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 2bry_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 EISGXXXXYN 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 DKE 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 0.000 174.688 174.700 -0.020 0.000 1.109 7 T CA 0.000 62.112 62.100 0.020 0.000 1.349 7 T CB 0.000 68.883 68.868 0.025 0.000 0.612 8 N N 1.961 120.641 118.700 -0.034 0.000 2.576 8 N HA 0.415 5.155 4.740 0.001 0.000 0.269 8 N C -2.267 173.196 175.510 -0.079 0.000 1.058 8 N CA -2.011 50.952 53.050 -0.144 0.000 0.860 8 N CB 2.083 40.334 38.487 -0.395 0.000 1.249 8 N HN 0.308 nan 8.380 nan 0.000 0.525 9 P HA -0.101 nan 4.420 nan 0.000 0.216 9 P C 1.017 178.411 177.300 0.157 0.000 1.153 9 P CA 1.335 64.473 63.100 0.062 0.000 0.858 9 P CB 0.376 32.139 31.700 0.106 0.000 0.789 10 A N -0.972 121.879 122.820 0.053 0.000 1.902 10 A HA -0.249 4.071 4.320 0.001 0.000 0.217 10 A C 2.050 179.760 177.584 0.210 0.000 1.181 10 A CA 1.613 53.708 52.037 0.098 0.000 0.623 10 A CB -1.811 17.171 19.000 -0.030 0.000 0.818 10 A HN 0.297 nan 8.150 nan 0.000 0.443 11 H N -0.709 118.341 119.070 -0.033 0.000 2.353 11 H HA -0.120 4.437 4.556 0.001 0.000 0.300 11 H C 1.634 177.070 175.328 0.181 0.000 1.090 11 H CA 0.805 56.848 56.048 -0.008 0.000 1.327 11 H CB 0.038 29.710 29.762 -0.149 0.000 1.383 11 H HN 0.431 nan 8.280 nan 0.000 0.508 12 D N -0.011 120.517 120.400 0.213 0.000 2.104 12 D HA -0.148 4.492 4.640 0.001 0.000 0.194 12 D C 2.094 178.417 176.300 0.039 0.000 0.994 12 D CA 1.199 55.242 54.000 0.073 0.000 0.830 12 D CB -0.400 40.337 40.800 -0.106 0.000 0.959 12 D HN 0.532 nan 8.370 nan 0.000 0.452 13 H N -0.888 118.294 119.070 0.185 0.000 2.389 13 H HA -0.070 4.487 4.556 0.001 0.000 0.299 13 H C 2.087 177.576 175.328 0.269 0.000 1.081 13 H CA 0.639 56.794 56.048 0.180 0.000 1.345 13 H CB -0.525 29.302 29.762 0.108 0.000 1.393 13 H HN 0.160 nan 8.280 nan 0.000 0.520 14 F N 2.287 122.416 119.950 0.299 0.000 2.095 14 F HA -0.182 4.345 4.527 0.001 0.000 0.298 14 F C 2.226 178.229 175.800 0.338 0.000 1.104 14 F CA 1.552 59.752 58.000 0.333 0.000 1.232 14 F CB -0.083 39.112 39.000 0.325 0.000 0.987 14 F HN 0.059 nan 8.300 nan 0.000 0.475 15 E N -0.587 119.771 120.200 0.263 0.000 2.110 15 E HA -0.200 4.150 4.350 0.001 0.000 0.193 15 E C 2.218 178.855 176.600 0.061 0.000 0.988 15 E CA 1.960 58.420 56.400 0.100 0.000 0.804 15 E CB -0.380 29.444 29.700 0.207 0.000 0.745 15 E HN 0.593 nan 8.360 nan 0.000 0.458 16 T N -0.561 114.066 114.554 0.122 0.000 2.777 16 T HA -0.196 4.154 4.350 0.001 0.000 0.266 16 T C 1.779 176.551 174.700 0.121 0.000 1.040 16 T CA 0.881 63.048 62.100 0.110 0.000 1.141 16 T CB -0.533 68.406 68.868 0.118 0.000 0.868 16 T HN 0.175 nan 8.240 nan 0.000 0.444 17 F N 2.490 122.441 119.950 0.002 0.000 2.069 17 F HA -0.083 4.445 4.527 0.001 0.000 0.298 17 F C 2.291 178.042 175.800 -0.081 0.000 1.113 17 F CA 1.121 59.115 58.000 -0.011 0.000 1.214 17 F CB -0.738 38.297 39.000 0.059 0.000 0.978 17 F HN -0.001 nan 8.300 nan 0.000 0.474 18 V N 1.535 121.335 119.914 -0.190 0.000 2.282 18 V HA -0.364 3.756 4.120 0.001 0.000 0.249 18 V C 2.354 178.387 176.094 -0.101 0.000 1.057 18 V CA 2.489 64.675 62.300 -0.191 0.000 1.032 18 V CB -1.130 30.527 31.823 -0.277 0.000 0.645 18 V HN 0.641 nan 8.190 nan 0.000 0.447 19 Q N 0.544 120.306 119.800 -0.064 0.000 2.425 19 Q HA 0.265 4.605 4.340 0.001 0.000 0.204 19 Q C 1.035 177.014 176.000 -0.036 0.000 0.933 19 Q CA 0.613 56.404 55.803 -0.020 0.000 0.939 19 Q CB -0.179 28.568 28.738 0.015 0.000 1.044 19 Q HN 0.538 nan 8.270 nan 0.000 0.513 20 A N 1.546 124.318 122.820 -0.080 0.000 2.511 20 A HA 0.019 4.340 4.320 0.001 0.000 0.242 20 A C 0.593 178.125 177.584 -0.087 0.000 1.069 20 A CA -0.053 51.939 52.037 -0.075 0.000 0.763 20 A CB 0.392 19.338 19.000 -0.090 0.000 1.001 20 A HN 0.265 nan 8.150 nan 0.000 0.498 21 Q N 1.013 120.779 119.800 -0.056 0.000 2.189 21 Q HA 0.325 4.666 4.340 0.001 0.000 0.223 21 Q C -0.709 175.261 176.000 -0.049 0.000 0.828 21 Q CA 0.447 56.223 55.803 -0.045 0.000 0.967 21 Q CB 0.510 29.241 28.738 -0.012 0.000 1.139 21 Q HN 0.727 nan 8.270 nan 0.000 0.497 22 L N -0.704 120.472 121.223 -0.077 0.000 2.381 22 L HA 0.332 4.673 4.340 0.001 0.000 0.268 22 L C 1.113 177.861 176.870 -0.204 0.000 0.997 22 L CA -0.617 54.152 54.840 -0.117 0.000 0.818 22 L CB 2.089 44.087 42.059 -0.101 0.000 1.310 22 L HN -0.018 nan 8.230 nan 0.000 0.416 23 C N 1.044 120.134 119.300 -0.351 0.000 2.385 23 C HA -0.217 4.243 4.460 0.001 0.000 0.275 23 C C 2.585 177.291 174.990 -0.474 0.000 1.207 23 C CA 1.545 60.210 59.018 -0.589 0.000 1.760 23 C CB -0.307 26.785 27.740 -1.080 0.000 2.051 23 C HN 1.018 nan 8.230 nan 0.000 0.467 24 Q N 0.379 119.951 119.800 -0.380 0.000 2.170 24 Q HA -0.128 4.212 4.340 0.001 0.000 0.203 24 Q C 1.658 177.564 176.000 -0.158 0.000 0.976 24 Q CA 2.097 57.733 55.803 -0.279 0.000 0.858 24 Q CB -0.299 28.314 28.738 -0.208 0.000 0.907 24 Q HN 0.681 nan 8.270 nan 0.000 0.433 25 D N -1.373 118.954 120.400 -0.122 0.000 2.162 25 D HA -0.082 4.559 4.640 0.001 0.000 0.203 25 D C 1.784 178.088 176.300 0.006 0.000 0.967 25 D CA 0.778 54.753 54.000 -0.041 0.000 0.840 25 D CB -0.056 40.724 40.800 -0.034 0.000 0.972 25 D HN 0.110 nan 8.370 nan 0.000 0.482 26 V N 1.237 121.119 119.914 -0.052 0.000 2.295 26 V HA -0.220 3.901 4.120 0.001 0.000 0.246 26 V C 2.623 178.819 176.094 0.171 0.000 1.049 26 V CA 1.243 63.557 62.300 0.024 0.000 1.024 26 V CB -0.546 31.209 31.823 -0.114 0.000 0.648 26 V HN 0.187 nan 8.190 nan 0.000 0.447 27 L N 0.829 122.065 121.223 0.021 0.000 2.056 27 L HA -0.149 4.192 4.340 0.001 0.000 0.207 27 L C 2.756 179.697 176.870 0.119 0.000 1.078 27 L CA 1.889 56.773 54.840 0.072 0.000 0.749 27 L CB -0.839 41.161 42.059 -0.098 0.000 0.901 27 L HN 0.557 nan 8.230 nan 0.000 0.433 28 S N -0.511 115.225 115.700 0.060 0.000 2.371 28 S HA -0.168 4.303 4.470 0.001 0.000 0.224 28 S C 2.196 176.859 174.600 0.104 0.000 1.029 28 S CA 1.038 59.272 58.200 0.057 0.000 0.978 28 S CB -0.637 62.580 63.200 0.029 0.000 0.833 28 S HN 0.521 nan 8.310 nan 0.000 0.466 29 S N 1.179 116.993 115.700 0.190 0.000 2.382 29 S HA -0.069 4.401 4.470 0.001 0.000 0.228 29 S C 1.627 176.362 174.600 0.225 0.000 1.027 29 S CA 0.878 59.245 58.200 0.279 0.000 0.991 29 S CB -1.050 62.357 63.200 0.345 0.000 0.823 29 S HN 0.445 nan 8.310 nan 0.000 0.469 30 F N 2.660 122.671 119.950 0.101 0.000 2.134 30 F HA 0.003 4.530 4.527 0.001 0.000 0.299 30 F C 2.686 178.426 175.800 -0.100 0.000 1.097 30 F CA 1.487 59.434 58.000 -0.090 0.000 1.264 30 F CB -0.529 38.443 39.000 -0.046 0.000 1.001 30 F HN 0.130 nan 8.300 nan 0.000 0.479 31 Q N 0.135 119.888 119.800 -0.077 0.000 2.084 31 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 31 Q C 2.599 178.424 176.000 -0.292 0.000 0.978 31 Q CA 1.468 57.160 55.803 -0.184 0.000 0.844 31 Q CB -1.445 27.249 28.738 -0.073 0.000 0.898 31 Q HN 0.521 nan 8.270 nan 0.000 0.426 32 G N 0.949 109.543 108.800 -0.343 0.000 2.422 32 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 32 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 32 G C 1.500 175.987 174.900 -0.689 0.000 1.146 32 G CA 0.839 45.496 45.100 -0.738 0.000 0.769 32 G HN 0.341 nan 8.290 nan 0.000 0.547 33 L N 0.629 121.602 121.223 -0.416 0.000 2.046 33 L HA -0.032 4.309 4.340 0.001 0.000 0.208 33 L C 2.803 179.477 176.870 -0.326 0.000 1.077 33 L CA 1.657 56.353 54.840 -0.240 0.000 0.747 33 L CB -0.819 41.144 42.059 -0.160 0.000 0.896 33 L HN 0.255 nan 8.230 nan 0.000 0.432 34 C N -0.268 118.742 119.300 -0.484 0.000 2.432 34 C HA -0.132 4.328 4.460 0.001 0.000 0.277 34 C C 2.775 177.613 174.990 -0.253 0.000 1.249 34 C CA 0.885 59.658 59.018 -0.407 0.000 1.725 34 C CB -1.064 26.405 27.740 -0.452 0.000 2.028 34 C HN 0.516 nan 8.230 nan 0.000 0.477 35 R N 1.063 121.418 120.500 -0.240 0.000 2.096 35 R HA -0.173 4.168 4.340 0.001 0.000 0.240 35 R C 2.355 178.571 176.300 -0.140 0.000 1.139 35 R CA 1.821 57.819 56.100 -0.171 0.000 0.952 35 R CB -0.603 29.595 30.300 -0.171 0.000 0.854 35 R HN 0.575 nan 8.270 nan 0.000 0.436 36 A N 0.699 123.431 122.820 -0.147 0.000 2.015 36 A HA -0.064 4.256 4.320 0.001 0.000 0.219 36 A C 1.919 179.448 177.584 -0.092 0.000 1.163 36 A CA 1.060 53.045 52.037 -0.087 0.000 0.646 36 A CB -0.160 18.824 19.000 -0.027 0.000 0.806 36 A HN 0.202 nan 8.150 nan 0.000 0.448 37 L N -1.555 119.598 121.223 -0.116 0.000 2.640 37 L HA 0.260 4.600 4.340 0.001 0.000 0.230 37 L C 1.406 178.211 176.870 -0.108 0.000 1.123 37 L CA 0.422 55.195 54.840 -0.112 0.000 0.900 37 L CB 0.022 42.007 42.059 -0.123 0.000 1.146 37 L HN 0.543 nan 8.230 nan 0.000 0.484 38 G N 1.408 110.144 108.800 -0.106 0.000 2.160 38 G HA2 -0.232 3.729 3.960 0.001 0.000 0.244 38 G HA3 -0.232 3.729 3.960 0.001 0.000 0.244 38 G C 0.087 174.932 174.900 -0.092 0.000 1.022 38 G CA 0.365 45.412 45.100 -0.089 0.000 0.741 38 G HN 0.278 nan 8.290 nan 0.000 0.508 39 V N -5.089 114.756 119.914 -0.116 0.000 3.182 39 V HA 1.026 5.147 4.120 0.001 0.000 0.311 39 V C -0.327 175.697 176.094 -0.117 0.000 1.221 39 V CA -1.349 60.885 62.300 -0.110 0.000 1.060 39 V CB 2.159 33.909 31.823 -0.122 0.000 1.164 39 V HN 0.160 nan 8.190 nan 0.000 0.466 40 E N 0.964 121.110 120.200 -0.090 0.000 2.277 40 E HA 0.503 4.854 4.350 0.001 0.000 0.266 40 E C -0.581 175.992 176.600 -0.046 0.000 0.901 40 E CA -0.380 55.975 56.400 -0.074 0.000 0.782 40 E CB 2.042 31.721 29.700 -0.035 0.000 1.228 40 E HN 1.016 nan 8.360 nan 0.000 0.424 41 S N -0.644 115.046 115.700 -0.017 0.000 2.593 41 S HA 0.445 4.916 4.470 0.001 0.000 0.269 41 S C 1.057 175.716 174.600 0.098 0.000 1.334 41 S CA 0.175 58.468 58.200 0.155 0.000 1.015 41 S CB 0.844 64.203 63.200 0.264 0.000 0.912 41 S HN 0.877 nan 8.310 nan 0.000 0.541 42 G N 0.579 109.445 108.800 0.110 0.000 2.198 42 G HA2 -0.119 3.841 3.960 0.001 0.000 0.260 42 G HA3 -0.119 3.841 3.960 0.001 0.000 0.260 42 G C 0.566 175.477 174.900 0.019 0.000 1.025 42 G CA 0.108 45.223 45.100 0.025 0.000 0.769 42 G HN 1.604 nan 8.290 nan 0.000 0.507 43 G N -0.777 108.043 108.800 0.033 0.000 3.575 43 G HA2 0.632 4.593 3.960 0.001 0.000 0.273 43 G HA3 0.632 4.593 3.960 0.001 0.000 0.273 43 G C 1.201 176.103 174.900 0.003 0.000 1.053 43 G CA 1.296 46.406 45.100 0.015 0.000 0.803 43 G HN 1.981 nan 8.290 nan 0.000 0.528 44 G N -0.017 108.784 108.800 0.001 0.000 2.693 44 G HA2 -0.252 3.708 3.960 0.001 0.000 0.226 44 G HA3 -0.252 3.708 3.960 0.001 0.000 0.226 44 G C 0.849 175.718 174.900 -0.052 0.000 1.354 44 G CA -0.178 44.908 45.100 -0.022 0.000 0.873 44 G HN 0.421 nan 8.290 nan 0.000 0.562 45 L N 1.180 122.339 121.223 -0.106 0.000 2.275 45 L HA -0.031 4.310 4.340 0.001 0.000 0.215 45 L C 3.225 179.800 176.870 -0.492 0.000 1.119 45 L CA 1.974 56.673 54.840 -0.235 0.000 0.790 45 L CB -0.570 41.349 42.059 -0.233 0.000 0.919 45 L HN 0.830 nan 8.230 nan 0.000 0.443 46 S N -0.786 114.754 115.700 -0.265 0.000 2.382 46 S HA -0.193 4.277 4.470 0.001 0.000 0.228 46 S C 1.910 176.428 174.600 -0.136 0.000 1.027 46 S CA 0.650 58.737 58.200 -0.188 0.000 0.991 46 S CB -0.190 62.974 63.200 -0.060 0.000 0.823 46 S HN 0.395 nan 8.310 nan 0.000 0.469 47 Q N 0.274 120.022 119.800 -0.087 0.000 2.083 47 Q HA -0.014 4.326 4.340 0.001 0.000 0.198 47 Q C 1.933 177.915 176.000 -0.030 0.000 0.969 47 Q CA 1.446 57.223 55.803 -0.044 0.000 0.838 47 Q CB -0.955 27.782 28.738 -0.002 0.000 0.900 47 Q HN 0.784 nan 8.270 nan 0.000 0.436 48 Y N 1.635 121.854 120.300 -0.135 0.000 2.114 48 Y HA -0.287 4.264 4.550 0.001 0.000 0.282 48 Y C 2.002 177.830 175.900 -0.121 0.000 1.165 48 Y CA 2.042 60.071 58.100 -0.118 0.000 1.148 48 Y CB -0.625 37.771 38.460 -0.107 0.000 0.972 48 Y HN 0.335 nan 8.280 nan 0.000 0.504 49 H N -0.577 118.290 119.070 -0.339 0.000 2.387 49 H HA -0.112 4.445 4.556 0.001 0.000 0.299 49 H C 2.065 177.157 175.328 -0.394 0.000 1.090 49 H CA 1.297 57.081 56.048 -0.440 0.000 1.332 49 H CB 0.034 29.671 29.762 -0.209 0.000 1.386 49 H HN 0.315 nan 8.280 nan 0.000 0.516 50 K N 0.438 120.748 120.400 -0.150 0.000 2.103 50 K HA -0.048 4.273 4.320 0.001 0.000 0.204 50 K C 2.038 178.503 176.600 -0.226 0.000 1.052 50 K CA 0.846 57.038 56.287 -0.159 0.000 0.945 50 K CB 0.154 32.590 32.500 -0.105 0.000 0.722 50 K HN 0.229 nan 8.250 nan 0.000 0.443 51 I N 2.172 122.583 120.570 -0.264 0.000 2.163 51 I HA -0.314 3.856 4.170 0.001 0.000 0.240 51 I C 2.496 178.310 176.117 -0.505 0.000 1.081 51 I CA 1.393 62.524 61.300 -0.282 0.000 1.353 51 I CB -0.253 37.649 38.000 -0.164 0.000 1.054 51 I HN 0.164 nan 8.210 nan 0.000 0.407 52 K N 1.735 121.589 120.400 -0.910 0.000 2.148 52 K HA -0.072 4.249 4.320 0.001 0.000 0.204 52 K C 2.086 178.220 176.600 -0.777 0.000 1.050 52 K CA 1.410 56.804 56.287 -1.488 0.000 0.942 52 K CB -0.372 30.910 32.500 -2.029 0.000 0.724 52 K HN 0.231 nan 8.250 nan 0.000 0.446 53 A N 1.580 124.105 122.820 -0.492 0.000 1.972 53 A HA -0.142 4.179 4.320 0.001 0.000 0.219 53 A C 1.851 179.327 177.584 -0.180 0.000 1.169 53 A CA 1.287 53.157 52.037 -0.277 0.000 0.635 53 A CB -0.337 18.535 19.000 -0.214 0.000 0.810 53 A HN 0.522 nan 8.150 nan 0.000 0.446 54 Q N -1.212 118.475 119.800 -0.187 0.000 2.360 54 Q HA 0.307 4.647 4.340 0.001 0.000 0.202 54 Q C -0.079 175.888 176.000 -0.056 0.000 0.915 54 Q CA 0.140 55.875 55.803 -0.113 0.000 0.943 54 Q CB 0.287 28.953 28.738 -0.120 0.000 1.064 54 Q HN 0.574 nan 8.270 nan 0.000 0.511 55 L N 1.054 122.263 121.223 -0.023 0.000 3.083 55 L HA 0.263 4.603 4.340 0.001 0.000 0.286 55 L C -0.135 176.962 176.870 0.380 0.000 1.307 55 L CA -0.470 54.473 54.840 0.171 0.000 0.897 55 L CB 0.325 42.506 42.059 0.204 0.000 1.306 55 L HN -0.009 nan 8.230 nan 0.000 0.569 56 N N 2.194 121.028 118.700 0.223 0.000 2.895 56 N HA 0.133 4.873 4.740 0.001 0.000 0.277 56 N C -0.789 174.872 175.510 0.250 0.000 1.185 56 N CA 0.011 53.195 53.050 0.224 0.000 1.106 56 N CB -0.142 38.417 38.487 0.119 0.000 1.422 56 N HN 0.414 nan 8.380 nan 0.000 0.521 57 Y N -0.095 120.174 120.300 -0.052 0.000 2.705 57 Y HA 0.311 4.861 4.550 0.001 0.000 0.332 57 Y C 1.209 176.982 175.900 -0.212 0.000 1.221 57 Y CA -1.393 56.634 58.100 -0.121 0.000 1.059 57 Y CB 0.164 38.472 38.460 -0.252 0.000 1.298 57 Y HN 0.063 nan 8.280 nan 0.000 0.459 58 W N 0.222 121.301 121.300 -0.369 0.000 2.305 58 W HA -0.210 4.450 4.660 0.001 0.000 0.308 58 W C 1.420 177.601 176.519 -0.563 0.000 1.226 58 W CA 2.136 59.255 57.345 -0.377 0.000 1.253 58 W CB -1.461 27.878 29.460 -0.203 0.000 1.146 58 W HN 0.597 nan 8.180 nan 0.000 0.507 59 S N 0.956 115.360 115.700 -2.160 0.000 2.436 59 S HA 0.172 4.642 4.470 0.001 0.000 0.228 59 S C 1.899 176.028 174.600 -0.785 0.000 1.014 59 S CA 1.515 58.744 58.200 -1.619 0.000 0.950 59 S CB -0.362 61.675 63.200 -1.939 0.000 0.784 59 S HN 0.363 nan 8.310 nan 0.000 0.504 60 A N 0.091 122.330 122.820 -0.969 0.000 2.211 60 A HA 0.395 4.715 4.320 0.001 0.000 0.208 60 A C 1.766 178.791 177.584 -0.931 0.000 1.250 60 A CA 0.182 51.673 52.037 -0.910 0.000 0.935 60 A CB -0.284 18.046 19.000 -1.117 0.000 0.982 60 A HN 0.418 nan 8.150 nan 0.000 0.490 61 K N 1.200 121.295 120.400 -0.509 0.000 2.059 61 K HA -0.220 4.100 4.320 0.001 0.000 0.212 61 K C 2.243 178.703 176.600 -0.234 0.000 1.050 61 K CA 2.203 58.351 56.287 -0.231 0.000 0.927 61 K CB -0.138 32.303 32.500 -0.098 0.000 0.714 61 K HN 0.588 nan 8.250 nan 0.000 0.447 62 S N 0.619 116.166 115.700 -0.255 0.000 2.402 62 S HA -0.155 4.315 4.470 0.001 0.000 0.229 62 S C 1.966 176.441 174.600 -0.209 0.000 1.021 62 S CA 1.013 59.106 58.200 -0.178 0.000 0.974 62 S CB -0.358 62.746 63.200 -0.158 0.000 0.800 62 S HN 0.341 nan 8.310 nan 0.000 0.484 63 L N 0.890 121.877 121.223 -0.393 0.000 2.027 63 L HA 0.170 4.510 4.340 0.001 0.000 0.206 63 L C 2.219 179.030 176.870 -0.098 0.000 1.074 63 L CA 1.554 56.172 54.840 -0.371 0.000 0.745 63 L CB -1.011 40.678 42.059 -0.616 0.000 0.898 63 L HN 0.490 nan 8.230 nan 0.000 0.433 64 W N -0.625 120.719 121.300 0.073 0.000 2.363 64 W HA -0.105 4.555 4.660 0.001 0.000 0.296 64 W C 2.507 179.081 176.519 0.092 0.000 1.212 64 W CA 0.401 57.817 57.345 0.119 0.000 1.260 64 W CB -0.644 28.840 29.460 0.040 0.000 1.131 64 W HN 0.264 nan 8.180 nan 0.000 0.530 65 A N 1.360 124.308 122.820 0.213 0.000 1.883 65 A HA -0.246 4.074 4.320 0.001 0.000 0.217 65 A C 1.913 179.566 177.584 0.115 0.000 1.186 65 A CA 2.102 54.218 52.037 0.132 0.000 0.624 65 A CB -0.739 18.296 19.000 0.059 0.000 0.822 65 A HN 0.295 nan 8.150 nan 0.000 0.444 66 K N -0.500 119.946 120.400 0.078 0.000 2.002 66 K HA -0.026 4.294 4.320 0.001 0.000 0.209 66 K C 1.955 178.619 176.600 0.107 0.000 1.048 66 K CA 1.468 57.790 56.287 0.059 0.000 0.930 66 K CB -0.427 32.073 32.500 -0.001 0.000 0.714 66 K HN 0.457 nan 8.250 nan 0.000 0.438 67 L N 1.194 122.519 121.223 0.170 0.000 2.083 67 L HA -0.219 4.121 4.340 0.001 0.000 0.209 67 L C 1.837 178.819 176.870 0.186 0.000 1.083 67 L CA 1.094 56.039 54.840 0.175 0.000 0.752 67 L CB -0.496 41.722 42.059 0.264 0.000 0.899 67 L HN 0.202 nan 8.230 nan 0.000 0.433 68 D N -0.082 120.476 120.400 0.262 0.000 2.178 68 D HA -0.173 4.467 4.640 0.001 0.000 0.202 68 D C 2.081 178.469 176.300 0.147 0.000 0.974 68 D CA 0.963 55.095 54.000 0.219 0.000 0.841 68 D CB 0.013 40.932 40.800 0.199 0.000 0.953 68 D HN 0.228 nan 8.370 nan 0.000 0.478 69 K N 0.734 121.211 120.400 0.129 0.000 2.026 69 K HA -0.158 4.162 4.320 0.001 0.000 0.208 69 K C 2.193 178.868 176.600 0.124 0.000 1.048 69 K CA 1.017 57.369 56.287 0.109 0.000 0.929 69 K CB 0.132 32.687 32.500 0.091 0.000 0.713 69 K HN -0.108 nan 8.250 nan 0.000 0.439 70 R N 0.175 120.746 120.500 0.119 0.000 2.073 70 R HA -0.104 4.237 4.340 0.001 0.000 0.234 70 R C 2.062 178.471 176.300 0.181 0.000 1.134 70 R CA 1.609 57.797 56.100 0.147 0.000 0.952 70 R CB -0.417 29.936 30.300 0.088 0.000 0.850 70 R HN 0.293 nan 8.270 nan 0.000 0.433 71 A N -0.475 122.388 122.820 0.071 0.000 2.019 71 A HA -0.086 4.234 4.320 0.001 0.000 0.219 71 A C 2.006 179.705 177.584 0.193 0.000 1.164 71 A CA 1.783 53.823 52.037 0.006 0.000 0.644 71 A CB -0.324 18.698 19.000 0.038 0.000 0.805 71 A HN 0.406 nan 8.150 nan 0.000 0.449 72 S N -0.085 115.729 115.700 0.189 0.000 2.603 72 S HA 0.033 4.504 4.470 0.001 0.000 0.220 72 S C 0.678 175.386 174.600 0.179 0.000 0.967 72 S CA -0.091 58.209 58.200 0.167 0.000 0.920 72 S CB -0.113 63.155 63.200 0.113 0.000 0.773 72 S HN 0.690 nan 8.310 nan 0.000 0.529 73 Q N 1.389 121.336 119.800 0.245 0.000 2.330 73 Q HA 0.051 4.391 4.340 0.001 0.000 0.279 73 Q C -1.693 174.342 176.000 0.058 0.000 1.024 73 Q CA -1.359 54.518 55.803 0.123 0.000 0.900 73 Q CB 0.280 29.060 28.738 0.070 0.000 1.221 73 Q HN 0.076 nan 8.270 nan 0.000 0.396 74 P HA -0.215 nan 4.420 nan 0.000 0.217 74 P C 1.277 178.557 177.300 -0.033 0.000 1.148 74 P CA 0.823 63.926 63.100 0.006 0.000 0.828 74 P CB 0.124 31.826 31.700 0.003 0.000 0.783 75 V N -1.404 118.425 119.914 -0.141 0.000 2.568 75 V HA -0.260 3.860 4.120 0.001 0.000 0.253 75 V C 1.620 177.599 176.094 -0.192 0.000 1.072 75 V CA 1.891 64.084 62.300 -0.179 0.000 1.084 75 V CB -1.148 30.535 31.823 -0.234 0.000 0.676 75 V HN 0.069 nan 8.190 nan 0.000 0.469 76 Y N 0.184 120.516 120.300 0.053 0.000 2.544 76 Y HA 0.201 4.752 4.550 0.001 0.000 0.286 76 Y C 1.639 177.560 175.900 0.035 0.000 1.141 76 Y CA 0.095 58.219 58.100 0.040 0.000 1.299 76 Y CB -0.522 37.965 38.460 0.043 0.000 1.030 76 Y HN 0.405 nan 8.280 nan 0.000 0.543 77 Q N 0.277 120.164 119.800 0.146 0.000 2.453 77 Q HA -0.369 3.972 4.340 0.001 0.000 0.294 77 Q C -0.441 175.629 176.000 0.115 0.000 1.295 77 Q CA 0.632 56.494 55.803 0.098 0.000 0.853 77 Q CB -2.054 26.720 28.738 0.061 0.000 1.193 77 Q HN 0.543 nan 8.270 nan 0.000 0.461 78 Q N -2.772 117.119 119.800 0.151 0.000 2.487 78 Q HA -0.228 4.113 4.340 0.001 0.000 0.279 78 Q C 0.801 176.883 176.000 0.136 0.000 1.228 78 Q CA 2.035 57.919 55.803 0.133 0.000 0.873 78 Q CB -2.129 26.663 28.738 0.091 0.000 1.260 78 Q HN 1.123 nan 8.270 nan 0.000 0.471 79 G N -1.403 107.485 108.800 0.147 0.000 2.143 79 G HA2 -0.338 3.623 3.960 0.001 0.000 0.249 79 G HA3 -0.338 3.623 3.960 0.001 0.000 0.249 79 G C 0.482 175.437 174.900 0.092 0.000 0.981 79 G CA 0.404 45.570 45.100 0.110 0.000 0.665 79 G HN 0.282 nan 8.290 nan 0.000 0.528 80 Q N -0.836 119.019 119.800 0.092 0.000 2.247 80 Q HA 0.522 4.862 4.340 0.001 0.000 0.211 80 Q C 2.456 178.490 176.000 0.056 0.000 0.861 80 Q CA 0.914 56.757 55.803 0.066 0.000 0.949 80 Q CB 0.294 29.065 28.738 0.056 0.000 1.115 80 Q HN 0.791 nan 8.270 nan 0.000 0.507 81 A N -0.157 122.705 122.820 0.070 0.000 1.930 81 A HA -0.101 4.219 4.320 0.001 0.000 0.217 81 A C 1.532 179.136 177.584 0.034 0.000 1.175 81 A CA 1.107 53.170 52.037 0.043 0.000 0.627 81 A CB -0.045 18.986 19.000 0.051 0.000 0.815 81 A HN 0.388 nan 8.150 nan 0.000 0.443 82 C N -1.571 117.762 119.300 0.055 0.000 2.859 82 C HA 0.311 4.772 4.460 0.001 0.000 0.256 82 C C 2.027 177.055 174.990 0.062 0.000 1.660 82 C CA 0.071 59.125 59.018 0.060 0.000 1.755 82 C CB -1.246 26.540 27.740 0.075 0.000 3.127 82 C HN 0.640 nan 8.230 nan 0.000 0.494 83 T N 0.727 115.312 114.554 0.051 0.000 2.929 83 T HA -0.117 4.234 4.350 0.001 0.000 0.271 83 T C 1.067 175.798 174.700 0.052 0.000 1.085 83 T CA 1.762 63.892 62.100 0.050 0.000 1.125 83 T CB -0.393 68.501 68.868 0.043 0.000 0.874 83 T HN 0.718 nan 8.240 nan 0.000 0.494 84 N N 0.167 118.897 118.700 0.049 0.000 2.235 84 N HA 0.137 4.878 4.740 0.001 0.000 0.209 84 N C -0.620 174.936 175.510 0.076 0.000 1.122 84 N CA -0.205 52.876 53.050 0.051 0.000 0.845 84 N CB 0.754 39.258 38.487 0.028 0.000 1.004 84 N HN 0.183 nan 8.380 nan 0.000 0.499 85 T N 0.812 115.424 114.554 0.098 0.000 2.837 85 T HA 0.312 4.662 4.350 0.001 0.000 0.285 85 T C -0.106 174.681 174.700 0.145 0.000 0.984 85 T CA -0.269 61.916 62.100 0.142 0.000 1.049 85 T CB 1.512 70.476 68.868 0.160 0.000 0.947 85 T HN -0.051 nan 8.240 nan 0.000 0.472 86 K N 1.845 122.347 120.400 0.170 0.000 2.323 86 K HA 0.633 4.954 4.320 0.001 0.000 0.259 86 K C -1.113 175.630 176.600 0.238 0.000 0.947 86 K CA -0.647 55.763 56.287 0.205 0.000 0.819 86 K CB 1.439 34.027 32.500 0.146 0.000 1.109 86 K HN 0.563 nan 8.250 nan 0.000 0.429 87 C N 2.619 122.070 119.300 0.253 0.000 2.561 87 C HA 0.582 5.043 4.460 0.001 0.000 0.319 87 C C -1.001 174.051 174.990 0.103 0.000 1.198 87 C CA -0.951 58.142 59.018 0.126 0.000 1.665 87 C CB 0.922 28.682 27.740 0.034 0.000 2.258 87 C HN 0.717 nan 8.230 nan 0.000 0.493 88 L N 2.916 124.018 121.223 -0.202 0.000 2.376 88 L HA 0.779 5.119 4.340 0.001 0.000 0.275 88 L C -0.769 175.875 176.870 -0.377 0.000 0.987 88 L CA -0.028 54.600 54.840 -0.353 0.000 0.828 88 L CB 1.499 43.021 42.059 -0.895 0.000 1.249 88 L HN 0.549 nan 8.230 nan 0.000 0.409 89 V N 5.550 125.286 119.914 -0.297 0.000 2.483 89 V HA 0.537 4.657 4.120 0.001 0.000 0.295 89 V C -0.380 175.501 176.094 -0.354 0.000 1.035 89 V CA -0.714 61.398 62.300 -0.312 0.000 0.896 89 V CB 1.840 33.520 31.823 -0.239 0.000 0.986 89 V HN 0.503 nan 8.190 nan 0.000 0.447 90 V N 3.634 123.287 119.914 -0.435 0.000 2.347 90 V HA 0.893 5.013 4.120 0.001 0.000 0.280 90 V C 0.474 176.343 176.094 -0.377 0.000 1.021 90 V CA 0.202 62.232 62.300 -0.450 0.000 0.847 90 V CB 0.732 32.135 31.823 -0.700 0.000 0.990 90 V HN 1.315 nan 8.190 nan 0.000 0.444 91 G N 4.045 112.678 108.800 -0.278 0.000 3.233 91 G HA2 0.294 4.255 3.960 0.001 0.000 0.686 91 G HA3 0.294 4.255 3.960 0.001 0.000 0.686 91 G C -0.135 174.653 174.900 -0.187 0.000 1.153 91 G CA -0.277 44.697 45.100 -0.211 0.000 0.853 91 G HN 1.475 nan 8.290 nan 0.000 0.582 92 A N 1.778 124.520 122.820 -0.130 0.000 2.833 92 A HA 0.748 5.068 4.320 0.001 0.000 0.293 92 A C 1.476 179.040 177.584 -0.034 0.000 1.338 92 A CA 1.122 53.111 52.037 -0.079 0.000 0.959 92 A CB -0.281 18.693 19.000 -0.043 0.000 1.094 92 A HN 2.151 nan 8.150 nan 0.000 0.569 93 G N -0.005 108.744 108.800 -0.085 0.000 2.653 93 G HA2 0.372 4.333 3.960 0.001 0.000 0.265 93 G HA3 0.372 4.333 3.960 0.001 0.000 0.265 93 G C -1.246 173.566 174.900 -0.147 0.000 1.237 93 G CA -0.916 44.111 45.100 -0.121 0.000 0.946 93 G HN 0.147 nan 8.290 nan 0.000 0.522 94 P HA -0.094 nan 4.420 nan 0.000 0.216 94 P C 1.880 179.182 177.300 0.004 0.000 1.153 94 P CA 1.307 64.368 63.100 -0.066 0.000 0.858 94 P CB 0.097 31.774 31.700 -0.039 0.000 0.789 95 C N -1.341 117.954 119.300 -0.008 0.000 2.466 95 C HA 0.048 4.509 4.460 0.001 0.000 0.278 95 C C 2.970 177.880 174.990 -0.134 0.000 1.288 95 C CA 1.265 60.263 59.018 -0.034 0.000 1.722 95 C CB -1.953 25.772 27.740 -0.026 0.000 2.017 95 C HN 0.284 nan 8.230 nan 0.000 0.488 96 G N 0.578 109.290 108.800 -0.146 0.000 2.422 96 G HA2 -0.135 3.825 3.960 0.001 0.000 0.218 96 G HA3 -0.135 3.825 3.960 0.001 0.000 0.218 96 G C 1.578 176.375 174.900 -0.172 0.000 1.146 96 G CA 0.585 45.580 45.100 -0.175 0.000 0.769 96 G HN 0.522 nan 8.290 nan 0.000 0.547 97 L N -0.408 120.719 121.223 -0.161 0.000 2.027 97 L HA 0.014 4.354 4.340 0.001 0.000 0.206 97 L C 2.893 179.652 176.870 -0.186 0.000 1.074 97 L CA 1.145 55.891 54.840 -0.158 0.000 0.745 97 L CB -0.317 41.657 42.059 -0.142 0.000 0.898 97 L HN 0.127 nan 8.230 nan 0.000 0.433 98 R N 0.691 121.040 120.500 -0.252 0.000 2.091 98 R HA -0.150 4.191 4.340 0.001 0.000 0.238 98 R C 2.253 178.413 176.300 -0.233 0.000 1.136 98 R CA 1.703 57.578 56.100 -0.374 0.000 0.959 98 R CB -0.672 29.088 30.300 -0.900 0.000 0.856 98 R HN 0.325 nan 8.270 nan 0.000 0.437 99 A N 0.108 122.812 122.820 -0.194 0.000 1.908 99 A HA -0.120 4.200 4.320 0.001 0.000 0.218 99 A C 2.366 179.899 177.584 -0.085 0.000 1.181 99 A CA 1.980 53.953 52.037 -0.107 0.000 0.627 99 A CB -1.085 17.842 19.000 -0.122 0.000 0.818 99 A HN 0.507 nan 8.150 nan 0.000 0.445 100 A N -0.758 121.992 122.820 -0.117 0.000 1.930 100 A HA 0.066 4.386 4.320 0.001 0.000 0.217 100 A C 2.192 179.719 177.584 -0.096 0.000 1.175 100 A CA 1.548 53.521 52.037 -0.108 0.000 0.627 100 A CB -0.850 18.072 19.000 -0.130 0.000 0.815 100 A HN 0.385 nan 8.150 nan 0.000 0.443 101 V N 0.383 120.232 119.914 -0.108 0.000 2.392 101 V HA -0.236 3.885 4.120 0.001 0.000 0.249 101 V C 2.582 178.621 176.094 -0.093 0.000 1.059 101 V CA 2.208 64.441 62.300 -0.112 0.000 1.051 101 V CB -0.639 31.114 31.823 -0.117 0.000 0.658 101 V HN 0.519 nan 8.190 nan 0.000 0.455 102 E N -0.036 120.147 120.200 -0.028 0.000 2.046 102 E HA -0.096 4.254 4.350 0.001 0.000 0.190 102 E C 2.256 178.884 176.600 0.047 0.000 0.982 102 E CA 0.958 57.389 56.400 0.052 0.000 0.800 102 E CB -0.321 29.479 29.700 0.168 0.000 0.756 102 E HN 0.517 nan 8.360 nan 0.000 0.449 103 L N 0.692 121.928 121.223 0.021 0.000 2.079 103 L HA -0.206 4.134 4.340 0.001 0.000 0.210 103 L C 2.559 179.422 176.870 -0.011 0.000 1.081 103 L CA 1.281 56.131 54.840 0.017 0.000 0.752 103 L CB -0.609 41.445 42.059 -0.008 0.000 0.896 103 L HN 0.064 nan 8.230 nan 0.000 0.433 104 A N 0.171 122.956 122.820 -0.058 0.000 1.902 104 A HA -0.152 4.168 4.320 0.001 0.000 0.217 104 A C 2.246 179.753 177.584 -0.128 0.000 1.181 104 A CA 1.380 53.365 52.037 -0.087 0.000 0.623 104 A CB -0.691 18.240 19.000 -0.116 0.000 0.818 104 A HN 0.366 nan 8.150 nan 0.000 0.443 105 L N -0.749 120.340 121.223 -0.222 0.000 2.131 105 L HA -0.133 4.208 4.340 0.001 0.000 0.210 105 L C 2.198 178.924 176.870 -0.240 0.000 1.092 105 L CA 0.763 55.342 54.840 -0.435 0.000 0.759 105 L CB -0.448 41.029 42.059 -0.969 0.000 0.903 105 L HN 0.349 nan 8.230 nan 0.000 0.435 106 L N -0.420 120.813 121.223 0.017 0.000 2.551 106 L HA 0.015 4.356 4.340 0.001 0.000 0.228 106 L C 1.536 178.464 176.870 0.095 0.000 1.153 106 L CA 0.749 55.698 54.840 0.182 0.000 0.851 106 L CB -0.443 41.727 42.059 0.186 0.000 0.959 106 L HN 0.498 nan 8.230 nan 0.000 0.451 107 G N -0.621 108.202 108.800 0.038 0.000 2.157 107 G HA2 -0.238 3.723 3.960 0.001 0.000 0.239 107 G HA3 -0.238 3.723 3.960 0.001 0.000 0.239 107 G C 0.373 175.297 174.900 0.040 0.000 0.982 107 G CA -0.061 45.060 45.100 0.035 0.000 0.650 107 G HN 0.503 nan 8.290 nan 0.000 0.527 108 A N -0.307 122.540 122.820 0.045 0.000 2.366 108 A HA 0.758 5.079 4.320 0.001 0.000 0.249 108 A C 0.732 178.351 177.584 0.058 0.000 1.084 108 A CA 0.593 52.667 52.037 0.061 0.000 0.794 108 A CB 0.324 19.364 19.000 0.066 0.000 1.034 108 A HN 1.216 nan 8.150 nan 0.000 0.491 109 R N 0.683 121.239 120.500 0.093 0.000 2.267 109 R HA 0.451 4.791 4.340 0.001 0.000 0.319 109 R C -1.495 174.873 176.300 0.113 0.000 1.067 109 R CA 0.214 56.380 56.100 0.109 0.000 0.936 109 R CB 0.218 30.623 30.300 0.175 0.000 1.006 109 R HN 0.363 nan 8.270 nan 0.000 0.452 110 V N 6.014 125.954 119.914 0.043 0.000 2.407 110 V HA 0.395 4.516 4.120 0.001 0.000 0.291 110 V C -0.610 175.440 176.094 -0.073 0.000 1.018 110 V CA -0.841 61.456 62.300 -0.006 0.000 0.842 110 V CB 1.623 33.421 31.823 -0.043 0.000 0.996 110 V HN 0.572 nan 8.190 nan 0.000 0.426 111 V N 6.112 125.953 119.914 -0.121 0.000 2.581 111 V HA 0.606 4.727 4.120 0.001 0.000 0.303 111 V C -0.381 175.605 176.094 -0.181 0.000 1.041 111 V CA -0.661 61.508 62.300 -0.219 0.000 0.907 111 V CB 2.088 33.583 31.823 -0.547 0.000 0.994 111 V HN 0.740 nan 8.190 nan 0.000 0.442 112 L N 5.374 126.493 121.223 -0.174 0.000 2.410 112 L HA 0.818 5.158 4.340 0.001 0.000 0.270 112 L C -0.893 175.844 176.870 -0.222 0.000 0.983 112 L CA -0.673 54.034 54.840 -0.221 0.000 0.822 112 L CB 2.086 43.995 42.059 -0.249 0.000 1.285 112 L HN 0.608 nan 8.230 nan 0.000 0.409 113 V N 1.036 120.821 119.914 -0.215 0.000 2.513 113 V HA 0.790 4.911 4.120 0.001 0.000 0.299 113 V C -0.803 175.161 176.094 -0.217 0.000 1.035 113 V CA -0.465 61.729 62.300 -0.177 0.000 0.889 113 V CB 1.542 33.324 31.823 -0.067 0.000 0.988 113 V HN 0.846 nan 8.190 nan 0.000 0.440 114 E N 3.477 123.533 120.200 -0.240 0.000 2.256 114 E HA 0.422 4.773 4.350 0.001 0.000 0.268 114 E C 0.537 177.133 176.600 -0.006 0.000 0.877 114 E CA -0.445 55.854 56.400 -0.168 0.000 0.757 114 E CB 2.301 31.803 29.700 -0.329 0.000 1.183 114 E HN 0.823 nan 8.360 nan 0.000 0.418 115 K N 3.527 123.957 120.400 0.050 0.000 2.296 115 K HA 0.138 4.458 4.320 0.001 0.000 0.200 115 K C 0.406 177.083 176.600 0.127 0.000 1.048 115 K CA 0.360 56.702 56.287 0.092 0.000 0.966 115 K CB 0.313 32.870 32.500 0.095 0.000 0.754 115 K HN 0.290 nan 8.250 nan 0.000 0.466 116 R N 0.649 121.245 120.500 0.160 0.000 2.541 116 R HA 0.331 4.671 4.340 0.001 0.000 0.254 116 R C 1.232 177.684 176.300 0.254 0.000 1.130 116 R CA -0.230 55.974 56.100 0.175 0.000 1.152 116 R CB 0.564 30.963 30.300 0.165 0.000 1.222 116 R HN 0.283 nan 8.270 nan 0.000 0.579 117 I N -2.837 117.810 120.570 0.128 0.000 4.338 117 I HA 0.275 4.446 4.170 0.001 0.000 0.329 117 I C -0.206 175.741 176.117 -0.284 0.000 1.378 117 I CA -0.279 61.019 61.300 -0.003 0.000 1.170 117 I CB 0.361 38.337 38.000 -0.039 0.000 1.206 117 I HN 0.399 nan 8.210 nan 0.000 0.432 118 K N 0.465 120.746 120.400 -0.199 0.000 2.499 118 K HA 0.488 4.809 4.320 0.001 0.000 0.277 118 K C -1.694 174.816 176.600 -0.151 0.000 1.025 118 K CA -0.717 55.368 56.287 -0.336 0.000 0.900 118 K CB 1.566 33.951 32.500 -0.192 0.000 1.494 118 K HN -0.149 nan 8.250 nan 0.000 0.442 119 F N 1.920 121.816 119.950 -0.091 0.000 2.308 119 F HA 0.255 4.783 4.527 0.001 0.000 0.370 119 F C 0.984 176.699 175.800 -0.141 0.000 1.100 119 F CA -1.143 56.802 58.000 -0.092 0.000 1.108 119 F CB 1.443 40.371 39.000 -0.120 0.000 1.293 119 F HN 0.744 nan 8.300 nan 0.000 0.478 120 S N 1.515 117.255 115.700 0.065 0.000 2.540 120 S HA 0.271 4.741 4.470 0.001 0.000 0.218 120 S C 0.639 175.154 174.600 -0.141 0.000 0.977 120 S CA -0.424 57.758 58.200 -0.029 0.000 0.918 120 S CB 0.094 63.323 63.200 0.049 0.000 0.806 120 S HN 0.448 nan 8.310 nan 0.000 0.496 121 R N 1.085 121.496 120.500 -0.148 0.000 2.297 121 R HA 0.412 4.753 4.340 0.001 0.000 0.308 121 R C 0.259 176.404 176.300 -0.259 0.000 1.029 121 R CA -0.385 55.645 56.100 -0.117 0.000 0.929 121 R CB 0.471 30.726 30.300 -0.076 0.000 1.046 121 R HN 0.415 nan 8.270 nan 0.000 0.461 122 H N 0.269 119.342 119.070 0.005 0.000 2.705 122 H HA 0.135 4.692 4.556 0.001 0.000 0.269 122 H C -0.083 175.228 175.328 -0.030 0.000 0.998 122 H CA -0.201 55.845 56.048 -0.003 0.000 1.193 122 H CB 0.642 30.432 29.762 0.046 0.000 1.485 122 H HN 0.441 nan 8.280 nan 0.000 0.521 123 N N 1.528 120.258 118.700 0.050 0.000 2.374 123 N HA -0.000 4.740 4.740 0.001 0.000 0.241 123 N C -0.160 175.119 175.510 -0.385 0.000 1.262 123 N CA 0.157 53.156 53.050 -0.085 0.000 0.880 123 N CB 1.205 39.650 38.487 -0.070 0.000 1.105 123 N HN -0.099 nan 8.380 nan 0.000 0.438 124 V N 2.568 121.951 119.914 -0.884 0.000 2.435 124 V HA 0.383 4.503 4.120 0.001 0.000 0.290 124 V C 0.158 175.927 176.094 -0.542 0.000 1.030 124 V CA -0.715 61.165 62.300 -0.699 0.000 0.881 124 V CB 1.143 32.539 31.823 -0.713 0.000 0.983 124 V HN 0.355 nan 8.190 nan 0.000 0.445 125 L N 3.917 124.936 121.223 -0.341 0.000 2.307 125 L HA 0.520 4.861 4.340 0.001 0.000 0.284 125 L C -0.060 176.686 176.870 -0.207 0.000 1.023 125 L CA -0.804 53.886 54.840 -0.250 0.000 0.810 125 L CB 1.207 43.096 42.059 -0.284 0.000 1.231 125 L HN 0.680 nan 8.230 nan 0.000 0.423 126 H N 3.609 122.560 119.070 -0.198 0.000 2.732 126 H HA 0.424 4.980 4.556 0.001 0.000 0.351 126 H C -1.064 174.161 175.328 -0.171 0.000 1.090 126 H CA 0.197 56.127 56.048 -0.196 0.000 1.431 126 H CB 0.691 30.453 29.762 -0.001 0.000 1.447 126 H HN 0.394 nan 8.280 nan 0.000 0.582 127 L N 4.983 125.681 121.223 -0.874 0.000 2.356 127 L HA 0.239 4.579 4.340 0.001 0.000 0.277 127 L C -0.623 175.902 176.870 -0.576 0.000 0.996 127 L CA -1.044 53.407 54.840 -0.650 0.000 0.822 127 L CB 1.100 42.875 42.059 -0.473 0.000 1.256 127 L HN 0.577 nan 8.230 nan 0.000 0.413 128 W N 3.265 124.236 121.300 -0.549 0.000 2.126 128 W HA 0.250 4.911 4.660 0.001 0.000 0.346 128 W C -1.402 174.947 176.519 -0.283 0.000 1.279 128 W CA -1.833 55.338 57.345 -0.290 0.000 1.259 128 W CB -0.369 29.028 29.460 -0.105 0.000 1.133 128 W HN 0.333 nan 8.180 nan 0.000 0.592 129 P HA -0.275 nan 4.420 nan 0.000 0.216 129 P C 1.625 178.969 177.300 0.072 0.000 1.154 129 P CA 2.051 65.176 63.100 0.041 0.000 0.865 129 P CB -0.246 31.481 31.700 0.045 0.000 0.789 130 F N -0.734 119.270 119.950 0.090 0.000 2.216 130 F HA -0.114 4.413 4.527 0.001 0.000 0.300 130 F C 1.626 177.528 175.800 0.171 0.000 1.085 130 F CA 1.606 59.620 58.000 0.024 0.000 1.326 130 F CB -1.989 37.000 39.000 -0.018 0.000 1.027 130 F HN -0.201 nan 8.300 nan 0.000 0.497 131 T N 1.700 115.832 114.554 -0.702 0.000 2.942 131 T HA 0.038 4.388 4.350 0.001 0.000 0.265 131 T C 2.069 176.736 174.700 -0.054 0.000 1.062 131 T CA 1.511 63.304 62.100 -0.511 0.000 1.139 131 T CB -0.397 67.949 68.868 -0.869 0.000 0.883 131 T HN 0.336 nan 8.240 nan 0.000 0.468 132 I N 0.815 121.364 120.570 -0.035 0.000 2.142 132 I HA -0.227 3.944 4.170 0.001 0.000 0.240 132 I C 2.695 178.939 176.117 0.213 0.000 1.078 132 I CA 1.462 62.839 61.300 0.129 0.000 1.343 132 I CB -0.540 37.442 38.000 -0.031 0.000 1.046 132 I HN 0.336 nan 8.210 nan 0.000 0.405 133 H N 1.051 120.170 119.070 0.082 0.000 2.352 133 H HA -0.255 4.301 4.556 0.001 0.000 0.299 133 H C 1.811 177.213 175.328 0.123 0.000 1.097 133 H CA 2.507 58.610 56.048 0.091 0.000 1.311 133 H CB -0.178 29.616 29.762 0.052 0.000 1.377 133 H HN 0.376 nan 8.280 nan 0.000 0.504 134 D N 0.083 120.684 120.400 0.335 0.000 2.106 134 D HA -0.154 4.486 4.640 0.001 0.000 0.191 134 D C 2.705 179.099 176.300 0.156 0.000 0.997 134 D CA 1.559 55.758 54.000 0.331 0.000 0.834 134 D CB -0.313 40.791 40.800 0.506 0.000 0.956 134 D HN 0.385 nan 8.370 nan 0.000 0.448 135 L N -0.312 120.984 121.223 0.121 0.000 2.072 135 L HA -0.035 4.306 4.340 0.001 0.000 0.205 135 L C 2.798 179.533 176.870 -0.225 0.000 1.079 135 L CA 0.832 55.636 54.840 -0.060 0.000 0.752 135 L CB -0.382 41.596 42.059 -0.134 0.000 0.906 135 L HN 0.042 nan 8.230 nan 0.000 0.436 136 R N 0.205 120.608 120.500 -0.162 0.000 2.091 136 R HA -0.169 4.172 4.340 0.001 0.000 0.238 136 R C 2.233 178.427 176.300 -0.177 0.000 1.136 136 R CA 1.471 57.469 56.100 -0.171 0.000 0.959 136 R CB -0.516 29.740 30.300 -0.074 0.000 0.856 136 R HN 0.340 nan 8.270 nan 0.000 0.437 137 A N 0.654 123.364 122.820 -0.184 0.000 2.168 137 A HA -0.009 4.312 4.320 0.001 0.000 0.215 137 A C 1.773 179.333 177.584 -0.041 0.000 1.152 137 A CA 0.770 52.732 52.037 -0.125 0.000 0.716 137 A CB -0.121 18.821 19.000 -0.095 0.000 0.794 137 A HN 0.184 nan 8.150 nan 0.000 0.465 138 L N -1.465 119.735 121.223 -0.039 0.000 2.667 138 L HA 0.274 4.614 4.340 0.001 0.000 0.232 138 L C 1.379 178.265 176.870 0.028 0.000 1.138 138 L CA 0.488 55.332 54.840 0.007 0.000 0.921 138 L CB 0.094 42.161 42.059 0.014 0.000 1.180 138 L HN 0.516 nan 8.230 nan 0.000 0.487 139 G N -0.162 108.596 108.800 -0.071 0.000 2.130 139 G HA2 -0.291 3.670 3.960 0.001 0.000 0.216 139 G HA3 -0.291 3.670 3.960 0.001 0.000 0.216 139 G C 1.022 175.795 174.900 -0.212 0.000 0.999 139 G CA 0.341 45.335 45.100 -0.177 0.000 0.686 139 G HN 0.365 nan 8.290 nan 0.000 0.515 140 A N 0.108 122.802 122.820 -0.210 0.000 1.917 140 A HA -0.042 4.279 4.320 0.001 0.000 0.219 140 A C 2.204 179.671 177.584 -0.194 0.000 1.182 140 A CA 2.589 54.443 52.037 -0.305 0.000 0.633 140 A CB -0.344 18.040 19.000 -1.027 0.000 0.819 140 A HN 0.857 nan 8.150 nan 0.000 0.448 141 K N 0.226 120.514 120.400 -0.186 0.000 2.097 141 K HA -0.180 4.140 4.320 0.001 0.000 0.206 141 K C 1.964 178.479 176.600 -0.143 0.000 1.049 141 K CA 2.036 58.267 56.287 -0.093 0.000 0.933 141 K CB -0.207 32.250 32.500 -0.073 0.000 0.717 141 K HN 0.352 nan 8.250 nan 0.000 0.442 142 K N -0.482 119.743 120.400 -0.291 0.000 2.057 142 K HA -0.080 4.241 4.320 0.001 0.000 0.207 142 K C 1.495 177.882 176.600 -0.355 0.000 1.049 142 K CA 1.630 57.669 56.287 -0.412 0.000 0.931 142 K CB -0.308 31.783 32.500 -0.682 0.000 0.714 142 K HN 0.171 nan 8.250 nan 0.000 0.440 143 F N -1.416 118.481 119.950 -0.088 0.000 2.569 143 F HA 0.171 4.699 4.527 0.001 0.000 0.295 143 F C 0.297 176.115 175.800 0.030 0.000 1.115 143 F CA 0.122 58.066 58.000 -0.094 0.000 1.450 143 F CB 0.048 38.959 39.000 -0.148 0.000 1.107 143 F HN -0.067 nan 8.300 nan 0.000 0.563 144 Y N -0.001 120.330 120.300 0.052 0.000 2.359 144 Y HA 0.501 5.051 4.550 0.001 0.000 0.336 144 Y C 0.855 176.791 175.900 0.060 0.000 1.098 144 Y CA -1.953 56.181 58.100 0.056 0.000 1.272 144 Y CB 1.073 39.583 38.460 0.083 0.000 1.112 144 Y HN -0.011 nan 8.280 nan 0.000 0.481 145 G N 3.474 112.251 108.800 -0.038 0.000 2.509 145 G HA2 -0.166 3.795 3.960 0.001 0.000 0.218 145 G HA3 -0.166 3.795 3.960 0.001 0.000 0.218 145 G C 1.275 176.013 174.900 -0.270 0.000 1.124 145 G CA 0.237 45.263 45.100 -0.123 0.000 0.776 145 G HN 0.534 nan 8.290 nan 0.000 0.547 146 R N -0.792 119.341 120.500 -0.613 0.000 2.388 146 R HA 0.243 4.584 4.340 0.001 0.000 0.247 146 R C -0.160 175.716 176.300 -0.707 0.000 0.931 146 R CA -0.765 54.958 56.100 -0.628 0.000 1.082 146 R CB -0.190 29.737 30.300 -0.622 0.000 1.135 146 R HN 0.244 nan 8.270 nan 0.000 0.525 147 F N 0.469 119.963 119.950 -0.759 0.000 2.541 147 F HA 0.045 4.573 4.527 0.001 0.000 0.378 147 F C 0.614 176.263 175.800 -0.252 0.000 1.068 147 F CA -0.327 57.417 58.000 -0.426 0.000 1.199 147 F CB 0.252 39.170 39.000 -0.137 0.000 1.091 147 F HN 0.108 nan 8.300 nan 0.000 0.555 148 C N 4.614 123.268 119.300 -1.077 0.000 3.447 148 C HA -0.246 4.214 4.460 0.001 0.000 0.270 148 C C 0.989 175.685 174.990 -0.491 0.000 1.417 148 C CA 1.154 59.639 59.018 -0.890 0.000 2.101 148 C CB -3.018 24.020 27.740 -1.171 0.000 1.375 148 C HN 1.012 nan 8.230 nan 0.000 0.564 149 T N -0.343 113.989 114.554 -0.370 0.000 2.910 149 T HA 0.510 4.860 4.350 0.001 0.000 0.293 149 T C 1.157 175.731 174.700 -0.211 0.000 1.015 149 T CA 1.635 63.594 62.100 -0.236 0.000 1.094 149 T CB 1.099 69.850 68.868 -0.196 0.000 0.968 149 T HN 2.067 nan 8.240 nan 0.000 0.521 150 G N 3.454 112.163 108.800 -0.151 0.000 2.550 150 G HA2 -0.318 3.642 3.960 0.001 0.000 0.277 150 G HA3 -0.318 3.642 3.960 0.001 0.000 0.277 150 G C 0.910 175.727 174.900 -0.138 0.000 1.190 150 G CA 0.896 45.922 45.100 -0.123 0.000 0.971 150 G HN 1.583 nan 8.290 nan 0.000 0.559 151 T N -0.328 114.149 114.554 -0.129 0.000 3.144 151 T HA 0.553 4.904 4.350 0.001 0.000 0.249 151 T C 1.167 175.753 174.700 -0.192 0.000 1.089 151 T CA 0.384 62.407 62.100 -0.128 0.000 0.989 151 T CB -0.152 68.666 68.868 -0.082 0.000 0.992 151 T HN 0.582 nan 8.240 nan 0.000 0.540 152 L N 3.172 124.231 121.223 -0.274 0.000 2.416 152 L HA 0.314 4.654 4.340 0.001 0.000 0.272 152 L C -0.018 176.523 176.870 -0.549 0.000 1.161 152 L CA -0.186 54.378 54.840 -0.459 0.000 0.845 152 L CB 0.385 42.111 42.059 -0.553 0.000 1.119 152 L HN 0.400 nan 8.230 nan 0.000 0.464 153 D N 1.004 121.029 120.400 -0.625 0.000 2.945 153 D HA 0.260 4.900 4.640 0.001 0.000 0.369 153 D C -0.487 175.487 176.300 -0.544 0.000 1.294 153 D CA -0.449 53.246 54.000 -0.509 0.000 0.778 153 D CB 0.106 40.724 40.800 -0.303 0.000 1.188 153 D HN 0.626 nan 8.370 nan 0.000 0.479 154 H N -1.764 117.038 119.070 -0.448 0.000 3.017 154 H HA 0.762 5.318 4.556 0.001 0.000 0.346 154 H C -1.584 173.547 175.328 -0.329 0.000 1.286 154 H CA -1.182 54.585 56.048 -0.468 0.000 1.120 154 H CB 1.516 30.857 29.762 -0.702 0.000 1.860 154 H HN 0.097 nan 8.280 nan 0.000 0.542 155 I N 1.139 121.666 120.570 -0.072 0.000 2.787 155 I HA 0.410 4.580 4.170 0.001 0.000 0.294 155 I C -0.786 175.269 176.117 -0.103 0.000 1.365 155 I CA -0.649 60.644 61.300 -0.012 0.000 1.029 155 I CB 2.148 40.169 38.000 0.035 0.000 1.313 155 I HN 1.023 nan 8.210 nan 0.000 0.431 156 S N 5.920 121.566 115.700 -0.089 0.000 2.572 156 S HA 0.286 4.756 4.470 0.001 0.000 0.279 156 S C 1.204 175.678 174.600 -0.210 0.000 1.341 156 S CA -0.465 57.641 58.200 -0.156 0.000 1.043 156 S CB 1.096 64.242 63.200 -0.090 0.000 0.887 156 S HN 0.596 nan 8.310 nan 0.000 0.516 157 I N 1.976 122.404 120.570 -0.237 0.000 2.118 157 I HA -0.295 3.875 4.170 0.001 0.000 0.241 157 I C 2.884 178.820 176.117 -0.301 0.000 1.070 157 I CA 2.121 63.263 61.300 -0.263 0.000 1.327 157 I CB -0.460 37.388 38.000 -0.253 0.000 1.034 157 I HN 0.829 nan 8.210 nan 0.000 0.405 158 R N 0.702 121.028 120.500 -0.289 0.000 2.120 158 R HA -0.169 4.171 4.340 0.001 0.000 0.234 158 R C 2.037 178.144 176.300 -0.322 0.000 1.123 158 R CA 1.059 56.976 56.100 -0.305 0.000 0.975 158 R CB -0.554 29.602 30.300 -0.240 0.000 0.866 158 R HN 0.369 nan 8.270 nan 0.000 0.446 159 Q N 0.919 120.523 119.800 -0.327 0.000 2.119 159 Q HA -0.107 4.234 4.340 0.001 0.000 0.201 159 Q C 2.147 177.917 176.000 -0.383 0.000 0.972 159 Q CA 1.007 56.542 55.803 -0.446 0.000 0.847 159 Q CB -0.269 28.023 28.738 -0.744 0.000 0.903 159 Q HN 0.312 nan 8.270 nan 0.000 0.433 160 L N 1.287 122.331 121.223 -0.298 0.000 2.017 160 L HA -0.186 4.154 4.340 0.001 0.000 0.208 160 L C 2.187 178.878 176.870 -0.297 0.000 1.073 160 L CA 1.810 56.519 54.840 -0.218 0.000 0.745 160 L CB -0.664 41.290 42.059 -0.175 0.000 0.894 160 L HN 0.171 nan 8.230 nan 0.000 0.432 161 Q N -0.804 118.716 119.800 -0.467 0.000 2.096 161 Q HA -0.226 4.115 4.340 0.001 0.000 0.204 161 Q C 2.313 177.972 176.000 -0.568 0.000 0.982 161 Q CA 1.964 57.307 55.803 -0.766 0.000 0.850 161 Q CB -0.298 27.483 28.738 -1.596 0.000 0.901 161 Q HN 0.524 nan 8.270 nan 0.000 0.422 162 L N 0.303 121.305 121.223 -0.369 0.000 2.017 162 L HA -0.205 4.135 4.340 0.001 0.000 0.208 162 L C 2.371 179.075 176.870 -0.278 0.000 1.073 162 L CA 0.857 55.611 54.840 -0.143 0.000 0.745 162 L CB -0.539 41.438 42.059 -0.137 0.000 0.894 162 L HN 0.321 nan 8.230 nan 0.000 0.432 163 L N -2.055 118.988 121.223 -0.299 0.000 2.109 163 L HA -0.110 4.231 4.340 0.001 0.000 0.207 163 L C 2.209 178.857 176.870 -0.370 0.000 1.086 163 L CA 1.543 56.169 54.840 -0.357 0.000 0.760 163 L CB -0.927 41.044 42.059 -0.146 0.000 0.910 163 L HN 0.046 nan 8.230 nan 0.000 0.437 164 L N -0.630 120.443 121.223 -0.250 0.000 2.093 164 L HA -0.136 4.205 4.340 0.001 0.000 0.208 164 L C 2.628 179.383 176.870 -0.191 0.000 1.085 164 L CA 0.920 55.640 54.840 -0.200 0.000 0.755 164 L CB -0.598 41.363 42.059 -0.163 0.000 0.904 164 L HN 0.381 nan 8.230 nan 0.000 0.435 165 L N 0.261 121.391 121.223 -0.155 0.000 2.017 165 L HA -0.221 4.119 4.340 0.001 0.000 0.208 165 L C 2.476 179.242 176.870 -0.173 0.000 1.073 165 L CA 1.874 56.690 54.840 -0.039 0.000 0.745 165 L CB -0.495 41.676 42.059 0.187 0.000 0.894 165 L HN 0.079 nan 8.230 nan 0.000 0.432 166 K N -1.099 119.064 120.400 -0.395 0.000 2.063 166 K HA -0.132 4.188 4.320 0.001 0.000 0.208 166 K C 1.930 178.379 176.600 -0.252 0.000 1.048 166 K CA 1.641 57.612 56.287 -0.525 0.000 0.928 166 K CB -0.387 31.288 32.500 -1.375 0.000 0.713 166 K HN 0.273 nan 8.250 nan 0.000 0.442 167 V N 1.352 121.084 119.914 -0.304 0.000 2.295 167 V HA -0.263 3.858 4.120 0.001 0.000 0.246 167 V C 2.364 178.404 176.094 -0.089 0.000 1.049 167 V CA 2.045 64.297 62.300 -0.081 0.000 1.024 167 V CB -0.762 31.023 31.823 -0.064 0.000 0.648 167 V HN 0.376 nan 8.190 nan 0.000 0.447 168 A N -0.152 122.592 122.820 -0.127 0.000 1.883 168 A HA -0.201 4.120 4.320 0.001 0.000 0.217 168 A C 2.241 179.747 177.584 -0.130 0.000 1.186 168 A CA 2.043 54.006 52.037 -0.122 0.000 0.624 168 A CB -0.619 18.312 19.000 -0.114 0.000 0.822 168 A HN 0.499 nan 8.150 nan 0.000 0.444 169 L N -0.872 120.241 121.223 -0.185 0.000 2.017 169 L HA -0.188 4.152 4.340 0.001 0.000 0.208 169 L C 2.598 179.289 176.870 -0.300 0.000 1.073 169 L CA 1.204 55.816 54.840 -0.381 0.000 0.745 169 L CB -0.541 41.038 42.059 -0.799 0.000 0.894 169 L HN 0.374 nan 8.230 nan 0.000 0.432 170 L N -0.528 120.625 121.223 -0.116 0.000 2.083 170 L HA -0.222 4.119 4.340 0.001 0.000 0.209 170 L C 2.187 179.150 176.870 0.154 0.000 1.083 170 L CA 1.095 56.060 54.840 0.209 0.000 0.752 170 L CB -0.308 42.014 42.059 0.438 0.000 0.899 170 L HN 0.289 nan 8.230 nan 0.000 0.433 171 L N -0.606 120.585 121.223 -0.054 0.000 2.599 171 L HA 0.120 4.460 4.340 0.001 0.000 0.230 171 L C 1.401 178.232 176.870 -0.065 0.000 1.141 171 L CA 0.560 55.298 54.840 -0.169 0.000 0.877 171 L CB -0.419 41.487 42.059 -0.254 0.000 1.009 171 L HN 0.482 nan 8.230 nan 0.000 0.447 172 G N -0.272 108.529 108.800 0.002 0.000 2.141 172 G HA2 -0.238 3.723 3.960 0.001 0.000 0.231 172 G HA3 -0.238 3.723 3.960 0.001 0.000 0.231 172 G C 0.248 175.141 174.900 -0.012 0.000 0.984 172 G CA -0.095 45.022 45.100 0.028 0.000 0.660 172 G HN 0.069 nan 8.290 nan 0.000 0.525 173 V N 1.035 120.919 119.914 -0.050 0.000 2.599 173 V HA 0.238 4.358 4.120 0.001 0.000 0.300 173 V C 0.964 177.013 176.094 -0.074 0.000 1.034 173 V CA 0.717 62.973 62.300 -0.072 0.000 1.115 173 V CB 1.512 33.275 31.823 -0.100 0.000 0.934 173 V HN 0.466 nan 8.190 nan 0.000 0.485 174 E N 5.481 125.625 120.200 -0.093 0.000 2.089 174 E HA 0.412 4.763 4.350 0.001 0.000 0.284 174 E C -0.909 175.572 176.600 -0.199 0.000 1.023 174 E CA -0.436 55.888 56.400 -0.126 0.000 0.819 174 E CB 0.572 30.213 29.700 -0.098 0.000 1.076 174 E HN 0.630 nan 8.360 nan 0.000 0.396 175 I N 4.767 125.170 120.570 -0.278 0.000 2.404 175 I HA 0.286 4.456 4.170 0.001 0.000 0.293 175 I C -0.100 175.652 176.117 -0.607 0.000 0.992 175 I CA -0.822 60.235 61.300 -0.405 0.000 1.149 175 I CB 1.317 39.081 38.000 -0.394 0.000 1.315 175 I HN 0.463 nan 8.210 nan 0.000 0.446 176 H N 4.520 123.329 119.070 -0.435 0.000 2.489 176 H HA 0.301 4.857 4.556 0.001 0.000 0.343 176 H C -1.423 173.640 175.328 -0.443 0.000 1.086 176 H CA -0.547 55.326 56.048 -0.291 0.000 1.198 176 H CB 1.610 31.290 29.762 -0.138 0.000 1.490 176 H HN 0.496 nan 8.280 nan 0.000 0.504 177 W N -0.346 120.990 121.300 0.061 0.000 2.639 177 W HA 0.429 5.089 4.660 0.001 0.000 0.347 177 W C 0.894 177.433 176.519 0.033 0.000 1.067 177 W CA -0.503 56.852 57.345 0.017 0.000 1.218 177 W CB 1.063 30.499 29.460 -0.041 0.000 1.393 177 W HN 0.913 nan 8.180 nan 0.000 0.557 178 G N 0.525 109.482 108.800 0.261 0.000 2.198 178 G HA2 -0.070 3.890 3.960 0.001 0.000 0.260 178 G HA3 -0.070 3.890 3.960 0.001 0.000 0.260 178 G C -0.646 174.325 174.900 0.119 0.000 1.025 178 G CA 0.169 45.367 45.100 0.163 0.000 0.769 178 G HN 1.171 nan 8.290 nan 0.000 0.507 179 V N -3.342 116.632 119.914 0.100 0.000 2.577 179 V HA 0.829 4.950 4.120 0.001 0.000 0.303 179 V C -0.168 175.970 176.094 0.074 0.000 1.042 179 V CA -1.481 60.864 62.300 0.074 0.000 0.872 179 V CB 1.971 33.827 31.823 0.056 0.000 0.998 179 V HN 0.396 nan 8.190 nan 0.000 0.423 180 K N 4.235 124.686 120.400 0.084 0.000 2.240 180 K HA 0.495 4.816 4.320 0.001 0.000 0.271 180 K C -0.900 175.783 176.600 0.139 0.000 1.018 180 K CA -0.774 55.581 56.287 0.113 0.000 0.874 180 K CB 1.249 33.810 32.500 0.102 0.000 1.098 180 K HN 0.773 nan 8.250 nan 0.000 0.458 181 F N 4.379 124.352 119.950 0.038 0.000 2.541 181 F HA 0.033 4.561 4.527 0.001 0.000 0.378 181 F C 0.935 176.820 175.800 0.141 0.000 1.068 181 F CA 0.641 58.680 58.000 0.065 0.000 1.199 181 F CB 0.890 39.897 39.000 0.011 0.000 1.091 181 F HN 0.676 nan 8.300 nan 0.000 0.555 182 T N 1.892 116.162 114.554 -0.474 0.000 3.040 182 T HA 0.636 4.987 4.350 0.001 0.000 0.266 182 T C 0.464 174.918 174.700 -0.409 0.000 1.005 182 T CA 0.109 62.051 62.100 -0.265 0.000 0.906 182 T CB -0.222 68.581 68.868 -0.107 0.000 1.082 182 T HN 1.127 nan 8.240 nan 0.000 0.531 183 G N 0.815 109.013 108.800 -1.002 0.000 2.350 183 G HA2 0.364 4.325 3.960 0.001 0.000 0.282 183 G HA3 0.364 4.325 3.960 0.001 0.000 0.282 183 G C -2.265 172.446 174.900 -0.315 0.000 1.314 183 G CA -1.028 43.790 45.100 -0.470 0.000 0.915 183 G HN 0.381 nan 8.290 nan 0.000 0.499 184 L N 0.295 121.572 121.223 0.091 0.000 2.362 184 L HA 0.548 4.889 4.340 0.001 0.000 0.271 184 L C 0.024 177.026 176.870 0.220 0.000 1.002 184 L CA -0.770 54.248 54.840 0.297 0.000 0.818 184 L CB 2.187 44.545 42.059 0.499 0.000 1.298 184 L HN 0.550 nan 8.230 nan 0.000 0.420 185 Q N 4.331 124.252 119.800 0.201 0.000 2.390 185 Q HA 0.295 4.635 4.340 0.001 0.000 0.249 185 Q C -2.282 173.710 176.000 -0.013 0.000 0.996 185 Q CA -1.912 53.937 55.803 0.077 0.000 0.899 185 Q CB 1.155 29.914 28.738 0.034 0.000 1.216 185 Q HN 0.261 nan 8.270 nan 0.000 0.465 186 P HA 0.072 nan 4.420 nan 0.000 0.269 186 P C -2.560 174.402 177.300 -0.564 0.000 1.209 186 P CA -1.459 61.293 63.100 -0.579 0.000 0.776 186 P CB -0.148 31.362 31.700 -0.317 0.000 0.876 187 P HA 0.055 nan 4.420 nan 0.000 0.260 187 P C -1.892 175.274 177.300 -0.223 0.000 1.185 187 P CA -0.731 62.081 63.100 -0.481 0.000 0.763 187 P CB -0.648 30.756 31.700 -0.492 0.000 0.776 188 P HA -0.082 nan 4.420 nan 0.000 0.221 188 P C 0.148 177.231 177.300 -0.363 0.000 1.150 188 P CA 1.263 64.253 63.100 -0.184 0.000 0.800 188 P CB 0.273 31.882 31.700 -0.152 0.000 0.787 189 R N -3.286 116.921 120.500 -0.487 0.000 2.728 189 R HA 0.422 4.762 4.340 0.001 0.000 0.274 189 R C -1.151 174.880 176.300 -0.449 0.000 1.030 189 R CA -1.132 54.528 56.100 -0.734 0.000 0.876 189 R CB 0.310 30.376 30.300 -0.390 0.000 1.259 189 R HN -0.433 nan 8.270 nan 0.000 0.468 190 K N 0.166 120.371 120.400 -0.324 0.000 2.511 190 K HA 0.189 4.510 4.320 0.001 0.000 0.280 190 K C 0.983 177.527 176.600 -0.094 0.000 1.008 190 K CA 2.287 58.515 56.287 -0.098 0.000 1.050 190 K CB -0.013 32.463 32.500 -0.040 0.000 0.889 190 K HN 0.856 nan 8.250 nan 0.000 0.484 191 G N 1.936 110.702 108.800 -0.056 0.000 2.241 191 G HA2 -0.252 3.708 3.960 0.001 0.000 0.244 191 G HA3 -0.252 3.708 3.960 0.001 0.000 0.244 191 G C -0.046 174.812 174.900 -0.069 0.000 0.998 191 G CA 0.251 45.319 45.100 -0.054 0.000 0.621 191 G HN 0.650 nan 8.290 nan 0.000 0.519 192 S N 0.395 116.033 115.700 -0.103 0.000 2.610 192 S HA 0.677 5.147 4.470 0.001 0.000 0.273 192 S C 0.744 175.262 174.600 -0.137 0.000 1.274 192 S CA 0.133 58.256 58.200 -0.129 0.000 1.023 192 S CB 1.701 64.794 63.200 -0.178 0.000 0.962 192 S HN 1.253 nan 8.310 nan 0.000 0.523 193 G N -0.245 108.465 108.800 -0.150 0.000 2.667 193 G HA2 0.570 4.531 3.960 0.001 0.000 0.310 193 G HA3 0.570 4.531 3.960 0.001 0.000 0.310 193 G C -1.542 173.195 174.900 -0.272 0.000 1.259 193 G CA -1.003 44.008 45.100 -0.149 0.000 1.019 193 G HN 0.635 nan 8.290 nan 0.000 0.496 194 W N 0.078 121.196 121.300 -0.303 0.000 2.218 194 W HA 0.621 5.282 4.660 0.001 0.000 0.326 194 W C 0.895 176.992 176.519 -0.704 0.000 1.276 194 W CA -0.158 56.927 57.345 -0.433 0.000 1.210 194 W CB 0.816 29.987 29.460 -0.481 0.000 1.143 194 W HN 0.247 nan 8.180 nan 0.000 0.563 195 R N 1.615 122.002 120.500 -0.187 0.000 2.912 195 R HA 0.850 5.190 4.340 0.001 0.000 0.262 195 R C -0.769 175.720 176.300 0.316 0.000 1.057 195 R CA -1.295 54.784 56.100 -0.035 0.000 0.981 195 R CB 1.560 31.880 30.300 0.034 0.000 1.201 195 R HN 0.494 nan 8.270 nan 0.000 0.484 196 A N 0.899 124.035 122.820 0.526 0.000 2.312 196 A HA 0.352 4.672 4.320 0.001 0.000 0.328 196 A C -0.763 176.922 177.584 0.168 0.000 1.158 196 A CA -0.620 51.700 52.037 0.472 0.000 0.821 196 A CB 0.941 20.300 19.000 0.598 0.000 1.170 196 A HN 0.595 nan 8.150 nan 0.000 0.490 197 Q N 0.835 120.620 119.800 -0.024 0.000 2.294 197 Q HA 0.556 4.896 4.340 0.001 0.000 0.257 197 Q C -1.251 174.670 176.000 -0.131 0.000 0.955 197 Q CA 0.195 55.949 55.803 -0.083 0.000 0.936 197 Q CB 1.106 29.767 28.738 -0.128 0.000 1.188 197 Q HN 0.610 nan 8.270 nan 0.000 0.420 198 L N 2.080 123.283 121.223 -0.033 0.000 2.401 198 L HA 0.482 4.822 4.340 0.001 0.000 0.266 198 L C -0.566 176.308 176.870 0.007 0.000 0.991 198 L CA -0.754 54.085 54.840 -0.001 0.000 0.818 198 L CB 2.248 44.329 42.059 0.037 0.000 1.321 198 L HN 0.480 nan 8.230 nan 0.000 0.413 199 Q N 3.240 123.053 119.800 0.021 0.000 2.337 199 Q HA 0.469 4.810 4.340 0.001 0.000 0.270 199 Q C -2.478 173.547 176.000 0.042 0.000 1.043 199 Q CA -1.757 54.062 55.803 0.027 0.000 0.794 199 Q CB 3.256 32.010 28.738 0.027 0.000 1.281 199 Q HN 0.294 nan 8.270 nan 0.000 0.446 200 P HA 0.073 nan 4.420 nan 0.000 0.302 200 P C -0.658 176.658 177.300 0.028 0.000 1.307 200 P CA -0.623 62.496 63.100 0.032 0.000 0.754 200 P CB 0.535 32.256 31.700 0.035 0.000 1.298 201 N N 1.270 119.984 118.700 0.024 0.000 2.374 201 N HA 0.065 4.805 4.740 0.001 0.000 0.269 201 N C -1.687 173.837 175.510 0.023 0.000 1.310 201 N CA -0.101 52.962 53.050 0.022 0.000 0.877 201 N CB -1.036 37.463 38.487 0.020 0.000 1.096 201 N HN 0.354 nan 8.380 nan 0.000 0.484 202 P HA 0.430 nan 4.420 nan 0.000 0.280 202 P C -2.553 174.754 177.300 0.012 0.000 1.272 202 P CA -1.273 61.831 63.100 0.007 0.000 0.819 202 P CB -0.018 31.669 31.700 -0.021 0.000 1.122 203 P HA 0.071 nan 4.420 nan 0.000 0.270 203 P C 0.918 178.233 177.300 0.024 0.000 1.223 203 P CA -0.072 63.043 63.100 0.025 0.000 0.785 203 P CB 0.081 31.806 31.700 0.041 0.000 0.923 204 A N 1.647 124.486 122.820 0.032 0.000 1.909 204 A HA -0.322 3.998 4.320 0.001 0.000 0.221 204 A C 2.136 179.751 177.584 0.051 0.000 1.223 204 A CA 2.110 54.169 52.037 0.037 0.000 0.658 204 A CB -1.446 17.575 19.000 0.035 0.000 0.831 204 A HN 0.691 nan 8.150 nan 0.000 0.462 205 Q N -0.928 118.904 119.800 0.053 0.000 2.061 205 Q HA -0.192 4.148 4.340 0.001 0.000 0.204 205 Q C 2.055 178.106 176.000 0.084 0.000 0.984 205 Q CA 2.029 57.877 55.803 0.075 0.000 0.846 205 Q CB -0.332 28.449 28.738 0.072 0.000 0.902 205 Q HN 0.539 nan 8.270 nan 0.000 0.421 206 L N 0.744 121.970 121.223 0.005 0.000 2.044 206 L HA 0.021 4.362 4.340 0.001 0.000 0.205 206 L C 2.398 179.316 176.870 0.081 0.000 1.075 206 L CA 2.030 56.843 54.840 -0.045 0.000 0.747 206 L CB -1.043 40.846 42.059 -0.284 0.000 0.903 206 L HN 0.216 nan 8.230 nan 0.000 0.435 207 A N -1.094 121.760 122.820 0.056 0.000 1.940 207 A HA -0.210 4.110 4.320 0.001 0.000 0.219 207 A C 2.260 179.906 177.584 0.102 0.000 1.176 207 A CA 2.064 54.146 52.037 0.075 0.000 0.631 207 A CB -0.876 18.151 19.000 0.045 0.000 0.814 207 A HN 0.615 nan 8.150 nan 0.000 0.446 208 S N -2.679 113.087 115.700 0.109 0.000 2.540 208 S HA 0.174 4.644 4.470 0.001 0.000 0.218 208 S C 0.303 174.990 174.600 0.146 0.000 0.977 208 S CA -0.471 57.787 58.200 0.096 0.000 0.918 208 S CB -0.518 62.722 63.200 0.065 0.000 0.806 208 S HN 0.413 nan 8.310 nan 0.000 0.496 209 Y N 3.677 124.033 120.300 0.093 0.000 2.677 209 Y HA 0.237 4.788 4.550 0.001 0.000 0.335 209 Y C 0.123 176.147 175.900 0.206 0.000 1.162 209 Y CA -0.433 57.756 58.100 0.149 0.000 1.483 209 Y CB -0.031 38.527 38.460 0.163 0.000 1.209 209 Y HN 0.297 nan 8.280 nan 0.000 0.528 210 E N 6.932 126.906 120.200 -0.377 0.000 2.204 210 E HA 0.441 4.791 4.350 0.001 0.000 0.276 210 E C -1.377 174.878 176.600 -0.575 0.000 0.974 210 E CA -0.742 55.403 56.400 -0.426 0.000 0.815 210 E CB 1.330 30.892 29.700 -0.230 0.000 1.119 210 E HN 0.525 nan 8.360 nan 0.000 0.393 211 F N -0.200 119.575 119.950 -0.292 0.000 2.613 211 F HA 0.382 4.910 4.527 0.001 0.000 0.310 211 F C 0.203 176.019 175.800 0.027 0.000 1.085 211 F CA -1.060 56.823 58.000 -0.196 0.000 0.945 211 F CB 1.083 39.982 39.000 -0.168 0.000 1.298 211 F HN 0.327 nan 8.300 nan 0.000 0.455 212 D N 0.156 120.704 120.400 0.245 0.000 2.398 212 D HA 0.163 4.803 4.640 0.001 0.000 0.210 212 D C -0.488 175.910 176.300 0.164 0.000 1.094 212 D CA 0.278 54.430 54.000 0.253 0.000 0.839 212 D CB 1.142 42.162 40.800 0.366 0.000 0.963 212 D HN 0.260 nan 8.370 nan 0.000 0.506 213 V N 1.544 121.558 119.914 0.167 0.000 2.623 213 V HA 0.331 4.451 4.120 0.001 0.000 0.304 213 V C -1.150 174.933 176.094 -0.018 0.000 1.054 213 V CA -0.962 61.303 62.300 -0.059 0.000 0.882 213 V CB 2.294 34.050 31.823 -0.111 0.000 1.002 213 V HN 0.098 nan 8.190 nan 0.000 0.424 214 L N 6.559 127.712 121.223 -0.116 0.000 2.319 214 L HA 0.663 5.004 4.340 0.001 0.000 0.281 214 L C -0.904 175.812 176.870 -0.256 0.000 1.005 214 L CA -0.038 54.663 54.840 -0.232 0.000 0.828 214 L CB 1.250 43.223 42.059 -0.143 0.000 1.227 214 L HN 0.436 nan 8.230 nan 0.000 0.415 215 I N 4.045 124.434 120.570 -0.301 0.000 2.330 215 I HA 0.331 4.501 4.170 0.001 0.000 0.289 215 I C -0.039 175.855 176.117 -0.371 0.000 1.001 215 I CA -0.198 60.933 61.300 -0.282 0.000 1.193 215 I CB 1.219 39.086 38.000 -0.223 0.000 1.345 215 I HN 0.573 nan 8.210 nan 0.000 0.461 216 S N 5.672 121.141 115.700 -0.385 0.000 2.410 216 S HA 0.578 5.049 4.470 0.001 0.000 0.304 216 S C 0.606 174.956 174.600 -0.416 0.000 1.095 216 S CA -0.477 57.420 58.200 -0.506 0.000 1.089 216 S CB 1.157 64.079 63.200 -0.464 0.000 0.968 216 S HN 0.711 nan 8.310 nan 0.000 0.480 217 A N 2.452 125.023 122.820 -0.415 0.000 2.956 217 A HA 0.641 4.961 4.320 0.001 0.000 0.294 217 A C 0.980 178.391 177.584 -0.289 0.000 0.993 217 A CA -0.393 51.468 52.037 -0.292 0.000 1.032 217 A CB -0.168 18.693 19.000 -0.232 0.000 1.129 217 A HN 0.797 nan 8.150 nan 0.000 0.505 218 A N -0.201 122.380 122.820 -0.397 0.000 2.307 218 A HA 0.550 4.871 4.320 0.001 0.000 0.218 218 A C 1.307 178.842 177.584 -0.081 0.000 1.228 218 A CA 0.795 52.616 52.037 -0.359 0.000 0.857 218 A CB -0.703 17.773 19.000 -0.874 0.000 0.897 218 A HN 2.252 nan 8.150 nan 0.000 0.495 219 G N -1.909 106.867 108.800 -0.041 0.000 2.728 219 G HA2 0.135 4.096 3.960 0.001 0.000 0.294 219 G HA3 0.135 4.096 3.960 0.001 0.000 0.294 219 G C 0.944 175.910 174.900 0.110 0.000 1.342 219 G CA -0.316 44.807 45.100 0.039 0.000 0.866 219 G HN 1.131 nan 8.290 nan 0.000 0.534 220 G N -0.515 108.357 108.800 0.121 0.000 2.442 220 G HA2 -0.090 3.871 3.960 0.001 0.000 0.219 220 G HA3 -0.090 3.871 3.960 0.001 0.000 0.219 220 G C 1.487 176.470 174.900 0.139 0.000 1.141 220 G CA 1.676 46.854 45.100 0.131 0.000 0.763 220 G HN 0.788 nan 8.290 nan 0.000 0.554 221 K N -0.828 119.668 120.400 0.160 0.000 2.379 221 K HA 0.165 4.486 4.320 0.001 0.000 0.194 221 K C 0.215 176.908 176.600 0.155 0.000 1.031 221 K CA -0.621 55.752 56.287 0.144 0.000 1.037 221 K CB 0.161 32.748 32.500 0.145 0.000 0.824 221 K HN 0.288 nan 8.250 nan 0.000 0.516 222 F N 1.862 121.838 119.950 0.043 0.000 2.538 222 F HA 0.017 4.545 4.527 0.001 0.000 0.371 222 F C -0.123 175.693 175.800 0.027 0.000 1.087 222 F CA -0.230 57.793 58.000 0.037 0.000 1.250 222 F CB 0.606 39.614 39.000 0.014 0.000 1.110 222 F HN -0.352 nan 8.300 nan 0.000 0.570 223 V N 8.750 128.296 119.914 -0.613 0.000 2.275 223 V HA 0.258 4.378 4.120 0.001 0.000 0.272 223 V C -1.924 173.802 176.094 -0.614 0.000 1.028 223 V CA -1.610 60.445 62.300 -0.409 0.000 0.810 223 V CB 0.571 32.266 31.823 -0.215 0.000 1.043 223 V HN 0.637 nan 8.190 nan 0.000 0.453 224 P HA 0.129 nan 4.420 nan 0.000 0.268 224 P C -0.240 177.154 177.300 0.157 0.000 1.204 224 P CA 0.017 63.102 63.100 -0.025 0.000 0.768 224 P CB 1.076 32.740 31.700 -0.060 0.000 0.842 225 E N 1.318 121.660 120.200 0.237 0.000 2.331 225 E HA 0.344 4.695 4.350 0.001 0.000 0.272 225 E C 1.155 177.893 176.600 0.231 0.000 1.036 225 E CA 0.156 56.674 56.400 0.196 0.000 0.864 225 E CB -0.051 29.752 29.700 0.172 0.000 1.035 225 E HN 0.734 nan 8.360 nan 0.000 0.408 226 G N 3.564 112.424 108.800 0.100 0.000 2.245 226 G HA2 -0.314 3.647 3.960 0.001 0.000 0.264 226 G HA3 -0.314 3.647 3.960 0.001 0.000 0.264 226 G C -0.026 174.797 174.900 -0.129 0.000 0.985 226 G CA 0.308 45.388 45.100 -0.032 0.000 0.625 226 G HN 0.485 nan 8.290 nan 0.000 0.536 227 F N 1.871 121.830 119.950 0.015 0.000 2.396 227 F HA 0.542 5.070 4.527 0.001 0.000 0.343 227 F C 1.087 176.896 175.800 0.015 0.000 1.104 227 F CA -0.047 57.960 58.000 0.013 0.000 1.161 227 F CB 1.579 40.586 39.000 0.012 0.000 1.146 227 F HN -0.097 nan 8.300 nan 0.000 0.522 228 T N 5.292 119.952 114.554 0.177 0.000 2.780 228 T HA 0.397 4.748 4.350 0.001 0.000 0.294 228 T C -0.073 174.714 174.700 0.145 0.000 0.949 228 T CA -0.309 61.865 62.100 0.124 0.000 1.074 228 T CB 0.218 69.136 68.868 0.083 0.000 0.910 228 T HN 0.117 nan 8.240 nan 0.000 0.501 229 I N 3.604 124.239 120.570 0.108 0.000 2.412 229 I HA 0.400 4.570 4.170 0.001 0.000 0.296 229 I C 0.582 176.743 176.117 0.074 0.000 0.987 229 I CA -0.912 60.444 61.300 0.094 0.000 1.180 229 I CB 1.486 39.528 38.000 0.071 0.000 1.340 229 I HN 0.475 nan 8.210 nan 0.000 0.455 230 R N 3.802 124.348 120.500 0.076 0.000 2.294 230 R HA 0.479 4.819 4.340 0.001 0.000 0.319 230 R C -0.335 175.993 176.300 0.047 0.000 0.984 230 R CA -0.520 55.614 56.100 0.057 0.000 0.861 230 R CB 1.652 31.987 30.300 0.059 0.000 1.104 230 R HN 0.560 nan 8.270 nan 0.000 0.451 231 E N 3.819 124.040 120.200 0.035 0.000 2.234 231 E HA 0.306 4.657 4.350 0.001 0.000 0.266 231 E C -1.350 175.261 176.600 0.019 0.000 0.877 231 E CA -0.680 55.736 56.400 0.028 0.000 0.758 231 E CB 1.683 31.401 29.700 0.029 0.000 1.170 231 E HN 0.398 nan 8.360 nan 0.000 0.415 232 M N 4.727 124.334 119.600 0.012 0.000 2.253 232 M HA 0.386 4.866 4.480 0.001 0.000 0.314 232 M C -1.074 175.226 176.300 0.000 0.000 1.019 232 M CA -0.769 54.533 55.300 0.003 0.000 0.932 232 M CB 1.325 33.922 32.600 -0.005 0.000 1.606 232 M HN 0.491 nan 8.290 nan 0.000 0.430 233 R N 3.496 123.998 120.500 0.002 0.000 2.210 233 R HA 0.480 4.821 4.340 0.001 0.000 0.338 233 R C 0.076 176.372 176.300 -0.006 0.000 1.062 233 R CA 0.039 56.140 56.100 0.002 0.000 0.902 233 R CB 0.629 30.933 30.300 0.007 0.000 1.050 233 R HN 0.927 nan 8.270 nan 0.000 0.461 234 G N 2.681 111.473 108.800 -0.013 0.000 2.543 234 G HA2 0.150 4.110 3.960 0.001 0.000 0.267 234 G HA3 0.150 4.110 3.960 0.001 0.000 0.267 234 G C -0.672 174.219 174.900 -0.014 0.000 1.406 234 G CA -0.669 44.418 45.100 -0.023 0.000 1.048 234 G HN 0.439 nan 8.290 nan 0.000 0.548 235 K N -0.051 120.338 120.400 -0.019 0.000 2.436 235 K HA 0.073 4.394 4.320 0.001 0.000 0.275 235 K C 0.104 176.705 176.600 0.001 0.000 0.999 235 K CA -0.536 55.744 56.287 -0.011 0.000 0.980 235 K CB 1.191 33.682 32.500 -0.015 0.000 0.919 235 K HN 0.251 nan 8.250 nan 0.000 0.484 236 L N 1.919 123.145 121.223 0.005 0.000 2.559 236 L HA 0.072 4.412 4.340 0.001 0.000 0.274 236 L C -0.412 176.475 176.870 0.028 0.000 1.205 236 L CA 0.733 55.582 54.840 0.015 0.000 0.907 236 L CB -0.171 41.890 42.059 0.004 0.000 1.153 236 L HN 0.722 nan 8.230 nan 0.000 0.490 237 A N 6.545 129.400 122.820 0.058 0.000 2.427 237 A HA 0.743 5.063 4.320 0.001 0.000 0.298 237 A C -1.020 176.610 177.584 0.076 0.000 1.036 237 A CA -0.500 51.595 52.037 0.096 0.000 0.701 237 A CB 0.880 19.990 19.000 0.183 0.000 1.250 237 A HN 0.632 nan 8.150 nan 0.000 0.412 238 I N 2.364 122.920 120.570 -0.025 0.000 2.382 238 I HA 0.508 4.678 4.170 0.001 0.000 0.286 238 I C 0.782 176.667 176.117 -0.387 0.000 1.002 238 I CA -0.390 60.810 61.300 -0.167 0.000 1.135 238 I CB 2.144 40.058 38.000 -0.142 0.000 1.288 238 I HN 0.735 nan 8.210 nan 0.000 0.448 239 G N 6.962 115.204 108.800 -0.930 0.000 2.367 239 G HA2 0.785 4.745 3.960 0.001 0.000 0.314 239 G HA3 0.785 4.745 3.960 0.001 0.000 0.314 239 G C -0.722 173.879 174.900 -0.499 0.000 1.130 239 G CA -0.383 43.851 45.100 -1.444 0.000 0.864 239 G HN 0.494 nan 8.290 nan 0.000 0.486 240 I N 1.122 121.591 120.570 -0.169 0.000 2.533 240 I HA 0.371 4.541 4.170 0.001 0.000 0.290 240 I C 0.055 176.298 176.117 0.208 0.000 1.056 240 I CA -0.755 60.583 61.300 0.063 0.000 1.057 240 I CB 2.792 40.823 38.000 0.051 0.000 1.240 240 I HN 0.606 nan 8.210 nan 0.000 0.423 241 T N 2.370 117.124 114.554 0.333 0.000 2.885 241 T HA 0.921 5.271 4.350 0.001 0.000 0.285 241 T C -0.602 174.225 174.700 0.212 0.000 1.019 241 T CA -0.797 61.474 62.100 0.284 0.000 1.010 241 T CB 2.227 71.386 68.868 0.485 0.000 1.022 241 T HN 0.754 nan 8.240 nan 0.000 0.466 242 A N 2.498 125.383 122.820 0.109 0.000 2.520 242 A HA 0.732 5.053 4.320 0.001 0.000 0.298 242 A C -1.072 176.518 177.584 0.010 0.000 1.051 242 A CA -1.023 51.054 52.037 0.066 0.000 0.690 242 A CB 1.373 20.400 19.000 0.045 0.000 1.281 242 A HN 0.786 nan 8.150 nan 0.000 0.402 243 N N 1.132 119.787 118.700 -0.076 0.000 2.372 243 N HA 0.637 5.378 4.740 0.001 0.000 0.285 243 N C -1.606 173.747 175.510 -0.261 0.000 1.008 243 N CA 0.112 53.166 53.050 0.006 0.000 0.880 243 N CB 1.344 39.914 38.487 0.139 0.000 1.239 243 N HN 0.488 nan 8.380 nan 0.000 0.484 244 F N 0.186 120.267 119.950 0.218 0.000 2.470 244 F HA 0.380 4.907 4.527 0.001 0.000 0.329 244 F C 0.851 176.738 175.800 0.146 0.000 1.072 244 F CA -1.042 57.032 58.000 0.124 0.000 0.989 244 F CB 0.933 39.978 39.000 0.076 0.000 1.193 244 F HN 0.008 nan 8.300 nan 0.000 0.481 245 V N 2.145 122.232 119.914 0.289 0.000 2.617 245 V HA -0.061 4.060 4.120 0.001 0.000 0.304 245 V C -0.027 176.171 176.094 0.174 0.000 1.040 245 V CA 0.047 62.451 62.300 0.174 0.000 1.149 245 V CB 0.225 32.134 31.823 0.144 0.000 0.914 245 V HN 0.668 nan 8.190 nan 0.000 0.487 246 N N 3.973 122.666 118.700 -0.012 0.000 2.511 246 N HA 0.352 5.092 4.740 0.001 0.000 0.249 246 N C 0.800 176.309 175.510 -0.001 0.000 0.971 246 N CA 0.047 52.980 53.050 -0.194 0.000 0.938 246 N CB 1.685 39.826 38.487 -0.577 0.000 1.131 246 N HN 0.634 nan 8.380 nan 0.000 0.505 247 G N 2.085 110.940 108.800 0.092 0.000 2.813 247 G HA2 -0.049 3.911 3.960 0.001 0.000 0.209 247 G HA3 -0.049 3.911 3.960 0.001 0.000 0.209 247 G C 0.273 175.214 174.900 0.068 0.000 1.150 247 G CA -0.232 44.915 45.100 0.078 0.000 0.785 247 G HN 0.835 nan 8.290 nan 0.000 0.535 248 R N -0.124 120.422 120.500 0.077 0.000 3.770 248 R HA -0.176 4.165 4.340 0.001 0.000 0.305 248 R C 0.555 176.896 176.300 0.067 0.000 1.184 248 R CA 0.755 56.895 56.100 0.067 0.000 0.823 248 R CB -3.067 27.256 30.300 0.039 0.000 1.285 248 R HN 0.559 nan 8.270 nan 0.000 0.499 249 T N -2.518 112.084 114.554 0.080 0.000 2.856 249 T HA 0.321 4.672 4.350 0.001 0.000 0.306 249 T C 1.998 176.733 174.700 0.058 0.000 1.062 249 T CA -0.325 61.812 62.100 0.061 0.000 1.083 249 T CB 1.552 70.455 68.868 0.057 0.000 0.984 249 T HN 0.203 nan 8.240 nan 0.000 0.542 250 V N -0.307 119.631 119.914 0.040 0.000 2.392 250 V HA -0.156 3.965 4.120 0.001 0.000 0.249 250 V C 2.313 178.430 176.094 0.039 0.000 1.059 250 V CA 1.885 64.206 62.300 0.034 0.000 1.051 250 V CB -1.397 30.439 31.823 0.021 0.000 0.658 250 V HN 0.865 nan 8.190 nan 0.000 0.455 251 E N 0.786 121.008 120.200 0.037 0.000 2.077 251 E HA -0.155 4.195 4.350 0.001 0.000 0.193 251 E C 2.246 178.874 176.600 0.046 0.000 0.989 251 E CA 1.704 58.123 56.400 0.031 0.000 0.800 251 E CB -0.383 29.329 29.700 0.019 0.000 0.746 251 E HN 0.772 nan 8.360 nan 0.000 0.452 252 E N -0.280 119.966 120.200 0.076 0.000 2.110 252 E HA -0.157 4.193 4.350 0.001 0.000 0.193 252 E C 2.087 178.781 176.600 0.157 0.000 0.988 252 E CA 1.603 58.076 56.400 0.122 0.000 0.804 252 E CB -0.156 29.680 29.700 0.225 0.000 0.745 252 E HN 0.420 nan 8.360 nan 0.000 0.458 253 T N -1.361 113.268 114.554 0.126 0.000 2.962 253 T HA -0.173 4.178 4.350 0.001 0.000 0.270 253 T C 1.778 176.532 174.700 0.089 0.000 1.088 253 T CA 0.908 63.075 62.100 0.112 0.000 1.127 253 T CB -0.076 68.834 68.868 0.070 0.000 0.883 253 T HN 0.089 nan 8.240 nan 0.000 0.493 254 Q N 0.506 120.347 119.800 0.069 0.000 2.297 254 Q HA 0.099 4.439 4.340 0.001 0.000 0.204 254 Q C 0.276 176.315 176.000 0.065 0.000 0.962 254 Q CA 0.286 56.119 55.803 0.050 0.000 0.879 254 Q CB -0.030 28.725 28.738 0.029 0.000 0.947 254 Q HN 0.424 nan 8.270 nan 0.000 0.462 255 V N 3.902 123.873 119.914 0.095 0.000 2.450 255 V HA 0.047 4.167 4.120 0.001 0.000 0.281 255 V C -2.081 174.132 176.094 0.198 0.000 1.019 255 V CA -1.097 61.278 62.300 0.124 0.000 1.062 255 V CB 0.042 31.927 31.823 0.102 0.000 0.979 255 V HN 0.123 nan 8.190 nan 0.000 0.477 256 P HA 0.178 nan 4.420 nan 0.000 0.271 256 P C 0.094 177.518 177.300 0.207 0.000 1.218 256 P CA -0.260 62.920 63.100 0.133 0.000 0.780 256 P CB 0.637 32.386 31.700 0.082 0.000 0.901 257 E N 1.157 121.397 120.200 0.066 0.000 2.409 257 E HA 0.232 4.583 4.350 0.001 0.000 0.257 257 E C -0.152 176.489 176.600 0.068 0.000 1.150 257 E CA -0.195 56.165 56.400 -0.067 0.000 0.942 257 E CB 0.379 30.013 29.700 -0.111 0.000 0.979 257 E HN 0.372 nan 8.360 nan 0.000 0.447 258 I N 1.704 122.307 120.570 0.055 0.000 2.420 258 I HA -0.001 4.169 4.170 0.001 0.000 0.282 258 I C 1.074 177.204 176.117 0.023 0.000 1.019 258 I CA -0.150 61.178 61.300 0.046 0.000 1.130 258 I CB 1.539 39.572 38.000 0.055 0.000 1.262 258 I HN 0.490 nan 8.210 nan 0.000 0.454 259 S N 3.743 119.478 115.700 0.057 0.000 2.428 259 S HA 0.272 4.742 4.470 0.001 0.000 0.230 259 S C 0.852 175.488 174.600 0.060 0.000 1.014 259 S CA 0.535 58.794 58.200 0.100 0.000 0.957 259 S CB 0.213 63.463 63.200 0.084 0.000 0.784 259 S HN 0.859 nan 8.310 nan 0.000 0.499 266 N N 1.710 120.552 118.700 0.237 0.000 2.322 266 N HA 0.190 4.930 4.740 0.001 0.000 0.216 266 N C -0.480 175.147 175.510 0.194 0.000 1.144 266 N CA 0.530 53.686 53.050 0.176 0.000 0.830 266 N CB 1.166 39.736 38.487 0.137 0.000 1.034 266 N HN 0.814 nan 8.380 nan 0.000 0.484 267 Q N -0.848 119.118 119.800 0.276 0.000 2.456 267 Q HA 0.341 4.682 4.340 0.001 0.000 0.283 267 Q C 0.237 176.376 176.000 0.230 0.000 1.084 267 Q CA -0.600 55.342 55.803 0.233 0.000 0.801 267 Q CB 1.442 30.306 28.738 0.210 0.000 1.434 267 Q HN -0.177 nan 8.270 nan 0.000 0.419 268 K N 0.203 120.706 120.400 0.172 0.000 2.432 268 K HA 0.049 4.369 4.320 0.001 0.000 0.196 268 K C 1.120 177.802 176.600 0.137 0.000 1.038 268 K CA 0.320 56.690 56.287 0.138 0.000 0.986 268 K CB -0.030 32.532 32.500 0.104 0.000 0.782 268 K HN 0.487 nan 8.250 nan 0.000 0.485 269 F N 0.726 120.669 119.950 -0.012 0.000 2.095 269 F HA -0.189 4.338 4.527 0.001 0.000 0.298 269 F C 1.366 177.079 175.800 -0.144 0.000 1.104 269 F CA 1.483 59.420 58.000 -0.105 0.000 1.232 269 F CB -0.102 38.718 39.000 -0.300 0.000 0.987 269 F HN -0.081 nan 8.300 nan 0.000 0.475 270 F N 0.656 120.638 119.950 0.053 0.000 2.259 270 F HA -0.107 4.420 4.527 0.001 0.000 0.298 270 F C 2.525 178.217 175.800 -0.180 0.000 1.088 270 F CA 1.345 59.287 58.000 -0.097 0.000 1.358 270 F CB -1.066 37.988 39.000 0.089 0.000 1.040 270 F HN 0.045 nan 8.300 nan 0.000 0.505 271 Q N -0.061 119.772 119.800 0.054 0.000 2.046 271 Q HA -0.165 4.176 4.340 0.001 0.000 0.200 271 Q C 2.499 178.428 176.000 -0.119 0.000 0.975 271 Q CA 2.078 57.870 55.803 -0.017 0.000 0.836 271 Q CB -0.283 28.469 28.738 0.023 0.000 0.896 271 Q HN 0.449 nan 8.270 nan 0.000 0.428 272 S N 0.551 116.170 115.700 -0.135 0.000 2.399 272 S HA -0.157 4.313 4.470 0.001 0.000 0.231 272 S C 1.896 176.244 174.600 -0.420 0.000 1.022 272 S CA 0.951 59.076 58.200 -0.125 0.000 0.983 272 S CB -0.376 62.854 63.200 0.051 0.000 0.803 272 S HN 0.312 nan 8.310 nan 0.000 0.480 273 L N 1.169 121.897 121.223 -0.824 0.000 2.017 273 L HA 0.112 4.452 4.340 0.001 0.000 0.208 273 L C 2.289 178.702 176.870 -0.761 0.000 1.073 273 L CA 1.659 55.665 54.840 -1.390 0.000 0.745 273 L CB -0.973 40.361 42.059 -1.208 0.000 0.894 273 L HN 0.394 nan 8.230 nan 0.000 0.432 274 L N -0.132 120.843 121.223 -0.413 0.000 2.083 274 L HA -0.198 4.142 4.340 0.001 0.000 0.209 274 L C 2.563 179.307 176.870 -0.211 0.000 1.083 274 L CA 1.920 56.613 54.840 -0.245 0.000 0.752 274 L CB -0.954 41.030 42.059 -0.125 0.000 0.899 274 L HN 0.379 nan 8.230 nan 0.000 0.433 275 K N 0.017 120.299 120.400 -0.198 0.000 2.002 275 K HA -0.128 4.193 4.320 0.001 0.000 0.209 275 K C 1.920 178.435 176.600 -0.141 0.000 1.048 275 K CA 1.620 57.829 56.287 -0.130 0.000 0.930 275 K CB -0.369 32.081 32.500 -0.085 0.000 0.714 275 K HN 0.422 nan 8.250 nan 0.000 0.438 276 A N 0.354 123.054 122.820 -0.201 0.000 1.969 276 A HA -0.102 4.219 4.320 0.001 0.000 0.218 276 A C 1.953 179.438 177.584 -0.165 0.000 1.169 276 A CA 2.384 54.336 52.037 -0.141 0.000 0.635 276 A CB -0.442 18.524 19.000 -0.057 0.000 0.810 276 A HN 0.662 nan 8.150 nan 0.000 0.445 277 T N -6.775 107.623 114.554 -0.261 0.000 2.954 277 T HA 0.437 4.788 4.350 0.001 0.000 0.252 277 T C 1.392 175.982 174.700 -0.184 0.000 0.983 277 T CA 1.063 63.024 62.100 -0.231 0.000 0.941 277 T CB 0.356 69.020 68.868 -0.339 0.000 1.141 277 T HN 1.708 nan 8.240 nan 0.000 0.500 278 G N 2.019 110.712 108.800 -0.179 0.000 2.159 278 G HA2 -0.167 3.794 3.960 0.001 0.000 0.256 278 G HA3 -0.167 3.794 3.960 0.001 0.000 0.256 278 G C 0.017 174.850 174.900 -0.112 0.000 0.977 278 G CA 0.044 45.075 45.100 -0.113 0.000 0.652 278 G HN 0.627 nan 8.290 nan 0.000 0.531 279 I N 1.426 121.867 120.570 -0.215 0.000 2.337 279 I HA 0.276 4.446 4.170 0.001 0.000 0.291 279 I C -0.393 175.653 176.117 -0.119 0.000 1.046 279 I CA -0.311 60.850 61.300 -0.232 0.000 1.324 279 I CB 1.267 38.970 38.000 -0.494 0.000 1.409 279 I HN 0.028 nan 8.210 nan 0.000 0.494 280 D N 8.370 128.774 120.400 0.006 0.000 2.454 280 D HA 0.457 5.098 4.640 0.001 0.000 0.225 280 D C -0.685 175.652 176.300 0.060 0.000 1.081 280 D CA -0.196 53.818 54.000 0.023 0.000 0.864 280 D CB 0.615 41.428 40.800 0.022 0.000 1.040 280 D HN 0.335 nan 8.370 nan 0.000 0.517 281 L N 2.725 123.983 121.223 0.059 0.000 2.330 281 L HA 0.453 4.794 4.340 0.001 0.000 0.271 281 L C 1.437 178.120 176.870 -0.312 0.000 1.013 281 L CA -0.732 54.123 54.840 0.025 0.000 0.816 281 L CB 2.045 44.257 42.059 0.255 0.000 1.287 281 L HN 0.339 nan 8.230 nan 0.000 0.435 282 E N 0.853 120.892 120.200 -0.268 0.000 2.251 282 E HA 0.026 4.377 4.350 0.001 0.000 0.194 282 E C -0.571 175.736 176.600 -0.488 0.000 0.964 282 E CA 0.388 56.568 56.400 -0.367 0.000 0.868 282 E CB 0.486 30.131 29.700 -0.090 0.000 0.828 282 E HN 0.737 nan 8.360 nan 0.000 0.481 283 N N -0.060 118.541 118.700 -0.165 0.000 2.710 283 N HA 0.459 5.199 4.740 0.001 0.000 0.257 283 N C -1.503 174.229 175.510 0.368 0.000 1.327 283 N CA -0.694 52.448 53.050 0.153 0.000 0.861 283 N CB 1.735 40.340 38.487 0.197 0.000 1.532 283 N HN -0.036 nan 8.380 nan 0.000 0.499 284 I N 0.289 121.133 120.570 0.457 0.000 2.802 284 I HA 0.706 4.877 4.170 0.001 0.000 0.298 284 I C -1.640 174.590 176.117 0.187 0.000 1.176 284 I CA -0.964 60.534 61.300 0.329 0.000 1.025 284 I CB 2.009 40.243 38.000 0.390 0.000 1.243 284 I HN 0.437 nan 8.210 nan 0.000 0.424 285 V N 6.379 126.359 119.914 0.111 0.000 2.709 285 V HA 0.421 4.541 4.120 0.001 0.000 0.308 285 V C -1.577 174.420 176.094 -0.161 0.000 1.062 285 V CA -0.630 61.622 62.300 -0.079 0.000 0.901 285 V CB 1.904 33.596 31.823 -0.218 0.000 1.003 285 V HN 0.563 nan 8.190 nan 0.000 0.425 286 Y N 5.611 125.670 120.300 -0.403 0.000 2.326 286 Y HA 0.727 5.278 4.550 0.001 0.000 0.329 286 Y C -1.781 173.904 175.900 -0.358 0.000 0.973 286 Y CA -1.568 56.159 58.100 -0.622 0.000 1.162 286 Y CB 1.274 39.391 38.460 -0.572 0.000 1.147 286 Y HN 0.552 nan 8.280 nan 0.000 0.456 287 Y N 4.705 124.710 120.300 -0.492 0.000 2.352 287 Y HA 0.398 4.948 4.550 0.001 0.000 0.339 287 Y C 0.084 175.576 175.900 -0.681 0.000 0.992 287 Y CA -1.705 55.982 58.100 -0.688 0.000 1.100 287 Y CB 1.661 39.683 38.460 -0.729 0.000 1.192 287 Y HN 0.511 nan 8.280 nan 0.000 0.458 288 K N 4.215 124.358 120.400 -0.429 0.000 2.231 288 K HA 0.158 4.478 4.320 0.001 0.000 0.275 288 K C -0.796 175.858 176.600 0.089 0.000 1.105 288 K CA 0.072 56.318 56.287 -0.069 0.000 0.931 288 K CB 0.232 32.734 32.500 0.004 0.000 1.296 288 K HN 0.872 nan 8.250 nan 0.000 0.446 289 D N 1.462 121.899 120.400 0.061 0.000 2.887 289 D HA 0.101 4.742 4.640 0.001 0.000 0.221 289 D C 0.498 176.841 176.300 0.071 0.000 1.276 289 D CA -0.247 53.821 54.000 0.113 0.000 1.078 289 D CB 1.142 41.965 40.800 0.039 0.000 1.217 289 D HN 0.355 nan 8.370 nan 0.000 0.631 290 E N -0.099 120.158 120.200 0.095 0.000 2.204 290 E HA -0.024 4.327 4.350 0.001 0.000 0.194 290 E C 0.774 177.397 176.600 0.039 0.000 0.989 290 E CA 0.880 57.331 56.400 0.086 0.000 0.824 290 E CB -0.086 29.688 29.700 0.123 0.000 0.756 290 E HN 0.473 nan 8.360 nan 0.000 0.477 291 T N -1.544 113.044 114.554 0.056 0.000 2.926 291 T HA 0.340 4.691 4.350 0.001 0.000 0.289 291 T C -0.057 174.692 174.700 0.081 0.000 1.054 291 T CA -0.882 61.255 62.100 0.062 0.000 1.015 291 T CB 1.510 70.470 68.868 0.154 0.000 1.167 291 T HN -0.051 nan 8.240 nan 0.000 0.526 292 H N 1.258 120.535 119.070 0.345 0.000 2.934 292 H HA 0.218 4.775 4.556 0.001 0.000 0.273 292 H C -1.031 174.597 175.328 0.499 0.000 1.121 292 H CA -0.134 56.192 56.048 0.463 0.000 1.451 292 H CB -0.303 29.748 29.762 0.481 0.000 1.469 292 H HN 0.646 nan 8.280 nan 0.000 0.476 293 Y N 4.173 124.624 120.300 0.251 0.000 2.342 293 Y HA 0.409 4.960 4.550 0.001 0.000 0.334 293 Y C -1.552 174.318 175.900 -0.051 0.000 1.067 293 Y CA -1.037 57.167 58.100 0.173 0.000 1.128 293 Y CB 0.721 39.229 38.460 0.080 0.000 1.200 293 Y HN 0.288 nan 8.280 nan 0.000 0.464 294 F N 5.377 124.989 119.950 -0.564 0.000 2.556 294 F HA 0.622 5.149 4.527 0.001 0.000 0.314 294 F C -0.931 174.438 175.800 -0.718 0.000 1.106 294 F CA -1.145 56.584 58.000 -0.452 0.000 0.911 294 F CB 2.069 41.056 39.000 -0.021 0.000 1.190 294 F HN 0.397 nan 8.300 nan 0.000 0.448 295 V N 6.015 125.767 119.914 -0.269 0.000 2.656 295 V HA 0.797 4.918 4.120 0.001 0.000 0.307 295 V C -0.968 175.223 176.094 0.160 0.000 1.051 295 V CA -0.545 61.764 62.300 0.015 0.000 0.893 295 V CB 1.880 33.825 31.823 0.204 0.000 0.999 295 V HN 0.785 nan 8.190 nan 0.000 0.426 296 M N 4.137 123.854 119.600 0.196 0.000 2.569 296 M HA 0.676 5.156 4.480 0.001 0.000 0.279 296 M C -1.388 175.005 176.300 0.154 0.000 1.253 296 M CA -0.462 54.968 55.300 0.216 0.000 0.867 296 M CB 2.377 35.127 32.600 0.250 0.000 1.727 296 M HN 0.400 nan 8.290 nan 0.000 0.467 297 T N 1.850 116.507 114.554 0.172 0.000 2.786 297 T HA 0.786 5.136 4.350 0.001 0.000 0.283 297 T C -0.589 174.169 174.700 0.097 0.000 0.992 297 T CA -0.516 61.654 62.100 0.116 0.000 0.954 297 T CB 1.375 70.397 68.868 0.257 0.000 0.934 297 T HN 0.776 nan 8.240 nan 0.000 0.440 298 A N 3.503 126.359 122.820 0.060 0.000 2.337 298 A HA 0.785 5.105 4.320 0.001 0.000 0.331 298 A C -0.255 177.349 177.584 0.034 0.000 1.137 298 A CA -0.980 51.116 52.037 0.099 0.000 0.807 298 A CB 0.862 19.961 19.000 0.164 0.000 1.250 298 A HN 0.548 nan 8.150 nan 0.000 0.468 299 K N 1.594 122.020 120.400 0.043 0.000 2.218 299 K HA 0.139 4.460 4.320 0.001 0.000 0.276 299 K C 0.927 177.526 176.600 -0.001 0.000 1.022 299 K CA -0.504 55.791 56.287 0.014 0.000 0.946 299 K CB 1.557 34.064 32.500 0.012 0.000 1.000 299 K HN 0.828 nan 8.250 nan 0.000 0.468 300 K N 2.213 122.601 120.400 -0.020 0.000 2.103 300 K HA -0.258 4.062 4.320 0.001 0.000 0.207 300 K C 1.491 178.075 176.600 -0.027 0.000 1.048 300 K CA 1.728 57.993 56.287 -0.038 0.000 0.930 300 K CB 0.250 32.730 32.500 -0.034 0.000 0.716 300 K HN 0.439 nan 8.250 nan 0.000 0.444 301 Q N 0.442 120.236 119.800 -0.010 0.000 2.124 301 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 301 Q C 2.354 178.359 176.000 0.009 0.000 0.977 301 Q CA 2.030 57.831 55.803 -0.004 0.000 0.850 301 Q CB -0.297 28.439 28.738 -0.002 0.000 0.901 301 Q HN 0.660 nan 8.270 nan 0.000 0.429 302 C N -1.540 117.779 119.300 0.032 0.000 2.446 302 C HA 0.099 4.559 4.460 0.001 0.000 0.279 302 C C 2.249 177.294 174.990 0.091 0.000 1.366 302 C CA -0.115 58.948 59.018 0.075 0.000 1.763 302 C CB -1.148 26.663 27.740 0.118 0.000 1.929 302 C HN 0.473 nan 8.230 nan 0.000 0.509 303 L N 0.572 121.800 121.223 0.008 0.000 2.056 303 L HA -0.069 4.272 4.340 0.001 0.000 0.207 303 L C 2.968 179.795 176.870 -0.073 0.000 1.078 303 L CA 1.472 56.243 54.840 -0.115 0.000 0.749 303 L CB -0.511 41.414 42.059 -0.224 0.000 0.901 303 L HN 0.356 nan 8.230 nan 0.000 0.433 304 L N -0.680 120.515 121.223 -0.047 0.000 2.056 304 L HA -0.211 4.130 4.340 0.001 0.000 0.207 304 L C 2.795 179.657 176.870 -0.013 0.000 1.078 304 L CA 1.178 55.998 54.840 -0.034 0.000 0.749 304 L CB -0.440 41.602 42.059 -0.028 0.000 0.901 304 L HN 0.201 nan 8.230 nan 0.000 0.433 305 R N 0.357 120.859 120.500 0.003 0.000 2.081 305 R HA -0.108 4.232 4.340 0.001 0.000 0.235 305 R C 1.931 178.246 176.300 0.024 0.000 1.131 305 R CA 1.216 57.323 56.100 0.012 0.000 0.960 305 R CB -0.068 30.243 30.300 0.017 0.000 0.856 305 R HN 0.304 nan 8.270 nan 0.000 0.436 306 L N -0.419 120.834 121.223 0.050 0.000 2.611 306 L HA 0.222 4.562 4.340 0.001 0.000 0.229 306 L C 0.953 177.855 176.870 0.054 0.000 1.137 306 L CA 0.457 55.344 54.840 0.079 0.000 0.901 306 L CB 0.487 42.660 42.059 0.190 0.000 1.098 306 L HN 0.625 nan 8.230 nan 0.000 0.456 307 G N -0.485 108.323 108.800 0.013 0.000 2.159 307 G HA2 -0.289 3.672 3.960 0.001 0.000 0.256 307 G HA3 -0.289 3.672 3.960 0.001 0.000 0.256 307 G C 0.774 175.655 174.900 -0.032 0.000 0.977 307 G CA 0.484 45.580 45.100 -0.007 0.000 0.652 307 G HN 0.157 nan 8.290 nan 0.000 0.531 308 V N 0.097 119.974 119.914 -0.063 0.000 2.358 308 V HA 0.157 4.277 4.120 0.001 0.000 0.246 308 V C 1.582 177.599 176.094 -0.128 0.000 1.047 308 V CA 1.864 64.086 62.300 -0.130 0.000 1.035 308 V CB -0.183 31.467 31.823 -0.288 0.000 0.658 308 V HN 0.418 nan 8.190 nan 0.000 0.452 309 L N -0.307 120.848 121.223 -0.112 0.000 2.322 309 L HA 0.442 4.782 4.340 0.001 0.000 0.281 309 L C 1.263 178.094 176.870 -0.064 0.000 1.014 309 L CA -0.438 54.345 54.840 -0.095 0.000 0.815 309 L CB 1.774 43.773 42.059 -0.100 0.000 1.247 309 L HN -0.014 nan 8.230 nan 0.000 0.421 310 R N 0.985 121.451 120.500 -0.056 0.000 2.073 310 R HA 0.019 4.359 4.340 0.001 0.000 0.229 310 R C -0.005 176.274 176.300 -0.034 0.000 1.120 310 R CA 1.111 57.187 56.100 -0.041 0.000 0.967 310 R CB 0.167 30.444 30.300 -0.038 0.000 0.862 310 R HN 0.619 nan 8.270 nan 0.000 0.436 311 Q N -0.013 119.765 119.800 -0.036 0.000 2.372 311 Q HA 0.118 4.458 4.340 0.001 0.000 0.273 311 Q C -1.563 174.419 176.000 -0.031 0.000 1.078 311 Q CA -0.671 55.114 55.803 -0.029 0.000 0.806 311 Q CB 2.286 31.009 28.738 -0.025 0.000 1.332 311 Q HN -0.105 nan 8.270 nan 0.000 0.435 312 D N 2.899 123.284 120.400 -0.026 0.000 2.498 312 D HA 0.166 4.807 4.640 0.001 0.000 0.229 312 D C -1.010 175.278 176.300 -0.021 0.000 1.188 312 D CA 0.131 54.116 54.000 -0.025 0.000 1.028 312 D CB -0.101 40.687 40.800 -0.020 0.000 1.087 312 D HN 0.349 nan 8.370 nan 0.000 0.510 313 L N 2.127 123.335 121.223 -0.024 0.000 2.289 313 L HA 0.199 4.540 4.340 0.001 0.000 0.285 313 L C 1.910 178.770 176.870 -0.017 0.000 1.049 313 L CA -0.622 54.207 54.840 -0.019 0.000 0.804 313 L CB 1.635 43.681 42.059 -0.021 0.000 1.195 313 L HN 0.224 nan 8.230 nan 0.000 0.428 314 S N 0.569 116.262 115.700 -0.012 0.000 2.423 314 S HA -0.032 4.439 4.470 0.001 0.000 0.231 314 S C 0.615 175.210 174.600 -0.007 0.000 1.014 314 S CA 0.340 58.535 58.200 -0.009 0.000 0.965 314 S CB -0.153 63.042 63.200 -0.007 0.000 0.785 314 S HN 0.592 nan 8.310 nan 0.000 0.495 315 E N 2.138 122.334 120.200 -0.007 0.000 2.223 315 E HA 0.253 4.604 4.350 0.001 0.000 0.282 315 E C 0.656 177.252 176.600 -0.006 0.000 1.046 315 E CA -0.051 56.346 56.400 -0.004 0.000 0.857 315 E CB 1.007 30.706 29.700 -0.003 0.000 1.055 315 E HN 0.264 nan 8.360 nan 0.000 0.409 316 T N 1.963 116.516 114.554 -0.002 0.000 2.759 316 T HA -0.191 4.159 4.350 0.001 0.000 0.269 316 T C 1.171 175.869 174.700 -0.004 0.000 1.042 316 T CA 1.795 63.894 62.100 -0.002 0.000 1.140 316 T CB -0.055 68.818 68.868 0.009 0.000 0.864 316 T HN 0.515 nan 8.240 nan 0.000 0.455 317 D N 1.292 121.693 120.400 0.003 0.000 2.269 317 D HA -0.100 4.540 4.640 0.001 0.000 0.208 317 D C 1.934 178.230 176.300 -0.008 0.000 0.963 317 D CA 0.865 54.867 54.000 0.004 0.000 0.864 317 D CB -0.467 40.342 40.800 0.015 0.000 0.936 317 D HN 0.412 nan 8.370 nan 0.000 0.505 318 Q N -0.377 119.416 119.800 -0.011 0.000 2.062 318 Q HA 0.025 4.366 4.340 0.001 0.000 0.196 318 Q C 2.291 178.274 176.000 -0.029 0.000 0.967 318 Q CA 0.503 56.296 55.803 -0.017 0.000 0.832 318 Q CB -0.169 28.560 28.738 -0.014 0.000 0.899 318 Q HN 0.199 nan 8.270 nan 0.000 0.442 319 L N 0.779 121.984 121.223 -0.030 0.000 2.021 319 L HA -0.203 4.138 4.340 0.001 0.000 0.215 319 L C 1.634 178.467 176.870 -0.060 0.000 1.074 319 L CA 1.775 56.590 54.840 -0.043 0.000 0.760 319 L CB -0.124 41.911 42.059 -0.039 0.000 0.889 319 L HN 0.188 nan 8.230 nan 0.000 0.433 320 L N -0.868 120.319 121.223 -0.059 0.000 2.667 320 L HA 0.303 4.643 4.340 0.001 0.000 0.232 320 L C 1.145 177.966 176.870 -0.083 0.000 1.138 320 L CA -0.147 54.642 54.840 -0.085 0.000 0.921 320 L CB -0.713 41.295 42.059 -0.084 0.000 1.180 320 L HN 0.281 nan 8.230 nan 0.000 0.487 321 G N 0.082 108.847 108.800 -0.058 0.000 2.594 321 G HA2 0.006 3.967 3.960 0.001 0.000 0.243 321 G HA3 0.006 3.967 3.960 0.001 0.000 0.243 321 G C 0.796 175.660 174.900 -0.061 0.000 1.229 321 G CA -0.284 44.786 45.100 -0.049 0.000 0.843 321 G HN 0.119 nan 8.290 nan 0.000 0.578 322 K N 0.658 121.026 120.400 -0.054 0.000 2.160 322 K HA -0.159 4.161 4.320 0.001 0.000 0.206 322 K C 2.524 179.093 176.600 -0.051 0.000 1.047 322 K CA 1.657 57.910 56.287 -0.056 0.000 0.930 322 K CB -0.203 32.273 32.500 -0.040 0.000 0.720 322 K HN 0.476 nan 8.250 nan 0.000 0.450 323 A N 0.603 123.398 122.820 -0.041 0.000 2.014 323 A HA -0.109 4.212 4.320 0.001 0.000 0.218 323 A C 1.721 179.279 177.584 -0.042 0.000 1.163 323 A CA 1.570 53.585 52.037 -0.036 0.000 0.652 323 A CB -0.335 18.648 19.000 -0.027 0.000 0.808 323 A HN 0.403 nan 8.150 nan 0.000 0.449 324 N N -1.012 117.657 118.700 -0.051 0.000 2.325 324 N HA 0.068 4.808 4.740 0.001 0.000 0.182 324 N C -0.432 175.035 175.510 -0.072 0.000 1.088 324 N CA 0.274 53.290 53.050 -0.056 0.000 0.879 324 N CB 0.373 38.828 38.487 -0.054 0.000 0.983 324 N HN 0.104 nan 8.380 nan 0.000 0.471 325 V N 1.593 121.457 119.914 -0.083 0.000 2.370 325 V HA 0.330 4.450 4.120 0.001 0.000 0.279 325 V C -0.155 175.886 176.094 -0.089 0.000 1.029 325 V CA -0.947 61.292 62.300 -0.103 0.000 0.870 325 V CB 1.538 33.284 31.823 -0.129 0.000 0.984 325 V HN -0.184 nan 8.190 nan 0.000 0.451 326 V N 7.869 127.732 119.914 -0.086 0.000 2.368 326 V HA 0.202 4.322 4.120 0.001 0.000 0.266 326 V C -1.377 174.669 176.094 -0.079 0.000 1.045 326 V CA -1.167 61.092 62.300 -0.070 0.000 0.899 326 V CB 1.241 33.032 31.823 -0.053 0.000 1.006 326 V HN 0.734 nan 8.190 nan 0.000 0.470 327 P HA -0.095 nan 4.420 nan 0.000 0.217 327 P C 1.378 178.614 177.300 -0.107 0.000 1.150 327 P CA 0.933 63.968 63.100 -0.108 0.000 0.832 327 P CB 0.388 32.025 31.700 -0.106 0.000 0.787 328 E N -0.227 119.931 120.200 -0.071 0.000 2.072 328 E HA -0.103 4.247 4.350 0.001 0.000 0.191 328 E C 2.095 178.687 176.600 -0.013 0.000 0.985 328 E CA 1.496 57.868 56.400 -0.047 0.000 0.801 328 E CB -1.216 28.470 29.700 -0.024 0.000 0.750 328 E HN 0.186 nan 8.360 nan 0.000 0.452 329 A N 0.996 123.810 122.820 -0.010 0.000 1.929 329 A HA -0.094 4.226 4.320 0.001 0.000 0.216 329 A C 2.202 179.819 177.584 0.055 0.000 1.176 329 A CA 0.988 53.040 52.037 0.025 0.000 0.628 329 A CB -0.516 18.486 19.000 0.005 0.000 0.816 329 A HN 0.241 nan 8.150 nan 0.000 0.444 330 L N 0.030 121.244 121.223 -0.015 0.000 2.042 330 L HA -0.216 4.124 4.340 0.001 0.000 0.210 330 L C 2.420 179.346 176.870 0.094 0.000 1.076 330 L CA 2.349 57.178 54.840 -0.017 0.000 0.749 330 L CB -0.879 41.117 42.059 -0.104 0.000 0.893 330 L HN 0.510 nan 8.230 nan 0.000 0.432 331 Q N -0.883 118.916 119.800 -0.001 0.000 2.030 331 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 331 Q C 2.355 178.565 176.000 0.350 0.000 0.986 331 Q CA 2.092 57.916 55.803 0.034 0.000 0.843 331 Q CB -0.227 28.362 28.738 -0.248 0.000 0.904 331 Q HN 0.473 nan 8.270 nan 0.000 0.420 332 R N -0.428 120.202 120.500 0.218 0.000 2.091 332 R HA -0.162 4.178 4.340 0.001 0.000 0.238 332 R C 2.135 178.553 176.300 0.196 0.000 1.136 332 R CA 1.448 57.664 56.100 0.193 0.000 0.959 332 R CB -0.429 29.942 30.300 0.119 0.000 0.856 332 R HN 0.243 nan 8.270 nan 0.000 0.437 333 F N 1.225 121.217 119.950 0.070 0.000 2.075 333 F HA -0.236 4.291 4.527 0.001 0.000 0.297 333 F C 2.387 178.227 175.800 0.067 0.000 1.113 333 F CA 1.725 59.750 58.000 0.042 0.000 1.218 333 F CB -0.272 38.741 39.000 0.021 0.000 0.984 333 F HN 0.004 nan 8.300 nan 0.000 0.472 334 A N 0.256 123.344 122.820 0.447 0.000 1.902 334 A HA -0.207 4.114 4.320 0.001 0.000 0.217 334 A C 2.262 179.955 177.584 0.182 0.000 1.181 334 A CA 1.760 54.010 52.037 0.355 0.000 0.623 334 A CB -0.852 18.427 19.000 0.465 0.000 0.818 334 A HN 0.488 nan 8.150 nan 0.000 0.443 335 R N -0.423 120.222 120.500 0.241 0.000 2.075 335 R HA -0.044 4.296 4.340 0.001 0.000 0.232 335 R C 2.251 178.423 176.300 -0.214 0.000 1.126 335 R CA 1.423 57.480 56.100 -0.071 0.000 0.963 335 R CB -0.399 29.902 30.300 0.002 0.000 0.858 335 R HN 0.420 nan 8.270 nan 0.000 0.435 336 A N 0.571 123.315 122.820 -0.126 0.000 1.902 336 A HA -0.071 4.249 4.320 0.001 0.000 0.217 336 A C 2.330 179.788 177.584 -0.210 0.000 1.181 336 A CA 1.602 53.539 52.037 -0.167 0.000 0.623 336 A CB -0.766 18.138 19.000 -0.161 0.000 0.818 336 A HN 0.531 nan 8.150 nan 0.000 0.443 337 A N -0.171 122.488 122.820 -0.269 0.000 1.873 337 A HA 0.212 4.532 4.320 0.001 0.000 0.215 337 A C 2.512 179.968 177.584 -0.214 0.000 1.186 337 A CA 1.985 53.886 52.037 -0.228 0.000 0.616 337 A CB -1.014 17.848 19.000 -0.229 0.000 0.823 337 A HN 1.000 nan 8.150 nan 0.000 0.442 338 A N 0.121 122.658 122.820 -0.471 0.000 1.877 338 A HA -0.192 4.129 4.320 0.001 0.000 0.216 338 A C 1.820 179.031 177.584 -0.621 0.000 1.186 338 A CA 2.178 53.628 52.037 -0.979 0.000 0.620 338 A CB -0.831 17.079 19.000 -1.817 0.000 0.822 338 A HN 0.580 nan 8.150 nan 0.000 0.443 339 D N -1.392 118.709 120.400 -0.498 0.000 2.116 339 D HA -0.224 4.416 4.640 0.001 0.000 0.193 339 D C 1.667 177.837 176.300 -0.216 0.000 0.998 339 D CA 1.805 55.602 54.000 -0.337 0.000 0.836 339 D CB -0.281 40.360 40.800 -0.265 0.000 0.951 339 D HN 0.394 nan 8.370 nan 0.000 0.449 340 F N 0.616 120.401 119.950 -0.275 0.000 2.113 340 F HA -0.038 4.490 4.527 0.001 0.000 0.297 340 F C 2.276 177.929 175.800 -0.246 0.000 1.103 340 F CA 1.595 59.445 58.000 -0.250 0.000 1.248 340 F CB -0.502 38.346 39.000 -0.253 0.000 0.999 340 F HN 0.051 nan 8.300 nan 0.000 0.475 341 A N -0.615 122.291 122.820 0.144 0.000 1.948 341 A HA -0.241 4.080 4.320 0.001 0.000 0.220 341 A C 1.945 179.437 177.584 -0.155 0.000 1.177 341 A CA 2.299 54.426 52.037 0.151 0.000 0.636 341 A CB -1.516 17.608 19.000 0.208 0.000 0.815 341 A HN 0.493 nan 8.150 nan 0.000 0.449 342 T N -5.301 109.145 114.554 -0.180 0.000 3.145 342 T HA 0.223 4.573 4.350 0.001 0.000 0.255 342 T C 0.367 175.018 174.700 -0.081 0.000 1.039 342 T CA 0.378 62.407 62.100 -0.117 0.000 0.928 342 T CB -0.490 68.264 68.868 -0.189 0.000 1.029 342 T HN 0.604 nan 8.240 nan 0.000 0.554 343 H N 0.942 119.900 119.070 -0.187 0.000 2.776 343 H HA -0.221 4.336 4.556 0.001 0.000 0.300 343 H C 1.646 176.859 175.328 -0.193 0.000 1.161 343 H CA 0.934 56.843 56.048 -0.233 0.000 1.147 343 H CB -1.877 27.773 29.762 -0.186 0.000 1.366 343 H HN 0.877 nan 8.280 nan 0.000 0.397 344 G N -0.186 108.532 108.800 -0.137 0.000 2.189 344 G HA2 -0.390 3.571 3.960 0.001 0.000 0.267 344 G HA3 -0.390 3.571 3.960 0.001 0.000 0.267 344 G C 1.265 176.094 174.900 -0.117 0.000 0.975 344 G CA 0.723 45.741 45.100 -0.137 0.000 0.644 344 G HN 0.379 nan 8.290 nan 0.000 0.537 345 K N -0.118 120.225 120.400 -0.095 0.000 2.486 345 K HA 0.288 4.609 4.320 0.001 0.000 0.194 345 K C 2.170 178.708 176.600 -0.104 0.000 1.033 345 K CA 0.341 56.583 56.287 -0.075 0.000 1.004 345 K CB -0.084 32.394 32.500 -0.037 0.000 0.798 345 K HN 0.541 nan 8.250 nan 0.000 0.495 346 L N -0.012 121.105 121.223 -0.177 0.000 2.591 346 L HA 0.068 4.409 4.340 0.001 0.000 0.228 346 L C 1.042 177.812 176.870 -0.167 0.000 1.133 346 L CA 0.123 54.825 54.840 -0.229 0.000 0.880 346 L CB -0.576 41.228 42.059 -0.424 0.000 1.033 346 L HN 0.275 nan 8.230 nan 0.000 0.450 347 G N 0.975 109.695 108.800 -0.134 0.000 2.569 347 G HA2 -0.358 3.603 3.960 0.001 0.000 0.259 347 G HA3 -0.358 3.603 3.960 0.001 0.000 0.259 347 G C -0.047 174.774 174.900 -0.132 0.000 1.263 347 G CA -0.229 44.809 45.100 -0.102 0.000 0.928 347 G HN 0.246 nan 8.290 nan 0.000 0.572 348 K N 0.450 120.794 120.400 -0.094 0.000 2.363 348 K HA 0.398 4.719 4.320 0.001 0.000 0.289 348 K C 0.598 177.128 176.600 -0.117 0.000 1.063 348 K CA -0.352 55.876 56.287 -0.099 0.000 0.967 348 K CB -0.236 32.234 32.500 -0.049 0.000 0.987 348 K HN 0.413 nan 8.250 nan 0.000 0.473 349 L N 4.684 125.772 121.223 -0.225 0.000 2.410 349 L HA 0.114 4.455 4.340 0.001 0.000 0.273 349 L C 0.314 177.132 176.870 -0.088 0.000 1.152 349 L CA 0.042 54.697 54.840 -0.308 0.000 0.855 349 L CB 0.653 42.184 42.059 -0.881 0.000 1.129 349 L HN 0.569 nan 8.230 nan 0.000 0.463 350 E N 3.533 123.788 120.200 0.091 0.000 2.176 350 E HA 0.316 4.666 4.350 0.001 0.000 0.267 350 E C -0.782 176.009 176.600 0.317 0.000 0.893 350 E CA -0.720 55.797 56.400 0.194 0.000 0.761 350 E CB 1.724 31.516 29.700 0.154 0.000 1.133 350 E HN 0.190 nan 8.360 nan 0.000 0.409 351 F N 1.518 121.650 119.950 0.302 0.000 2.572 351 F HA 0.102 4.630 4.527 0.001 0.000 0.370 351 F C 1.331 177.153 175.800 0.037 0.000 1.103 351 F CA 0.136 58.176 58.000 0.067 0.000 1.286 351 F CB 0.444 39.422 39.000 -0.036 0.000 1.105 351 F HN 0.425 nan 8.300 nan 0.000 0.583 352 A N 3.810 126.719 122.820 0.149 0.000 2.346 352 A HA 0.279 4.600 4.320 0.001 0.000 0.252 352 A C -0.145 177.464 177.584 0.042 0.000 1.089 352 A CA -0.527 51.550 52.037 0.067 0.000 0.797 352 A CB 0.252 19.250 19.000 -0.004 0.000 1.047 352 A HN 0.785 nan 8.150 nan 0.000 0.494 353 Q N 0.145 119.933 119.800 -0.020 0.000 2.235 353 Q HA 0.348 4.688 4.340 0.001 0.000 0.250 353 Q C -0.582 175.374 176.000 -0.073 0.000 0.909 353 Q CA -0.655 55.135 55.803 -0.022 0.000 0.910 353 Q CB 1.218 29.953 28.738 -0.006 0.000 1.223 353 Q HN 0.855 nan 8.270 nan 0.000 0.432 354 D N 0.616 121.010 120.400 -0.009 0.000 2.414 354 D HA 0.117 4.758 4.640 0.001 0.000 0.259 354 D C 0.706 177.060 176.300 0.090 0.000 1.269 354 D CA -0.041 53.993 54.000 0.056 0.000 1.028 354 D CB 0.351 41.204 40.800 0.089 0.000 1.093 354 D HN 0.493 nan 8.370 nan 0.000 0.545 355 A N -0.294 122.626 122.820 0.166 0.000 1.986 355 A HA -0.246 4.075 4.320 0.001 0.000 0.220 355 A C 2.064 179.693 177.584 0.076 0.000 1.171 355 A CA 1.542 53.661 52.037 0.137 0.000 0.640 355 A CB -0.658 18.415 19.000 0.121 0.000 0.811 355 A HN 0.577 nan 8.150 nan 0.000 0.451 356 R N -1.789 118.747 120.500 0.059 0.000 2.297 356 R HA 0.239 4.580 4.340 0.001 0.000 0.197 356 R C 1.303 177.618 176.300 0.025 0.000 0.943 356 R CA 0.552 56.674 56.100 0.037 0.000 1.038 356 R CB -0.035 30.283 30.300 0.030 0.000 0.957 356 R HN 0.722 nan 8.270 nan 0.000 0.484 357 G N 1.531 110.346 108.800 0.025 0.000 2.176 357 G HA2 -0.281 3.679 3.960 0.001 0.000 0.232 357 G HA3 -0.281 3.679 3.960 0.001 0.000 0.232 357 G C -0.002 174.900 174.900 0.004 0.000 0.986 357 G CA -0.360 44.749 45.100 0.016 0.000 0.643 357 G HN 0.242 nan 8.290 nan 0.000 0.522 358 R N 0.751 121.249 120.500 -0.004 0.000 2.531 358 R HA 0.465 4.805 4.340 0.001 0.000 0.273 358 R C -2.478 173.794 176.300 -0.047 0.000 1.070 358 R CA -1.804 54.278 56.100 -0.031 0.000 1.112 358 R CB 0.377 30.653 30.300 -0.040 0.000 1.049 358 R HN 0.051 nan 8.270 nan 0.000 0.508 359 P HA -0.119 nan 4.420 nan 0.000 0.262 359 P C -0.767 176.432 177.300 -0.169 0.000 1.182 359 P CA 0.408 63.406 63.100 -0.170 0.000 0.761 359 P CB 0.368 31.792 31.700 -0.459 0.000 0.795 360 D N 3.973 124.355 120.400 -0.030 0.000 2.483 360 D HA 0.233 4.874 4.640 0.001 0.000 0.220 360 D C -1.065 175.262 176.300 0.045 0.000 1.173 360 D CA 0.134 54.147 54.000 0.022 0.000 0.964 360 D CB -0.261 40.571 40.800 0.052 0.000 1.046 360 D HN -0.035 nan 8.370 nan 0.000 0.517 361 V N 1.815 121.707 119.914 -0.036 0.000 2.932 361 V HA 0.866 4.986 4.120 0.001 0.000 0.307 361 V C -1.642 174.441 176.094 -0.019 0.000 1.147 361 V CA -0.322 61.983 62.300 0.008 0.000 0.951 361 V CB 1.687 33.474 31.823 -0.060 0.000 1.031 361 V HN 0.584 nan 8.190 nan 0.000 0.426 362 A N 4.427 127.261 122.820 0.024 0.000 2.604 362 A HA 1.002 5.322 4.320 0.001 0.000 0.295 362 A C -0.765 176.671 177.584 -0.246 0.000 1.067 362 A CA -0.111 51.839 52.037 -0.147 0.000 0.683 362 A CB 1.774 20.678 19.000 -0.160 0.000 1.281 362 A HN 2.178 nan 8.150 nan 0.000 0.407 363 A N 0.729 123.270 122.820 -0.465 0.000 2.324 363 A HA 0.915 5.235 4.320 0.001 0.000 0.330 363 A C -1.061 176.120 177.584 -0.670 0.000 1.165 363 A CA -0.304 51.489 52.037 -0.407 0.000 0.813 363 A CB 0.283 19.110 19.000 -0.288 0.000 1.197 363 A HN 0.917 nan 8.150 nan 0.000 0.484 364 F N 0.009 119.864 119.950 -0.159 0.000 2.599 364 F HA 0.347 4.875 4.527 0.001 0.000 0.311 364 F C -0.099 175.611 175.800 -0.151 0.000 1.076 364 F CA -0.745 57.192 58.000 -0.106 0.000 0.937 364 F CB 1.854 40.833 39.000 -0.035 0.000 1.282 364 F HN 0.537 nan 8.300 nan 0.000 0.460 365 D N 1.422 121.936 120.400 0.190 0.000 2.344 365 D HA 0.124 4.764 4.640 0.001 0.000 0.253 365 D C 0.037 176.525 176.300 0.313 0.000 1.255 365 D CA 0.339 54.433 54.000 0.157 0.000 0.894 365 D CB 0.118 40.985 40.800 0.113 0.000 1.067 365 D HN 0.252 nan 8.370 nan 0.000 0.492 366 F N 2.054 122.001 119.950 -0.006 0.000 2.693 366 F HA 0.093 4.620 4.527 0.001 0.000 0.303 366 F C 2.109 177.935 175.800 0.044 0.000 1.097 366 F CA -0.049 57.962 58.000 0.019 0.000 1.330 366 F CB -0.283 38.789 39.000 0.120 0.000 1.067 366 F HN 0.289 nan 8.300 nan 0.000 0.565 367 T N -1.462 113.200 114.554 0.180 0.000 2.770 367 T HA -0.028 4.323 4.350 0.001 0.000 0.258 367 T C 1.027 175.750 174.700 0.039 0.000 1.039 367 T CA 0.867 63.017 62.100 0.084 0.000 1.143 367 T CB -0.116 68.787 68.868 0.058 0.000 0.866 367 T HN -0.052 nan 8.240 nan 0.000 0.428 368 S N 2.107 117.833 115.700 0.044 0.000 2.499 368 S HA 0.525 4.996 4.470 0.001 0.000 0.279 368 S C -0.424 174.185 174.600 0.016 0.000 1.219 368 S CA -0.529 57.686 58.200 0.024 0.000 1.062 368 S CB 0.633 63.852 63.200 0.032 0.000 0.978 368 S HN 0.142 nan 8.310 nan 0.000 0.489 369 M N 3.670 123.272 119.600 0.004 0.000 2.311 369 M HA 0.505 4.986 4.480 0.001 0.000 0.325 369 M C -0.631 175.682 176.300 0.021 0.000 1.061 369 M CA -0.274 55.029 55.300 0.006 0.000 0.957 369 M CB 1.232 33.822 32.600 -0.017 0.000 1.646 369 M HN 0.494 nan 8.290 nan 0.000 0.434 370 M N 3.791 123.413 119.600 0.037 0.000 2.456 370 M HA 0.660 5.140 4.480 0.001 0.000 0.324 370 M C -0.433 175.906 176.300 0.065 0.000 1.124 370 M CA -0.684 54.645 55.300 0.049 0.000 0.959 370 M CB 2.994 35.625 32.600 0.052 0.000 1.692 370 M HN 0.634 nan 8.290 nan 0.000 0.444 371 R N 1.016 121.563 120.500 0.078 0.000 2.584 371 R HA 0.832 5.173 4.340 0.001 0.000 0.276 371 R C -1.266 175.120 176.300 0.144 0.000 1.046 371 R CA -0.894 55.277 56.100 0.119 0.000 0.906 371 R CB 1.403 31.777 30.300 0.123 0.000 1.215 371 R HN 0.707 nan 8.270 nan 0.000 0.449 372 A N 1.607 124.527 122.820 0.166 0.000 2.445 372 A HA 0.074 4.394 4.320 0.001 0.000 0.242 372 A C 0.773 178.521 177.584 0.272 0.000 1.075 372 A CA -0.224 51.910 52.037 0.162 0.000 0.777 372 A CB 0.421 19.448 19.000 0.044 0.000 1.013 372 A HN 1.050 nan 8.150 nan 0.000 0.493 373 E N 0.455 120.794 120.200 0.231 0.000 2.150 373 E HA -0.066 4.285 4.350 0.001 0.000 0.193 373 E C 0.631 177.422 176.600 0.318 0.000 0.985 373 E CA 1.197 57.736 56.400 0.233 0.000 0.814 373 E CB 0.082 29.873 29.700 0.152 0.000 0.752 373 E HN 0.794 nan 8.360 nan 0.000 0.466 374 S N -1.436 114.430 115.700 0.277 0.000 2.569 374 S HA 0.254 4.725 4.470 0.001 0.000 0.280 374 S C 0.395 174.986 174.600 -0.014 0.000 1.111 374 S CA -0.273 58.048 58.200 0.202 0.000 0.887 374 S CB 1.711 65.007 63.200 0.159 0.000 1.095 374 S HN 0.060 nan 8.310 nan 0.000 0.476 375 S N 0.451 115.956 115.700 -0.324 0.000 2.548 375 S HA 0.588 5.058 4.470 0.001 0.000 0.215 375 S C 0.565 175.129 174.600 -0.060 0.000 0.976 375 S CA 0.108 58.032 58.200 -0.459 0.000 0.908 375 S CB -0.350 62.397 63.200 -0.754 0.000 0.781 375 S HN 1.562 nan 8.310 nan 0.000 0.519 376 A N 0.567 123.487 122.820 0.168 0.000 2.612 376 A HA 0.846 5.167 4.320 0.001 0.000 0.293 376 A C -0.778 176.857 177.584 0.086 0.000 1.075 376 A CA -1.077 51.076 52.037 0.193 0.000 0.680 376 A CB 1.327 20.338 19.000 0.017 0.000 1.279 376 A HN 0.320 nan 8.150 nan 0.000 0.411 377 R N -0.511 119.964 120.500 -0.042 0.000 2.799 377 R HA 0.735 5.075 4.340 0.001 0.000 0.270 377 R C -1.711 174.493 176.300 -0.161 0.000 1.010 377 R CA -0.793 55.179 56.100 -0.214 0.000 0.916 377 R CB 2.528 32.501 30.300 -0.545 0.000 1.228 377 R HN 0.498 nan 8.270 nan 0.000 0.469 378 V N 1.644 121.504 119.914 -0.089 0.000 2.656 378 V HA 0.395 4.516 4.120 0.001 0.000 0.307 378 V C -0.754 175.402 176.094 0.104 0.000 1.051 378 V CA -0.819 61.456 62.300 -0.042 0.000 0.893 378 V CB 1.921 33.713 31.823 -0.052 0.000 0.999 378 V HN 0.648 nan 8.190 nan 0.000 0.426 379 Q N 2.741 122.542 119.800 0.003 0.000 2.365 379 Q HA 0.616 4.956 4.340 0.001 0.000 0.269 379 Q C -1.002 175.155 176.000 0.261 0.000 1.061 379 Q CA -0.640 55.205 55.803 0.071 0.000 0.816 379 Q CB 3.052 31.698 28.738 -0.153 0.000 1.325 379 Q HN 0.685 nan 8.270 nan 0.000 0.446 380 E N 2.620 123.053 120.200 0.388 0.000 2.272 380 E HA 0.433 4.784 4.350 0.001 0.000 0.269 380 E C -1.844 174.961 176.600 0.342 0.000 0.877 380 E CA -0.503 56.163 56.400 0.443 0.000 0.755 380 E CB 1.980 31.898 29.700 0.363 0.000 1.192 380 E HN 0.540 nan 8.360 nan 0.000 0.422 381 K N 2.884 123.460 120.400 0.293 0.000 2.543 381 K HA 0.267 4.588 4.320 0.001 0.000 0.255 381 K C -0.765 175.817 176.600 -0.030 0.000 0.934 381 K CA -0.499 55.780 56.287 -0.013 0.000 0.810 381 K CB 0.688 33.107 32.500 -0.135 0.000 1.315 381 K HN 0.639 nan 8.250 nan 0.000 0.433 382 H N 1.552 120.606 119.070 -0.026 0.000 2.861 382 H HA -0.206 4.350 4.556 0.001 0.000 0.289 382 H C 0.705 176.025 175.328 -0.013 0.000 1.176 382 H CA 1.788 57.810 56.048 -0.043 0.000 1.146 382 H CB -1.172 28.531 29.762 -0.098 0.000 1.330 382 H HN 1.133 nan 8.280 nan 0.000 0.379 383 G N -1.617 107.246 108.800 0.105 0.000 2.176 383 G HA2 -0.147 3.813 3.960 0.001 0.000 0.253 383 G HA3 -0.147 3.813 3.960 0.001 0.000 0.253 383 G C 0.411 175.389 174.900 0.130 0.000 0.979 383 G CA 0.381 45.541 45.100 0.101 0.000 0.641 383 G HN 1.220 nan 8.290 nan 0.000 0.530 384 A N 0.762 123.685 122.820 0.171 0.000 2.260 384 A HA 0.783 5.104 4.320 0.001 0.000 0.308 384 A C 0.539 178.419 177.584 0.493 0.000 1.254 384 A CA -0.376 51.813 52.037 0.253 0.000 0.874 384 A CB 0.464 19.547 19.000 0.138 0.000 1.153 384 A HN 0.414 nan 8.150 nan 0.000 0.527 385 R N 1.436 122.189 120.500 0.421 0.000 2.407 385 R HA 0.555 4.896 4.340 0.001 0.000 0.303 385 R C -1.392 175.144 176.300 0.392 0.000 0.981 385 R CA -0.764 55.611 56.100 0.458 0.000 0.905 385 R CB 1.665 32.206 30.300 0.403 0.000 1.099 385 R HN 0.554 nan 8.270 nan 0.000 0.459 386 L N 3.849 125.103 121.223 0.051 0.000 2.349 386 L HA 0.369 4.710 4.340 0.001 0.000 0.278 386 L C -1.462 175.179 176.870 -0.381 0.000 0.996 386 L CA -0.883 53.764 54.840 -0.322 0.000 0.825 386 L CB 1.626 43.015 42.059 -1.116 0.000 1.243 386 L HN 0.482 nan 8.230 nan 0.000 0.412 387 L N 5.847 126.678 121.223 -0.653 0.000 2.276 387 L HA 0.608 4.949 4.340 0.001 0.000 0.286 387 L C -1.377 175.216 176.870 -0.460 0.000 1.061 387 L CA 0.114 54.428 54.840 -0.877 0.000 0.807 387 L CB 0.999 42.033 42.059 -1.709 0.000 1.177 387 L HN 0.603 nan 8.230 nan 0.000 0.429 388 L N 5.584 126.643 121.223 -0.274 0.000 2.313 388 L HA 0.819 5.160 4.340 0.001 0.000 0.283 388 L C 0.431 177.306 176.870 0.008 0.000 1.013 388 L CA -0.003 54.791 54.840 -0.076 0.000 0.816 388 L CB 1.692 43.812 42.059 0.102 0.000 1.236 388 L HN 0.753 nan 8.230 nan 0.000 0.419 389 G N 3.463 112.212 108.800 -0.086 0.000 2.542 389 G HA2 0.745 4.706 3.960 0.001 0.000 0.311 389 G HA3 0.745 4.706 3.960 0.001 0.000 0.311 389 G C -1.197 173.568 174.900 -0.225 0.000 1.298 389 G CA -0.583 44.447 45.100 -0.118 0.000 0.973 389 G HN 0.368 nan 8.290 nan 0.000 0.487 390 L N 1.404 122.449 121.223 -0.297 0.000 2.317 390 L HA 0.679 5.019 4.340 0.001 0.000 0.281 390 L C -0.529 176.195 176.870 -0.244 0.000 1.024 390 L CA -1.063 53.565 54.840 -0.354 0.000 0.810 390 L CB 1.962 43.726 42.059 -0.492 0.000 1.240 390 L HN 0.142 nan 8.230 nan 0.000 0.427 391 V N 1.831 121.621 119.914 -0.206 0.000 2.760 391 V HA 0.867 4.988 4.120 0.001 0.000 0.309 391 V C 0.439 176.462 176.094 -0.120 0.000 1.077 391 V CA 0.183 62.395 62.300 -0.146 0.000 0.910 391 V CB 1.452 33.189 31.823 -0.143 0.000 1.008 391 V HN 1.070 nan 8.190 nan 0.000 0.424 392 G N 4.370 113.125 108.800 -0.073 0.000 2.484 392 G HA2 -0.186 3.774 3.960 0.001 0.000 0.225 392 G HA3 -0.186 3.774 3.960 0.001 0.000 0.225 392 G C 0.206 175.091 174.900 -0.025 0.000 1.250 392 G CA 0.377 45.448 45.100 -0.049 0.000 0.926 392 G HN 0.624 nan 8.290 nan 0.000 0.581 393 D N -0.011 120.383 120.400 -0.010 0.000 2.218 393 D HA -0.090 4.551 4.640 0.001 0.000 0.204 393 D C 2.557 178.879 176.300 0.037 0.000 0.976 393 D CA 2.148 56.168 54.000 0.033 0.000 0.853 393 D CB -0.550 40.285 40.800 0.058 0.000 0.939 393 D HN 0.953 nan 8.370 nan 0.000 0.481 394 C N -0.566 118.740 119.300 0.010 0.000 2.500 394 C HA 0.211 4.671 4.460 0.001 0.000 0.273 394 C C 2.268 177.240 174.990 -0.030 0.000 1.428 394 C CA -0.450 58.585 59.018 0.027 0.000 1.766 394 C CB -1.179 26.596 27.740 0.059 0.000 1.817 394 C HN 0.185 nan 8.230 nan 0.000 0.543 395 L N 2.387 123.578 121.223 -0.053 0.000 2.121 395 L HA 0.366 4.706 4.340 0.001 0.000 0.200 395 L C 0.759 177.661 176.870 0.052 0.000 1.077 395 L CA 1.979 56.779 54.840 -0.066 0.000 0.766 395 L CB -0.116 41.877 42.059 -0.110 0.000 0.931 395 L HN 0.436 nan 8.230 nan 0.000 0.452 396 V N -1.406 118.554 119.914 0.078 0.000 2.623 396 V HA 0.471 4.591 4.120 0.001 0.000 0.304 396 V C -0.477 175.667 176.094 0.083 0.000 1.054 396 V CA -0.873 61.492 62.300 0.108 0.000 0.882 396 V CB 1.222 33.131 31.823 0.144 0.000 1.002 396 V HN 0.332 nan 8.190 nan 0.000 0.424 397 E N 6.695 126.944 120.200 0.081 0.000 2.257 397 E HA 0.389 4.740 4.350 0.001 0.000 0.278 397 E C -2.309 174.348 176.600 0.095 0.000 1.049 397 E CA -1.785 54.666 56.400 0.086 0.000 0.876 397 E CB 1.420 31.161 29.700 0.069 0.000 1.035 397 E HN 0.685 nan 8.360 nan 0.000 0.419 398 P HA 0.056 nan 4.420 nan 0.000 0.278 398 P C -0.936 176.449 177.300 0.143 0.000 1.238 398 P CA -0.320 62.877 63.100 0.162 0.000 0.794 398 P CB 0.428 32.239 31.700 0.185 0.000 0.955 399 F N 3.369 123.295 119.950 -0.041 0.000 2.375 399 F HA 0.227 4.755 4.527 0.001 0.000 0.362 399 F C 0.611 176.375 175.800 -0.060 0.000 1.129 399 F CA -0.652 57.216 58.000 -0.220 0.000 1.154 399 F CB 0.175 39.081 39.000 -0.156 0.000 1.205 399 F HN 0.294 nan 8.300 nan 0.000 0.513 400 W N 5.134 125.976 121.300 -0.764 0.000 2.338 400 W HA -0.114 4.547 4.660 0.001 0.000 0.304 400 W C -0.461 175.838 176.519 -0.367 0.000 1.212 400 W CA 1.105 58.179 57.345 -0.452 0.000 1.264 400 W CB -2.369 26.887 29.460 -0.341 0.000 1.142 400 W HN 0.446 nan 8.180 nan 0.000 0.512 401 P HA -0.140 nan 4.420 nan 0.000 0.219 401 P C 1.731 179.035 177.300 0.008 0.000 1.146 401 P CA 1.529 64.533 63.100 -0.161 0.000 0.808 401 P CB -0.284 31.266 31.700 -0.250 0.000 0.779 402 L N -2.765 118.492 121.223 0.056 0.000 2.558 402 L HA 0.215 4.556 4.340 0.001 0.000 0.225 402 L C 1.351 178.342 176.870 0.203 0.000 1.128 402 L CA 0.611 55.565 54.840 0.189 0.000 0.868 402 L CB -0.899 41.349 42.059 0.315 0.000 1.006 402 L HN 0.105 nan 8.230 nan 0.000 0.454 403 G N 0.764 109.685 108.800 0.202 0.000 2.176 403 G HA2 -0.326 3.635 3.960 0.001 0.000 0.252 403 G HA3 -0.326 3.635 3.960 0.001 0.000 0.252 403 G C 0.799 175.919 174.900 0.365 0.000 1.024 403 G CA 0.653 45.924 45.100 0.285 0.000 0.755 403 G HN 0.414 nan 8.290 nan 0.000 0.507 404 T N -3.247 111.462 114.554 0.259 0.000 3.081 404 T HA 0.382 4.733 4.350 0.001 0.000 0.250 404 T C 2.333 176.964 174.700 -0.114 0.000 1.100 404 T CA 1.135 63.315 62.100 0.134 0.000 1.038 404 T CB 0.435 69.445 68.868 0.236 0.000 0.962 404 T HN 1.056 nan 8.240 nan 0.000 0.516 405 G N 1.921 110.681 108.800 -0.067 0.000 2.459 405 G HA2 -0.175 3.785 3.960 0.001 0.000 0.217 405 G HA3 -0.175 3.785 3.960 0.001 0.000 0.217 405 G C 1.492 176.240 174.900 -0.254 0.000 1.183 405 G CA 1.184 46.214 45.100 -0.116 0.000 0.776 405 G HN 0.460 nan 8.290 nan 0.000 0.552 406 V N 1.530 121.211 119.914 -0.389 0.000 2.358 406 V HA -0.067 4.054 4.120 0.001 0.000 0.246 406 V C 3.318 178.957 176.094 -0.758 0.000 1.047 406 V CA 1.933 63.853 62.300 -0.633 0.000 1.035 406 V CB -0.918 30.440 31.823 -0.776 0.000 0.658 406 V HN 0.503 nan 8.190 nan 0.000 0.452 407 A N 0.365 122.693 122.820 -0.821 0.000 1.851 407 A HA -0.251 4.069 4.320 0.001 0.000 0.216 407 A C 2.375 179.724 177.584 -0.391 0.000 1.195 407 A CA 2.108 53.619 52.037 -0.878 0.000 0.622 407 A CB -0.530 17.186 19.000 -2.140 0.000 0.831 407 A HN 0.506 nan 8.150 nan 0.000 0.444 408 R N -0.974 119.296 120.500 -0.382 0.000 2.148 408 R HA -0.019 4.321 4.340 0.001 0.000 0.223 408 R C 2.305 178.572 176.300 -0.055 0.000 1.088 408 R CA 0.748 56.769 56.100 -0.131 0.000 0.985 408 R CB -0.428 29.840 30.300 -0.054 0.000 0.880 408 R HN 0.548 nan 8.270 nan 0.000 0.451 409 G N 0.627 109.375 108.800 -0.087 0.000 2.404 409 G HA2 -0.222 3.738 3.960 0.001 0.000 0.215 409 G HA3 -0.222 3.738 3.960 0.001 0.000 0.215 409 G C 1.012 175.942 174.900 0.050 0.000 1.174 409 G CA 0.382 45.472 45.100 -0.016 0.000 0.780 409 G HN 0.118 nan 8.290 nan 0.000 0.537 410 F N 0.900 120.671 119.950 -0.299 0.000 2.146 410 F HA 0.151 4.679 4.527 0.001 0.000 0.298 410 F C 2.670 177.987 175.800 -0.806 0.000 1.096 410 F CA 0.125 57.797 58.000 -0.547 0.000 1.275 410 F CB -0.825 37.925 39.000 -0.417 0.000 1.008 410 F HN 0.018 nan 8.300 nan 0.000 0.480 411 L N -0.525 120.605 121.223 -0.156 0.000 2.042 411 L HA -0.232 4.108 4.340 0.001 0.000 0.210 411 L C 2.681 179.545 176.870 -0.009 0.000 1.076 411 L CA 1.301 56.090 54.840 -0.086 0.000 0.749 411 L CB -1.052 41.043 42.059 0.060 0.000 0.893 411 L HN 0.107 nan 8.230 nan 0.000 0.432 412 A N -0.064 122.751 122.820 -0.009 0.000 1.933 412 A HA -0.168 4.152 4.320 0.001 0.000 0.218 412 A C 2.543 180.112 177.584 -0.024 0.000 1.175 412 A CA 1.708 53.752 52.037 0.012 0.000 0.628 412 A CB -0.683 18.312 19.000 -0.009 0.000 0.814 412 A HN 0.411 nan 8.150 nan 0.000 0.444 413 A N -0.623 122.127 122.820 -0.118 0.000 1.877 413 A HA -0.007 4.314 4.320 0.001 0.000 0.216 413 A C 1.906 179.545 177.584 0.093 0.000 1.186 413 A CA 1.704 53.676 52.037 -0.109 0.000 0.620 413 A CB -0.764 18.075 19.000 -0.269 0.000 0.822 413 A HN 0.446 nan 8.150 nan 0.000 0.443 414 F N 0.882 120.862 119.950 0.051 0.000 2.134 414 F HA -0.117 4.410 4.527 0.001 0.000 0.299 414 F C 2.067 177.937 175.800 0.117 0.000 1.097 414 F CA 1.021 59.063 58.000 0.069 0.000 1.264 414 F CB -1.180 37.838 39.000 0.031 0.000 1.001 414 F HN 0.229 nan 8.300 nan 0.000 0.479 415 D N 0.092 120.673 120.400 0.302 0.000 2.144 415 D HA -0.088 4.552 4.640 0.001 0.000 0.200 415 D C 2.376 178.813 176.300 0.229 0.000 0.978 415 D CA 1.369 55.528 54.000 0.265 0.000 0.833 415 D CB -0.594 40.343 40.800 0.228 0.000 0.961 415 D HN 0.205 nan 8.370 nan 0.000 0.470 416 A N 1.102 124.006 122.820 0.139 0.000 1.902 416 A HA -0.042 4.278 4.320 0.001 0.000 0.217 416 A C 2.316 179.956 177.584 0.094 0.000 1.181 416 A CA 2.213 54.290 52.037 0.067 0.000 0.623 416 A CB -0.712 18.281 19.000 -0.012 0.000 0.818 416 A HN 0.236 nan 8.150 nan 0.000 0.443 417 A N -1.343 121.568 122.820 0.152 0.000 1.898 417 A HA -0.164 4.157 4.320 0.001 0.000 0.216 417 A C 2.116 179.812 177.584 0.187 0.000 1.181 417 A CA 1.318 53.449 52.037 0.157 0.000 0.620 417 A CB -0.927 18.194 19.000 0.202 0.000 0.819 417 A HN 0.855 nan 8.150 nan 0.000 0.442 418 W N 0.377 121.719 121.300 0.070 0.000 2.338 418 W HA -0.230 4.431 4.660 0.001 0.000 0.304 418 W C 2.107 178.661 176.519 0.058 0.000 1.212 418 W CA 2.121 59.496 57.345 0.051 0.000 1.264 418 W CB -0.309 29.181 29.460 0.049 0.000 1.142 418 W HN 0.438 nan 8.180 nan 0.000 0.512 419 M N 0.497 120.202 119.600 0.176 0.000 2.108 419 M HA -0.221 4.259 4.480 0.001 0.000 0.261 419 M C 1.735 178.033 176.300 -0.003 0.000 1.066 419 M CA 1.972 57.311 55.300 0.065 0.000 1.107 419 M CB -0.532 32.114 32.600 0.077 0.000 1.356 419 M HN -0.174 nan 8.290 nan 0.000 0.406 420 V N 0.755 120.668 119.914 -0.003 0.000 2.427 420 V HA -0.271 3.849 4.120 0.001 0.000 0.248 420 V C 2.350 178.470 176.094 0.043 0.000 1.051 420 V CA 2.056 64.369 62.300 0.022 0.000 1.048 420 V CB -0.901 30.922 31.823 0.001 0.000 0.666 420 V HN 0.546 nan 8.190 nan 0.000 0.456 421 K N 0.065 120.415 120.400 -0.083 0.000 2.032 421 K HA -0.218 4.103 4.320 0.001 0.000 0.209 421 K C 2.447 178.913 176.600 -0.223 0.000 1.048 421 K CA 1.325 57.500 56.287 -0.186 0.000 0.927 421 K CB -0.071 32.210 32.500 -0.366 0.000 0.712 421 K HN 0.257 nan 8.250 nan 0.000 0.441 422 R N 0.428 120.744 120.500 -0.307 0.000 2.083 422 R HA -0.194 4.147 4.340 0.001 0.000 0.237 422 R C 2.102 178.393 176.300 -0.014 0.000 1.137 422 R CA 1.485 57.464 56.100 -0.202 0.000 0.951 422 R CB -1.230 28.965 30.300 -0.174 0.000 0.851 422 R HN 0.583 nan 8.270 nan 0.000 0.434 423 W N 1.635 122.851 121.300 -0.141 0.000 2.335 423 W HA -0.199 4.462 4.660 0.001 0.000 0.311 423 W C 1.847 178.317 176.519 -0.082 0.000 1.213 423 W CA 1.914 59.202 57.345 -0.096 0.000 1.274 423 W CB -0.214 29.201 29.460 -0.076 0.000 1.148 423 W HN 0.148 nan 8.180 nan 0.000 0.498 424 A N 0.592 123.473 122.820 0.102 0.000 2.019 424 A HA -0.225 4.096 4.320 0.001 0.000 0.219 424 A C 1.710 179.242 177.584 -0.086 0.000 1.164 424 A CA 1.832 53.863 52.037 -0.009 0.000 0.644 424 A CB -0.823 18.205 19.000 0.046 0.000 0.805 424 A HN 0.519 nan 8.150 nan 0.000 0.449 425 E N -1.646 118.496 120.200 -0.097 0.000 2.427 425 E HA 0.208 4.558 4.350 0.001 0.000 0.196 425 E C 1.113 177.639 176.600 -0.123 0.000 1.028 425 E CA 0.361 56.698 56.400 -0.105 0.000 0.864 425 E CB -0.113 29.520 29.700 -0.111 0.000 0.813 425 E HN 0.751 nan 8.360 nan 0.000 0.514 426 G N 0.437 109.129 108.800 -0.180 0.000 2.132 426 G HA2 -0.321 3.640 3.960 0.001 0.000 0.228 426 G HA3 -0.321 3.640 3.960 0.001 0.000 0.228 426 G C 0.908 175.704 174.900 -0.174 0.000 1.000 426 G CA 0.235 45.206 45.100 -0.216 0.000 0.693 426 G HN 0.380 nan 8.290 nan 0.000 0.515 427 A N -0.284 122.456 122.820 -0.133 0.000 2.070 427 A HA 0.512 4.833 4.320 0.001 0.000 0.220 427 A C 2.294 179.829 177.584 -0.082 0.000 1.159 427 A CA 2.159 54.151 52.037 -0.077 0.000 0.656 427 A CB -0.397 18.584 19.000 -0.031 0.000 0.800 427 A HN 2.717 nan 8.150 nan 0.000 0.453 428 G N -2.417 106.294 108.800 -0.149 0.000 2.785 428 G HA2 -0.022 3.939 3.960 0.001 0.000 0.686 428 G HA3 -0.022 3.939 3.960 0.001 0.000 0.686 428 G C -1.428 173.417 174.900 -0.092 0.000 1.155 428 G CA -0.353 44.653 45.100 -0.158 0.000 0.760 428 G HN 0.070 nan 8.290 nan 0.000 0.624 429 P HA -0.148 nan 4.420 nan 0.000 0.215 429 P C 2.378 179.599 177.300 -0.131 0.000 1.163 429 P CA 1.576 64.558 63.100 -0.197 0.000 0.894 429 P CB 0.071 31.198 31.700 -0.956 0.000 0.791 430 L N -1.199 119.958 121.223 -0.110 0.000 2.046 430 L HA -0.180 4.160 4.340 0.001 0.000 0.208 430 L C 2.583 179.466 176.870 0.022 0.000 1.077 430 L CA 1.463 56.301 54.840 -0.003 0.000 0.747 430 L CB -0.845 41.244 42.059 0.051 0.000 0.896 430 L HN -0.023 nan 8.230 nan 0.000 0.432 431 E N 0.364 120.575 120.200 0.019 0.000 2.072 431 E HA -0.163 4.188 4.350 0.001 0.000 0.191 431 E C 2.105 178.738 176.600 0.057 0.000 0.985 431 E CA 1.650 58.072 56.400 0.036 0.000 0.801 431 E CB -0.205 29.510 29.700 0.025 0.000 0.750 431 E HN 0.348 nan 8.360 nan 0.000 0.452 432 V N -0.544 119.411 119.914 0.068 0.000 2.332 432 V HA -0.250 3.870 4.120 0.001 0.000 0.248 432 V C 2.387 178.529 176.094 0.079 0.000 1.055 432 V CA 1.921 64.281 62.300 0.100 0.000 1.038 432 V CB -0.917 31.020 31.823 0.191 0.000 0.651 432 V HN 0.223 nan 8.190 nan 0.000 0.450 433 L N 0.596 121.851 121.223 0.054 0.000 2.056 433 L HA 0.001 4.341 4.340 0.001 0.000 0.207 433 L C 3.023 179.930 176.870 0.062 0.000 1.078 433 L CA 1.572 56.437 54.840 0.043 0.000 0.749 433 L CB -0.866 41.207 42.059 0.023 0.000 0.901 433 L HN 0.420 nan 8.230 nan 0.000 0.433 434 A N -0.019 122.839 122.820 0.062 0.000 1.898 434 A HA -0.204 4.117 4.320 0.001 0.000 0.216 434 A C 2.169 179.798 177.584 0.075 0.000 1.181 434 A CA 1.561 53.637 52.037 0.064 0.000 0.620 434 A CB -0.403 18.630 19.000 0.055 0.000 0.819 434 A HN 0.440 nan 8.150 nan 0.000 0.442 435 E N -0.860 119.394 120.200 0.090 0.000 2.051 435 E HA -0.235 4.115 4.350 0.001 0.000 0.192 435 E C 2.299 178.976 176.600 0.128 0.000 0.991 435 E CA 1.353 57.823 56.400 0.117 0.000 0.799 435 E CB -0.170 29.625 29.700 0.158 0.000 0.748 435 E HN 0.469 nan 8.360 nan 0.000 0.449 436 R N 1.393 121.971 120.500 0.129 0.000 2.091 436 R HA -0.152 4.188 4.340 0.001 0.000 0.238 436 R C 1.951 178.328 176.300 0.127 0.000 1.136 436 R CA 1.485 57.662 56.100 0.128 0.000 0.959 436 R CB -0.156 30.198 30.300 0.091 0.000 0.856 436 R HN 0.059 nan 8.270 nan 0.000 0.437 437 E N -0.107 120.166 120.200 0.120 0.000 2.150 437 E HA -0.063 4.288 4.350 0.001 0.000 0.193 437 E C 2.010 178.677 176.600 0.111 0.000 0.985 437 E CA 1.250 57.744 56.400 0.156 0.000 0.814 437 E CB -0.154 29.625 29.700 0.131 0.000 0.752 437 E HN 0.298 nan 8.360 nan 0.000 0.466 438 S N 1.051 116.791 115.700 0.067 0.000 2.382 438 S HA -0.077 4.394 4.470 0.001 0.000 0.228 438 S C 2.124 176.705 174.600 -0.031 0.000 1.027 438 S CA 0.734 58.944 58.200 0.017 0.000 0.991 438 S CB -0.160 63.051 63.200 0.019 0.000 0.823 438 S HN 0.199 nan 8.310 nan 0.000 0.469 439 L N -0.357 120.860 121.223 -0.010 0.000 2.056 439 L HA -0.079 4.262 4.340 0.001 0.000 0.207 439 L C 2.369 179.204 176.870 -0.058 0.000 1.078 439 L CA 1.299 56.076 54.840 -0.104 0.000 0.749 439 L CB -0.610 41.448 42.059 -0.001 0.000 0.901 439 L HN 0.293 nan 8.230 nan 0.000 0.433 440 Y N 1.325 121.587 120.300 -0.064 0.000 2.274 440 Y HA -0.261 4.290 4.550 0.001 0.000 0.290 440 Y C 2.597 178.469 175.900 -0.047 0.000 1.145 440 Y CA 1.303 59.383 58.100 -0.034 0.000 1.203 440 Y CB -0.449 38.017 38.460 0.010 0.000 0.984 440 Y HN 0.216 nan 8.280 nan 0.000 0.533 441 Q N -0.317 119.393 119.800 -0.151 0.000 2.308 441 Q HA -0.207 4.133 4.340 0.001 0.000 0.209 441 Q C 1.985 177.857 176.000 -0.215 0.000 0.985 441 Q CA 1.768 57.442 55.803 -0.215 0.000 0.881 441 Q CB -0.250 28.418 28.738 -0.116 0.000 0.917 441 Q HN 0.523 nan 8.270 nan 0.000 0.443 442 L N -0.590 120.503 121.223 -0.215 0.000 2.375 442 L HA -0.070 4.271 4.340 0.001 0.000 0.215 442 L C 2.026 178.832 176.870 -0.106 0.000 1.108 442 L CA -0.128 54.594 54.840 -0.197 0.000 0.830 442 L CB -0.150 41.690 42.059 -0.365 0.000 0.959 442 L HN 0.193 nan 8.230 nan 0.000 0.457 443 L N -0.271 120.895 121.223 -0.095 0.000 2.017 443 L HA -0.151 4.190 4.340 0.001 0.000 0.208 443 L C 2.386 179.289 176.870 0.056 0.000 1.073 443 L CA 1.772 56.634 54.840 0.037 0.000 0.745 443 L CB -0.453 41.673 42.059 0.111 0.000 0.894 443 L HN 0.065 nan 8.230 nan 0.000 0.432 444 S N -1.033 114.654 115.700 -0.021 0.000 2.603 444 S HA -0.087 4.384 4.470 0.001 0.000 0.229 444 S C 1.417 176.049 174.600 0.052 0.000 0.972 444 S CA 0.581 58.794 58.200 0.021 0.000 0.935 444 S CB -0.152 63.031 63.200 -0.028 0.000 0.769 444 S HN 0.517 nan 8.310 nan 0.000 0.536 445 Q N 0.583 120.414 119.800 0.050 0.000 2.217 445 Q HA 0.142 4.482 4.340 0.001 0.000 0.217 445 Q C 0.600 176.675 176.000 0.126 0.000 0.844 445 Q CA 0.022 55.864 55.803 0.064 0.000 0.957 445 Q CB 0.338 29.084 28.738 0.015 0.000 1.127 445 Q HN 0.514 nan 8.270 nan 0.000 0.503 446 T N -0.622 114.058 114.554 0.209 0.000 2.940 446 T HA 0.440 4.790 4.350 0.001 0.000 0.309 446 T C 0.357 175.288 174.700 0.386 0.000 1.056 446 T CA -0.139 62.160 62.100 0.331 0.000 1.137 446 T CB 1.050 70.200 68.868 0.470 0.000 0.976 446 T HN 0.170 nan 8.240 nan 0.000 0.547 447 S N 1.251 117.066 115.700 0.192 0.000 2.596 447 S HA 0.564 5.034 4.470 0.001 0.000 0.270 447 S C -2.640 171.816 174.600 -0.240 0.000 1.155 447 S CA -1.536 56.543 58.200 -0.201 0.000 0.827 447 S CB 1.666 64.777 63.200 -0.148 0.000 1.130 447 S HN 0.354 nan 8.310 nan 0.000 0.467 448 P HA -0.080 nan 4.420 nan 0.000 0.216 448 P C 0.947 178.210 177.300 -0.062 0.000 1.150 448 P CA 1.433 64.421 63.100 -0.187 0.000 0.843 448 P CB 0.017 31.547 31.700 -0.283 0.000 0.787 449 E N -0.329 119.810 120.200 -0.103 0.000 2.077 449 E HA -0.170 4.180 4.350 0.001 0.000 0.193 449 E C 1.398 177.988 176.600 -0.016 0.000 0.989 449 E CA 1.463 57.833 56.400 -0.050 0.000 0.800 449 E CB -0.811 28.854 29.700 -0.059 0.000 0.746 449 E HN 0.416 nan 8.360 nan 0.000 0.452 450 N N -0.484 118.214 118.700 -0.004 0.000 2.230 450 N HA 0.043 4.783 4.740 0.001 0.000 0.202 450 N C 0.094 175.620 175.510 0.027 0.000 1.119 450 N CA 0.121 53.178 53.050 0.010 0.000 0.851 450 N CB 0.127 38.623 38.487 0.015 0.000 0.990 450 N HN 0.069 nan 8.380 nan 0.000 0.497 451 M N -0.376 119.260 119.600 0.061 0.000 2.649 451 M HA 0.248 4.728 4.480 0.001 0.000 0.294 451 M C 0.041 176.376 176.300 0.059 0.000 1.206 451 M CA -0.869 54.474 55.300 0.072 0.000 0.928 451 M CB 0.758 33.462 32.600 0.174 0.000 1.571 451 M HN -0.025 nan 8.290 nan 0.000 0.501 452 H N 1.691 120.815 119.070 0.089 0.000 3.034 452 H HA -0.017 4.540 4.556 0.001 0.000 0.324 452 H C 0.838 176.290 175.328 0.207 0.000 1.015 452 H CA 0.868 56.992 56.048 0.127 0.000 1.429 452 H CB 0.565 30.376 29.762 0.082 0.000 1.429 452 H HN 0.541 nan 8.280 nan 0.000 0.585 453 R N 2.575 123.227 120.500 0.252 0.000 2.115 453 R HA -0.077 4.264 4.340 0.001 0.000 0.226 453 R C 0.585 176.926 176.300 0.067 0.000 1.100 453 R CA 0.798 56.975 56.100 0.127 0.000 0.980 453 R CB 0.090 30.437 30.300 0.078 0.000 0.875 453 R HN 0.202 nan 8.270 nan 0.000 0.445 454 N N 2.000 120.752 118.700 0.087 0.000 2.605 454 N HA -0.014 4.726 4.740 0.001 0.000 0.258 454 N C 0.977 176.422 175.510 -0.108 0.000 1.156 454 N CA -0.080 52.961 53.050 -0.015 0.000 1.008 454 N CB 1.490 39.969 38.487 -0.013 0.000 1.354 454 N HN 0.277 nan 8.380 nan 0.000 0.509 455 V N 1.647 121.355 119.914 -0.343 0.000 2.809 455 V HA -0.012 4.109 4.120 0.001 0.000 0.256 455 V C 1.971 177.681 176.094 -0.640 0.000 1.080 455 V CA 1.588 63.404 62.300 -0.807 0.000 1.102 455 V CB -0.979 30.480 31.823 -0.607 0.000 0.705 455 V HN 0.433 nan 8.190 nan 0.000 0.475 456 A N -0.308 122.162 122.820 -0.582 0.000 2.070 456 A HA -0.118 4.203 4.320 0.001 0.000 0.220 456 A C 2.110 179.549 177.584 -0.242 0.000 1.159 456 A CA 1.616 53.230 52.037 -0.704 0.000 0.656 456 A CB -0.385 18.409 19.000 -0.343 0.000 0.800 456 A HN 0.603 nan 8.150 nan 0.000 0.453 457 Q N -1.166 118.569 119.800 -0.110 0.000 2.319 457 Q HA 0.116 4.457 4.340 0.001 0.000 0.202 457 Q C -0.796 175.248 176.000 0.074 0.000 0.896 457 Q CA -0.202 55.594 55.803 -0.012 0.000 0.942 457 Q CB 0.024 28.739 28.738 -0.038 0.000 1.083 457 Q HN 0.654 nan 8.270 nan 0.000 0.510 458 Y N 0.707 120.925 120.300 -0.137 0.000 2.620 458 Y HA 0.303 4.853 4.550 0.001 0.000 0.330 458 Y C 1.260 177.049 175.900 -0.185 0.000 1.186 458 Y CA 0.220 58.226 58.100 -0.157 0.000 1.467 458 Y CB 0.285 38.692 38.460 -0.089 0.000 1.262 458 Y HN 0.003 nan 8.280 nan 0.000 0.550 459 G N 1.845 110.540 108.800 -0.176 0.000 2.827 459 G HA2 0.344 4.304 3.960 0.001 0.000 0.296 459 G HA3 0.344 4.304 3.960 0.001 0.000 0.296 459 G C 0.213 174.885 174.900 -0.380 0.000 1.362 459 G CA -0.856 44.081 45.100 -0.271 0.000 0.809 459 G HN 0.579 nan 8.290 nan 0.000 0.522 460 L N -0.202 120.831 121.223 -0.316 0.000 2.042 460 L HA -0.038 4.302 4.340 0.001 0.000 0.210 460 L C 1.162 177.881 176.870 -0.252 0.000 1.076 460 L CA 0.992 55.737 54.840 -0.158 0.000 0.749 460 L CB -0.160 41.938 42.059 0.064 0.000 0.893 460 L HN 0.440 nan 8.230 nan 0.000 0.432 461 D N 0.850 121.011 120.400 -0.398 0.000 2.479 461 D HA -0.048 4.593 4.640 0.001 0.000 0.257 461 D C -1.421 174.432 176.300 -0.745 0.000 1.230 461 D CA -1.491 51.953 54.000 -0.926 0.000 0.912 461 D CB 1.063 41.558 40.800 -0.508 0.000 1.130 461 D HN 0.043 nan 8.370 nan 0.000 0.515 462 P HA -0.142 nan 4.420 nan 0.000 0.222 462 P C 0.953 178.085 177.300 -0.280 0.000 1.147 462 P CA 0.884 63.723 63.100 -0.435 0.000 0.790 462 P CB 0.078 31.628 31.700 -0.249 0.000 0.780 463 A N 0.388 123.033 122.820 -0.291 0.000 2.125 463 A HA -0.126 4.195 4.320 0.001 0.000 0.219 463 A C 2.192 179.686 177.584 -0.149 0.000 1.156 463 A CA 2.100 54.057 52.037 -0.133 0.000 0.671 463 A CB -1.732 17.194 19.000 -0.124 0.000 0.794 463 A HN 0.393 nan 8.150 nan 0.000 0.459 464 T N -3.693 110.681 114.554 -0.301 0.000 3.055 464 T HA 0.065 4.416 4.350 0.001 0.000 0.265 464 T C 1.733 176.158 174.700 -0.458 0.000 1.111 464 T CA 1.029 62.902 62.100 -0.378 0.000 1.118 464 T CB -0.074 68.598 68.868 -0.327 0.000 0.909 464 T HN 0.549 nan 8.240 nan 0.000 0.501 465 R N -1.129 119.065 120.500 -0.510 0.000 2.276 465 R HA 0.271 4.612 4.340 0.001 0.000 0.195 465 R C -0.524 175.440 176.300 -0.559 0.000 0.908 465 R CA 0.055 55.583 56.100 -0.954 0.000 1.083 465 R CB 0.559 30.067 30.300 -1.319 0.000 1.182 465 R HN 0.345 nan 8.270 nan 0.000 0.608 466 Y N 1.908 122.132 120.300 -0.126 0.000 2.356 466 Y HA 0.371 4.922 4.550 0.001 0.000 0.334 466 Y C -2.301 173.476 175.900 -0.205 0.000 0.958 466 Y CA -3.753 54.256 58.100 -0.151 0.000 1.196 466 Y CB 0.788 39.175 38.460 -0.121 0.000 1.137 466 Y HN -0.101 nan 8.280 nan 0.000 0.485 467 P HA 0.045 nan 4.420 nan 0.000 0.268 467 P C -0.469 176.765 177.300 -0.109 0.000 1.205 467 P CA 0.047 62.919 63.100 -0.381 0.000 0.771 467 P CB 0.411 31.877 31.700 -0.390 0.000 0.858 468 N N 0.255 118.924 118.700 -0.052 0.000 2.667 468 N HA -0.193 4.548 4.740 0.001 0.000 0.263 468 N C -0.587 174.917 175.510 -0.011 0.000 1.038 468 N CA 0.484 53.525 53.050 -0.016 0.000 0.749 468 N CB -1.384 37.088 38.487 -0.024 0.000 0.892 468 N HN 0.453 nan 8.380 nan 0.000 0.546 469 L N 0.357 121.584 121.223 0.007 0.000 2.418 469 L HA 0.131 4.471 4.340 0.001 0.000 0.274 469 L C 0.584 177.450 176.870 -0.007 0.000 1.135 469 L CA -0.099 54.741 54.840 0.001 0.000 0.870 469 L CB 0.415 42.485 42.059 0.018 0.000 1.154 469 L HN 0.290 nan 8.230 nan 0.000 0.462 470 N N 5.284 123.970 118.700 -0.023 0.000 2.801 470 N HA 0.151 4.891 4.740 0.001 0.000 0.235 470 N C 0.522 176.026 175.510 -0.010 0.000 1.069 470 N CA -0.147 52.895 53.050 -0.014 0.000 0.946 470 N CB 0.612 39.087 38.487 -0.020 0.000 1.212 470 N HN 0.670 nan 8.380 nan 0.000 0.509 471 L N 1.590 122.820 121.223 0.011 0.000 2.622 471 L HA 0.102 4.443 4.340 0.001 0.000 0.233 471 L C 1.393 178.286 176.870 0.039 0.000 1.156 471 L CA 0.442 55.301 54.840 0.032 0.000 0.866 471 L CB 0.089 42.186 42.059 0.063 0.000 0.980 471 L HN 0.299 nan 8.230 nan 0.000 0.448 472 R N -1.035 119.481 120.500 0.026 0.000 2.543 472 R HA 0.268 4.608 4.340 0.001 0.000 0.323 472 R C 1.778 178.089 176.300 0.017 0.000 1.002 472 R CA 0.566 56.682 56.100 0.027 0.000 1.106 472 R CB 0.342 30.657 30.300 0.026 0.000 1.280 472 R HN 0.118 nan 8.270 nan 0.000 0.549 473 A N 1.163 123.987 122.820 0.008 0.000 1.986 473 A HA -0.062 4.259 4.320 0.001 0.000 0.220 473 A C 1.114 178.704 177.584 0.009 0.000 1.171 473 A CA 1.158 53.195 52.037 0.000 0.000 0.640 473 A CB 0.083 19.073 19.000 -0.016 0.000 0.811 473 A HN 0.026 nan 8.150 nan 0.000 0.451 474 V N 0.256 120.183 119.914 0.021 0.000 2.555 474 V HA 0.488 4.609 4.120 0.001 0.000 0.302 474 V C 0.247 176.362 176.094 0.035 0.000 1.038 474 V CA -0.209 62.109 62.300 0.030 0.000 0.887 474 V CB 1.583 33.432 31.823 0.042 0.000 0.991 474 V HN 0.474 nan 8.190 nan 0.000 0.434 475 T N 1.730 116.304 114.554 0.034 0.000 2.943 475 T HA 0.461 4.812 4.350 0.001 0.000 0.284 475 T C -1.935 172.789 174.700 0.040 0.000 1.015 475 T CA -2.114 60.007 62.100 0.035 0.000 1.042 475 T CB 1.944 70.830 68.868 0.029 0.000 1.055 475 T HN 0.364 nan 8.240 nan 0.000 0.500 476 P HA -0.203 nan 4.420 nan 0.000 0.220 476 P C 0.986 178.316 177.300 0.050 0.000 1.155 476 P CA 1.528 64.656 63.100 0.046 0.000 0.880 476 P CB -0.217 31.508 31.700 0.041 0.000 0.790 477 N N -0.839 117.887 118.700 0.042 0.000 2.166 477 N HA -0.159 4.582 4.740 0.001 0.000 0.186 477 N C 1.637 177.171 175.510 0.040 0.000 1.019 477 N CA 1.100 54.174 53.050 0.040 0.000 0.856 477 N CB -1.002 37.503 38.487 0.031 0.000 0.993 477 N HN 0.342 nan 8.380 nan 0.000 0.426 478 Q N -0.064 119.759 119.800 0.038 0.000 2.369 478 Q HA 0.026 4.367 4.340 0.001 0.000 0.206 478 Q C 0.919 176.945 176.000 0.043 0.000 0.963 478 Q CA 0.822 56.647 55.803 0.037 0.000 0.894 478 Q CB 0.240 28.998 28.738 0.034 0.000 0.965 478 Q HN 0.470 nan 8.270 nan 0.000 0.475 479 V N -3.105 116.840 119.914 0.051 0.000 3.271 479 V HA 0.119 4.239 4.120 0.001 0.000 0.327 479 V C 1.293 177.430 176.094 0.070 0.000 1.389 479 V CA -0.078 62.256 62.300 0.057 0.000 1.156 479 V CB -0.003 31.854 31.823 0.057 0.000 1.103 479 V HN 0.152 nan 8.190 nan 0.000 0.453 480 Q N 1.894 121.736 119.800 0.070 0.000 2.135 480 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 480 Q C 1.797 177.842 176.000 0.075 0.000 0.981 480 Q CA 2.120 57.975 55.803 0.087 0.000 0.856 480 Q CB -0.137 28.637 28.738 0.060 0.000 0.902 480 Q HN 0.919 nan 8.270 nan 0.000 0.425 481 D N 0.253 120.679 120.400 0.043 0.000 2.350 481 D HA -0.136 4.504 4.640 0.001 0.000 0.216 481 D C 1.487 177.793 176.300 0.009 0.000 0.968 481 D CA 0.692 54.703 54.000 0.018 0.000 0.894 481 D CB -0.045 40.761 40.800 0.009 0.000 0.909 481 D HN 0.327 nan 8.370 nan 0.000 0.520 482 L N -0.668 120.574 121.223 0.032 0.000 2.558 482 L HA 0.047 4.388 4.340 0.001 0.000 0.225 482 L C 0.249 177.162 176.870 0.072 0.000 1.128 482 L CA -0.017 54.822 54.840 -0.001 0.000 0.868 482 L CB -0.059 41.996 42.059 -0.006 0.000 1.006 482 L HN -0.005 nan 8.230 nan 0.000 0.454 483 Y N 1.417 121.695 120.300 -0.037 0.000 2.478 483 Y HA 0.285 4.835 4.550 0.001 0.000 0.329 483 Y C -0.577 175.318 175.900 -0.009 0.000 0.967 483 Y CA -2.300 55.792 58.100 -0.012 0.000 1.255 483 Y CB 0.588 39.062 38.460 0.024 0.000 1.103 483 Y HN -0.077 nan 8.280 nan 0.000 0.497 484 D N 6.674 127.111 120.400 0.062 0.000 2.494 484 D HA 0.106 4.747 4.640 0.001 0.000 0.217 484 D C -0.436 175.767 176.300 -0.162 0.000 1.153 484 D CA -0.045 53.911 54.000 -0.073 0.000 0.954 484 D CB -0.003 40.791 40.800 -0.010 0.000 1.034 484 D HN 0.589 nan 8.370 nan 0.000 0.518 485 M N 4.596 123.922 119.600 -0.455 0.000 2.151 485 M HA 0.156 4.637 4.480 0.001 0.000 0.349 485 M C 0.409 176.592 176.300 -0.195 0.000 1.284 485 M CA -0.260 54.788 55.300 -0.420 0.000 1.173 485 M CB 0.750 32.920 32.600 -0.718 0.000 1.469 485 M HN 0.354 nan 8.290 nan 0.000 0.439 486 M N 2.320 121.865 119.600 -0.092 0.000 2.419 486 M HA -0.021 4.460 4.480 0.001 0.000 0.264 486 M C -0.207 176.033 176.300 -0.101 0.000 1.082 486 M CA 0.971 56.223 55.300 -0.081 0.000 1.119 486 M CB -0.142 32.425 32.600 -0.055 0.000 1.398 486 M HN 0.626 nan 8.290 nan 0.000 0.453 487 D N -2.266 118.073 120.400 -0.102 0.000 2.759 487 D HA 0.284 4.925 4.640 0.001 0.000 0.321 487 D C -0.540 175.725 176.300 -0.058 0.000 1.267 487 D CA -0.831 53.115 54.000 -0.091 0.000 0.933 487 D CB 0.714 41.435 40.800 -0.132 0.000 1.431 487 D HN -0.290 nan 8.370 nan 0.000 0.504 488 K N -0.742 119.637 120.400 -0.036 0.000 2.498 488 K HA 0.331 4.652 4.320 0.001 0.000 0.207 488 K C -0.465 176.139 176.600 0.007 0.000 1.033 488 K CA -0.124 56.155 56.287 -0.013 0.000 1.138 488 K CB 0.356 32.849 32.500 -0.012 0.000 0.860 488 K HN 0.309 nan 8.250 nan 0.000 0.490 489 E N 0.000 120.207 120.200 0.012 0.000 2.725 489 E HA 0.000 4.351 4.350 0.001 0.000 0.291 489 E CA 0.000 56.420 56.400 0.034 0.000 0.976 489 E CB 0.000 29.736 29.700 0.060 0.000 0.812 489 E HN 0.000 nan 8.360 nan 0.000 0.440