.502 467 P HA 0.047 nan 4.420 nan 0.000 0.271 467 P C -0.008 177.243 177.300 -0.082 0.000 1.216 467 P CA 0.174 63.055 63.100 -0.365 0.000 0.776 467 P CB 0.420 31.853 31.700 -0.445 0.000 0.881 468 N N -0.512 118.182 118.700 -0.009 0.000 2.708 468 N HA -0.215 4.525 4.740 0.001 0.000 0.251 468 N C -0.186 175.329 175.510 0.009 0.000 1.123 468 N CA -0.170 52.882 53.050 0.005 0.000 0.739 468 N CB -0.983 37.496 38.487 -0.013 0.000 1.113 468 N HN 0.436 nan 8.380 nan 0.000 0.561 469 L N 0.917 122.159 121.223 0.031 0.000 2.628 469 L HA -0.071 4.269 4.340 0.001 0.000 0.292 469 L C 0.473 177.356 176.870 0.022 0.000 1.250 469 L CA 0.621 55.482 54.840 0.036 0.000 0.892 469 L CB 0.280 42.381 42.059 0.071 0.000 1.138 469 L HN 0.171 nan 8.230 nan 0.000 0.502 470 N N 4.612 123.319 118.700 0.012 0.000 2.626 470 N HA 0.209 4.950 4.740 0.001 0.000 0.249 470 N C 0.313 175.842 175.510 0.031 0.000 1.021 470 N CA -0.382 52.678 53.050 0.017 0.000 0.886 470 N CB 0.883 39.372 38.487 0.004 0.000 1.149 470 N HN 0.672 nan 8.380 nan 0.000 0.517 471 L N 1.637 122.890 121.223 0.052 0.000 2.549 471 L HA 0.077 4.417 4.340 0.001 0.000 0.229 471 L C 1.267 178.178 176.870 0.068 0.000 1.158 471 L CA 0.612 55.499 54.840 0.078 0.000 0.842 471 L CB 0.046 42.170 42.059 0.109 0.000 0.952 471 L HN 0.352 nan 8.230 nan 0.000 0.452 472 R N -0.784 119.744 120.500 0.047 0.000 2.613 472 R HA 0.283 4.623 4.340 0.001 0.000 0.361 472 R C 1.579 177.896 176.300 0.029 0.000 1.072 472 R CA 0.494 56.618 56.100 0.039 0.000 1.089 472 R CB 0.319 30.639 30.300 0.034 0.000 1.343 472 R HN 0.093 nan 8.270 nan 0.000 0.571 473 A N 0.826 123.661 122.820 0.025 0.000 2.019 473 A HA -0.011 4.310 4.320 0.001 0.000 0.219 473 A C 1.010 178.605 177.584 0.018 0.000 1.164 473 A CA 0.963 53.008 52.037 0.013 0.000 0.644 473 A CB 0.296 19.296 19.000 -0.001 0.000 0.805 473 A HN 0.024 nan 8.150 nan 0.000 0.449 474 V N 1.257 121.189 119.914 0.031 0.000 2.407 474 V HA 0.356 4.477 4.120 0.001 0.000 0.291 474 V C 0.253 176.369 176.094 0.037 0.000 1.018 474 V CA -0.318 62.003 62.300 0.035 0.000 0.842 474 V CB 1.142 32.993 31.823 0.047 0.000 0.996 474 V HN 0.454 nan 8.190 nan 0.000 0.426 475 T N 2.981 117.553 114.554 0.030 0.000 2.913 475 T HA 0.280 4.631 4.350 0.001 0.000 0.297 475 T C -1.277 173.442 174.700 0.031 0.000 1.029 475 T CA -1.664 60.453 62.100 0.029 0.000 1.104 475 T CB 1.422 70.304 68.868 0.023 0.000 0.964 475 T HN 0.517 nan 8.240 nan 0.000 0.532 476 P HA -0.063 nan 4.420 nan 0.000 0.231 476 P C 0.736 178.053 177.300 0.029 0.000 1.158 476 P CA 0.787 63.903 63.100 0.026 0.000 0.763 476 P CB -0.056 31.653 31.700 0.015 0.000 0.805 477 N N -0.239 118.477 118.700 0.027 0.000 2.422 477 N HA -0.005 4.735 4.740 0.001 0.000 0.181 477 N C 1.520 177.047 175.510 0.029 0.000 1.080 477 N CA 0.293 53.360 53.050 0.028 0.000 0.893 477 N CB 0.051 38.551 38.487 0.023 0.000 0.973 477 N HN 0.365 nan 8.380 nan 0.000 0.456 478 Q N 0.470 120.287 119.800 0.029 0.000 2.424 478 Q HA 0.035 4.375 4.340 0.001 0.000 0.204 478 Q C 1.485 177.505 176.000 0.033 0.000 0.933 478 Q CA 0.551 56.371 55.803 0.029 0.000 0.929 478 Q CB 0.557 29.311 28.738 0.028 0.000 1.037 478 Q HN 0.238 nan 8.270 nan 0.000 0.511 479 V N -3.123 116.814 119.914 0.038 0.000 3.176 479 V HA 0.128 4.249 4.120 0.001 0.000 0.332 479 V C 1.419 177.544 176.094 0.053 0.000 1.414 479 V CA -0.259 62.065 62.300 0.041 0.000 1.133 479 V CB 0.387 32.237 31.823 0.045 0.000 1.088 479 V HN 0.046 nan 8.190 nan 0.000 0.473 480 Q N 3.307 123.139 119.800 0.054 0.000 2.224 480 Q HA -0.275 4.065 4.340 0.001 0.000 0.213 480 Q C 1.505 177.553 176.000 0.081 0.000 0.998 480 Q CA 2.684 58.531 55.803 0.072 0.000 0.895 480 Q CB -0.251 28.518 28.738 0.052 0.000 0.926 480 Q HN 1.096 nan 8.270 nan 0.000 0.417 481 D N -1.488 118.938 120.400 0.044 0.000 2.368 481 D HA 0.070 4.710 4.640 0.001 0.000 0.218 481 D C 1.340 177.639 176.300 -0.002 0.000 1.112 481 D CA -0.023 53.987 54.000 0.017 0.000 0.834 481 D CB -0.261 40.538 40.800 -0.002 0.000 0.953 481 D HN 0.154 nan 8.370 nan 0.000 0.505 482 L N -0.814 120.421 121.223 0.019 0.000 2.446 482 L HA 0.131 4.471 4.340 0.001 0.000 0.219 482 L C 0.118 177.020 176.870 0.053 0.000 1.116 482 L CA 0.039 54.866 54.840 -0.022 0.000 0.844 482 L CB -0.150 41.889 42.059 -0.032 0.000 0.970 482 L HN 0.144 nan 8.230 nan 0.000 0.457 483 Y N 1.513 121.789 120.300 -0.039 0.000 2.350 483 Y HA 0.164 4.715 4.550 0.001 0.000 0.340 483 Y C -0.108 175.783 175.900 -0.015 0.000 1.006 483 Y CA -1.489 56.603 58.100 -0.013 0.000 1.166 483 Y CB 0.426 38.896 38.460 0.017 0.000 1.168 483 Y HN -0.086 nan 8.280 nan 0.000 0.502 484 D N 8.153 128.412 120.400 -0.235 0.000 2.514 484 D HA 0.152 4.793 4.640 0.001 0.000 0.267 484 D C -0.600 175.487 176.300 -0.354 0.000 1.165 484 D CA -0.276 53.576 54.000 -0.246 0.000 0.958 484 D CB 0.106 40.838 40.800 -0.114 0.000 0.992 484 D HN 0.641 nan 8.370 nan 0.000 0.506 485 M N 2.994 122.272 119.600 -0.536 0.000 2.522 485 M HA 0.110 4.591 4.480 0.001 0.000 0.333 485 M C 1.389 177.572 176.300 -0.194 0.000 1.632 485 M CA 0.163 55.227 55.300 -0.393 0.000 1.293 485 M CB 0.766 33.141 32.600 -0.374 0.000 1.857 485 M HN 0.100 nan 8.290 nan 0.000 0.456 486 M N 1.452 120.974 119.600 -0.131 0.000 2.492 486 M HA -0.066 4.414 4.480 0.001 0.000 0.262 486 M C -0.115 176.112 176.300 -0.121 0.000 1.090 486 M CA 1.031 56.272 55.300 -0.097 0.000 1.110 486 M CB -0.033 32.534 32.600 -0.055 0.000 1.407 486 M HN 0.687 nan 8.290 nan 0.000 0.470 487 D N 0.000 120.318 120.400 -0.137 0.000 6.856 487 D HA 0.000 4.640 4.640 0.001 0.000 0.175 487 D CA 0.000 53.929 54.000 -0.118 0.000 0.868 487 D CB 0.000 40.698 40.800 -0.169 0.000 0.688 487 D HN 0.000 nan 8.370 nan 0.000 0.683