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 2v0k_1_A DATA FIRST_RESID 4 DATA SEQUENCE KALSAVILAA GKGTRMYSDL PKVLHTIAGK PMVKHVIDTA HQLGSENIHL DATA SEQUENCE IYGHGGDLMR THLANEQVNW VLQTEQLGTA HAVQQAAPFF KDNENIVVLY DATA SEQUENCE GDAPLITKET LEKLIEAKPE NGIALLTVNL DNPTGYGRII RENGNVVAIV DATA SEQUENCE EQKDANAEQL NIKEVNTGVM VSDGASFKKW LARVGNNNAQ GEYYLTDLIA DATA SEQUENCE LANQDNCQVV AVQATDVMEV EGANNRLQLA ALERYFQNKQ ASKLLLEGVM DATA SEQUENCE IYDPARFDLR GTLEHGKDVE IDVNVIIEGN VKLGDRVKIG TGCVLKNVVI DATA SEQUENCE GNDVEIKPYS VLEDSIVGEK AAIGPFSRLR PGAELAAETH VGNFVEIKKS DATA SEQUENCE TVGKGSKVNH LTYVGDSEIG SNCNIGAGVI TCNYDGANKF KTIIGDDVFV DATA SEQUENCE GSDTQLVAPV KVANGATIGA GTTITRDVGE NELVITRVAQ RHIQGWQRPI 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.601 176.600 0.001 0.000 0.988 4 K CA 0.000 56.288 56.287 0.002 0.000 0.838 4 K CB 0.000 32.503 32.500 0.004 0.000 1.064 5 A N 0.323 123.145 122.820 0.004 0.000 2.310 5 A HA 0.619 4.939 4.320 0.000 0.000 0.260 5 A C -0.628 176.956 177.584 -0.000 0.000 1.112 5 A CA -0.285 51.753 52.037 0.002 0.000 0.804 5 A CB 0.214 19.220 19.000 0.010 0.000 1.081 5 A HN 0.634 nan 8.150 nan 0.000 0.499 6 L N -0.500 120.719 121.223 -0.006 0.000 2.472 6 L HA 0.717 5.057 4.340 0.000 0.000 0.260 6 L C -0.524 176.336 176.870 -0.017 0.000 0.963 6 L CA 0.241 55.073 54.840 -0.013 0.000 0.829 6 L CB 2.292 44.341 42.059 -0.017 0.000 1.348 6 L HN 0.630 nan 8.230 nan 0.000 0.408 7 S N 1.900 117.583 115.700 -0.028 0.000 2.595 7 S HA 0.972 5.442 4.470 0.000 0.000 0.281 7 S C -1.090 173.480 174.600 -0.049 0.000 1.117 7 S CA -0.229 57.956 58.200 -0.025 0.000 0.873 7 S CB 1.875 65.102 63.200 0.045 0.000 1.108 7 S HN 0.964 nan 8.310 nan 0.000 0.477 8 A N 1.264 124.061 122.820 -0.039 0.000 2.356 8 A HA 0.879 5.199 4.320 0.000 0.000 0.323 8 A C -1.091 176.498 177.584 0.009 0.000 1.119 8 A CA -0.640 51.369 52.037 -0.047 0.000 0.790 8 A CB 0.983 19.952 19.000 -0.051 0.000 1.273 8 A HN 0.600 nan 8.150 nan 0.000 0.452 9 V N 1.998 121.889 119.914 -0.037 0.000 2.495 9 V HA 0.473 4.593 4.120 0.000 0.000 0.298 9 V C -0.559 175.479 176.094 -0.093 0.000 1.031 9 V CA -0.169 62.128 62.300 -0.004 0.000 0.871 9 V CB 1.372 33.184 31.823 -0.018 0.000 0.988 9 V HN 0.701 nan 8.190 nan 0.000 0.432 10 I N 5.216 125.736 120.570 -0.082 0.000 2.418 10 I HA 0.372 4.542 4.170 0.000 0.000 0.287 10 I C -1.034 175.030 176.117 -0.088 0.000 1.008 10 I CA -0.704 60.527 61.300 -0.114 0.000 1.104 10 I CB 1.878 39.822 38.000 -0.095 0.000 1.264 10 I HN 0.346 nan 8.210 nan 0.000 0.438 11 L N 6.265 127.414 121.223 -0.122 0.000 2.281 11 L HA 0.481 4.821 4.340 0.000 0.000 0.285 11 L C 0.704 177.607 176.870 0.055 0.000 1.074 11 L CA 0.503 55.329 54.840 -0.024 0.000 0.817 11 L CB 1.169 43.219 42.059 -0.014 0.000 1.168 11 L HN 0.784 nan 8.230 nan 0.000 0.434 12 A N 2.910 125.779 122.820 0.083 0.000 2.515 12 A HA 0.611 4.931 4.320 0.000 0.000 0.253 12 A C 1.020 178.694 177.584 0.150 0.000 0.863 12 A CA 0.398 52.498 52.037 0.104 0.000 1.124 12 A CB 0.021 19.062 19.000 0.068 0.000 1.214 12 A HN 0.626 nan 8.150 nan 0.000 0.470 13 A N -0.169 122.742 122.820 0.151 0.000 2.238 13 A HA 0.523 4.843 4.320 0.000 0.000 0.210 13 A C 1.309 179.032 177.584 0.231 0.000 1.179 13 A CA 0.695 52.836 52.037 0.174 0.000 0.827 13 A CB -0.310 18.765 19.000 0.126 0.000 0.856 13 A HN 1.007 nan 8.150 nan 0.000 0.488 14 G N -0.543 108.354 108.800 0.162 0.000 2.483 14 G HA2 0.296 4.256 3.960 0.000 0.000 0.248 14 G HA3 0.296 4.256 3.960 0.000 0.000 0.248 14 G C 0.620 175.526 174.900 0.010 0.000 1.248 14 G CA -0.076 45.080 45.100 0.094 0.000 0.838 14 G HN 0.362 nan 8.290 nan 0.000 0.566 15 K N 1.175 121.438 120.400 -0.229 0.000 2.167 15 K HA 0.091 4.412 4.320 0.000 0.000 0.203 15 K C 1.575 178.099 176.600 -0.127 0.000 1.052 15 K CA 0.843 56.940 56.287 -0.317 0.000 0.956 15 K CB -0.243 31.863 32.500 -0.656 0.000 0.735 15 K HN 1.044 nan 8.250 nan 0.000 0.451 16 G N 1.336 110.077 108.800 -0.098 0.000 2.333 16 G HA2 -0.239 3.721 3.960 0.000 0.000 0.296 16 G HA3 -0.239 3.721 3.960 0.000 0.000 0.296 16 G C 0.416 175.235 174.900 -0.135 0.000 1.059 16 G CA 0.555 45.618 45.100 -0.062 0.000 1.050 16 G HN 0.352 nan 8.290 nan 0.000 0.508 17 T N -0.160 114.278 114.554 -0.193 0.000 2.699 17 T HA -0.145 4.205 4.350 0.000 0.000 0.268 17 T C 2.423 176.778 174.700 -0.576 0.000 1.036 17 T CA 1.776 63.705 62.100 -0.285 0.000 1.147 17 T CB -0.088 68.650 68.868 -0.216 0.000 0.862 17 T HN 0.521 nan 8.240 nan 0.000 0.446 18 R N 0.347 120.558 120.500 -0.483 0.000 2.323 18 R HA 0.227 4.567 4.340 0.000 0.000 0.198 18 R C 1.962 177.979 176.300 -0.471 0.000 0.988 18 R CA 0.338 56.069 56.100 -0.615 0.000 1.041 18 R CB -0.046 30.108 30.300 -0.243 0.000 0.926 18 R HN 0.339 nan 8.270 nan 0.000 0.476 19 M N -1.110 118.276 119.600 -0.356 0.000 2.506 19 M HA 0.026 4.506 4.480 0.000 0.000 0.260 19 M C -0.184 176.079 176.300 -0.062 0.000 1.104 19 M CA 0.521 55.694 55.300 -0.212 0.000 1.112 19 M CB -0.150 32.304 32.600 -0.242 0.000 1.401 19 M HN 0.108 nan 8.290 nan 0.000 0.473 20 Y N 0.620 120.915 120.300 -0.007 0.000 3.001 20 Y HA -0.223 4.327 4.550 0.000 0.000 0.199 20 Y C 0.563 176.484 175.900 0.035 0.000 1.320 20 Y CA 0.322 58.428 58.100 0.010 0.000 0.974 20 Y CB -1.906 36.554 38.460 -0.001 0.000 1.291 20 Y HN 0.260 nan 8.280 nan 0.000 0.465 21 S N -0.789 114.993 115.700 0.137 0.000 2.569 21 S HA 0.457 4.927 4.470 0.000 0.000 0.280 21 S C 0.512 175.177 174.600 0.109 0.000 1.111 21 S CA -0.836 57.460 58.200 0.160 0.000 0.887 21 S CB 1.490 64.877 63.200 0.311 0.000 1.095 21 S HN 0.223 nan 8.310 nan 0.000 0.476 22 D N 1.637 122.089 120.400 0.087 0.000 2.347 22 D HA 0.178 4.819 4.640 0.000 0.000 0.215 22 D C 0.384 176.693 176.300 0.016 0.000 0.976 22 D CA 0.568 54.599 54.000 0.052 0.000 0.884 22 D CB -0.028 40.801 40.800 0.047 0.000 0.915 22 D HN 0.417 nan 8.370 nan 0.000 0.526 23 L N 2.013 123.230 121.223 -0.011 0.000 2.418 23 L HA 0.260 4.601 4.340 0.000 0.000 0.265 23 L C -1.897 174.910 176.870 -0.105 0.000 1.143 23 L CA -1.743 53.014 54.840 -0.140 0.000 0.809 23 L CB 0.788 42.630 42.059 -0.360 0.000 1.124 23 L HN -0.180 nan 8.230 nan 0.000 0.456 24 P HA 0.045 nan 4.420 nan 0.000 0.274 24 P C -0.006 177.260 177.300 -0.056 0.000 1.246 24 P CA -0.489 62.593 63.100 -0.029 0.000 0.795 24 P CB 0.951 32.668 31.700 0.028 0.000 1.006 25 K N 0.772 121.198 120.400 0.044 0.000 2.044 25 K HA -0.147 4.174 4.320 0.000 0.000 0.210 25 K C 1.478 178.159 176.600 0.134 0.000 1.049 25 K CA 2.331 58.695 56.287 0.128 0.000 0.927 25 K CB -0.514 32.036 32.500 0.084 0.000 0.713 25 K HN 0.359 nan 8.250 nan 0.000 0.443 26 V N -1.123 118.825 119.914 0.058 0.000 3.623 26 V HA 0.046 4.166 4.120 0.000 0.000 0.271 26 V C 1.525 177.623 176.094 0.006 0.000 1.248 26 V CA 0.713 63.046 62.300 0.056 0.000 1.156 26 V CB -0.225 31.634 31.823 0.061 0.000 0.870 26 V HN 0.197 nan 8.190 nan 0.000 0.453 27 L N -0.362 120.797 121.223 -0.106 0.000 2.446 27 L HA 0.249 4.589 4.340 0.000 0.000 0.219 27 L C 0.932 177.709 176.870 -0.155 0.000 1.116 27 L CA 0.087 54.830 54.840 -0.162 0.000 0.844 27 L CB -0.439 41.441 42.059 -0.298 0.000 0.970 27 L HN 0.438 nan 8.230 nan 0.000 0.457 28 H N 0.314 119.388 119.070 0.007 0.000 2.897 28 H HA 0.040 4.596 4.556 0.000 0.000 0.347 28 H C 0.760 176.107 175.328 0.031 0.000 1.068 28 H CA 0.246 56.305 56.048 0.018 0.000 1.426 28 H CB 0.461 30.230 29.762 0.011 0.000 1.410 28 H HN 0.052 nan 8.280 nan 0.000 0.597 29 T N 1.235 115.881 114.554 0.154 0.000 2.909 29 T HA 0.457 4.807 4.350 0.000 0.000 0.286 29 T C 0.035 174.783 174.700 0.080 0.000 1.002 29 T CA -0.911 61.254 62.100 0.108 0.000 1.074 29 T CB 0.886 69.808 68.868 0.091 0.000 0.984 29 T HN 0.296 nan 8.240 nan 0.000 0.495 30 I N 1.785 122.398 120.570 0.072 0.000 2.466 30 I HA 0.481 4.652 4.170 0.000 0.000 0.289 30 I C 0.868 177.002 176.117 0.028 0.000 1.026 30 I CA -0.633 60.642 61.300 -0.042 0.000 1.078 30 I CB 0.798 38.600 38.000 -0.331 0.000 1.249 30 I HN 1.175 nan 8.210 nan 0.000 0.429 31 A N 4.891 127.728 122.820 0.027 0.000 2.745 31 A HA -0.098 4.222 4.320 0.000 0.000 0.296 31 A C 1.425 179.068 177.584 0.099 0.000 1.500 31 A CA 1.331 53.432 52.037 0.107 0.000 0.766 31 A CB -1.878 17.242 19.000 0.200 0.000 1.030 31 A HN 2.044 nan 8.150 nan 0.000 0.489 32 G N -2.013 106.831 108.800 0.072 0.000 2.184 32 G HA2 -0.294 3.666 3.960 0.000 0.000 0.264 32 G HA3 -0.294 3.666 3.960 0.000 0.000 0.264 32 G C 0.105 175.027 174.900 0.036 0.000 0.975 32 G CA 1.367 46.498 45.100 0.051 0.000 0.642 32 G HN 1.257 nan 8.290 nan 0.000 0.536 33 K N 0.677 121.102 120.400 0.042 0.000 2.378 33 K HA 0.515 4.836 4.320 0.000 0.000 0.252 33 K C -2.663 173.962 176.600 0.041 0.000 0.931 33 K CA -2.435 53.829 56.287 -0.038 0.000 0.794 33 K CB 2.492 34.819 32.500 -0.288 0.000 1.181 33 K HN -0.115 nan 8.250 nan 0.000 0.425 34 P HA -0.063 nan 4.420 nan 0.000 0.264 34 P C 0.598 177.981 177.300 0.139 0.000 1.179 34 P CA 0.505 63.646 63.100 0.068 0.000 0.763 34 P CB 0.482 32.205 31.700 0.038 0.000 0.806 35 M N 2.558 122.245 119.600 0.146 0.000 2.082 35 M HA -0.196 4.284 4.480 0.000 0.000 0.258 35 M C 1.962 178.347 176.300 0.142 0.000 1.069 35 M CA 1.941 57.335 55.300 0.157 0.000 1.102 35 M CB -0.745 31.904 32.600 0.082 0.000 1.336 35 M HN 0.189 nan 8.290 nan 0.000 0.404 36 V N 0.326 120.286 119.914 0.077 0.000 2.490 36 V HA -0.262 3.858 4.120 0.000 0.000 0.250 36 V C 2.252 178.353 176.094 0.011 0.000 1.061 36 V CA 2.056 64.378 62.300 0.037 0.000 1.064 36 V CB -0.425 31.401 31.823 0.004 0.000 0.670 36 V HN 0.412 nan 8.190 nan 0.000 0.461 37 K N -0.444 119.953 120.400 -0.006 0.000 2.147 37 K HA -0.182 4.138 4.320 0.000 0.000 0.205 37 K C 2.015 178.559 176.600 -0.093 0.000 1.049 37 K CA 1.830 58.073 56.287 -0.074 0.000 0.936 37 K CB -0.536 31.896 32.500 -0.114 0.000 0.722 37 K HN 0.684 nan 8.250 nan 0.000 0.446 38 H N -0.495 118.557 119.070 -0.031 0.000 2.321 38 H HA -0.087 4.469 4.556 0.000 0.000 0.300 38 H C 2.000 177.330 175.328 0.003 0.000 1.087 38 H CA 1.930 57.965 56.048 -0.022 0.000 1.319 38 H CB -0.051 29.675 29.762 -0.060 0.000 1.379 38 H HN 0.048 nan 8.280 nan 0.000 0.501 39 V N 1.193 121.181 119.914 0.124 0.000 2.358 39 V HA -0.196 3.924 4.120 0.000 0.000 0.246 39 V C 2.707 178.818 176.094 0.028 0.000 1.047 39 V CA 1.219 63.563 62.300 0.072 0.000 1.035 39 V CB -0.505 31.349 31.823 0.052 0.000 0.658 39 V HN 0.260 nan 8.190 nan 0.000 0.452 40 I N 0.339 120.905 120.570 -0.008 0.000 2.163 40 I HA -0.271 3.899 4.170 0.000 0.000 0.243 40 I C 2.353 178.471 176.117 0.002 0.000 1.085 40 I CA 1.780 63.057 61.300 -0.039 0.000 1.347 40 I CB -0.477 37.468 38.000 -0.091 0.000 1.044 40 I HN 0.327 nan 8.210 nan 0.000 0.408 41 D N 0.225 120.630 120.400 0.009 0.000 2.117 41 D HA -0.144 4.496 4.640 0.000 0.000 0.197 41 D C 2.216 178.571 176.300 0.093 0.000 0.987 41 D CA 1.583 55.611 54.000 0.046 0.000 0.829 41 D CB -0.389 40.423 40.800 0.019 0.000 0.961 41 D HN 0.277 nan 8.370 nan 0.000 0.460 42 T N 0.695 115.298 114.554 0.082 0.000 2.746 42 T HA -0.097 4.254 4.350 0.000 0.000 0.267 42 T C 1.991 176.725 174.700 0.056 0.000 1.039 42 T CA 1.384 63.532 62.100 0.080 0.000 1.142 42 T CB -0.206 68.716 68.868 0.090 0.000 0.866 42 T HN 0.189 nan 8.240 nan 0.000 0.444 43 A N 0.958 123.806 122.820 0.047 0.000 1.902 43 A HA -0.165 4.155 4.320 0.000 0.000 0.217 43 A C 2.010 179.614 177.584 0.033 0.000 1.181 43 A CA 2.205 54.257 52.037 0.024 0.000 0.623 43 A CB -0.920 18.079 19.000 -0.000 0.000 0.818 43 A HN 0.648 nan 8.150 nan 0.000 0.443 44 H N 0.586 119.636 119.070 -0.033 0.000 2.321 44 H HA -0.155 4.401 4.556 0.000 0.000 0.300 44 H C 2.236 177.553 175.328 -0.018 0.000 1.087 44 H CA 2.159 58.186 56.048 -0.034 0.000 1.319 44 H CB -0.183 29.556 29.762 -0.039 0.000 1.379 44 H HN 0.680 nan 8.280 nan 0.000 0.501 45 Q N -0.339 119.428 119.800 -0.055 0.000 2.436 45 Q HA -0.062 4.279 4.340 0.000 0.000 0.209 45 Q C 1.758 177.709 176.000 -0.082 0.000 0.965 45 Q CA 0.813 56.557 55.803 -0.098 0.000 0.910 45 Q CB -0.115 28.627 28.738 0.008 0.000 0.980 45 Q HN 0.412 nan 8.270 nan 0.000 0.491 46 L N 0.706 121.895 121.223 -0.057 0.000 2.291 46 L HA 0.164 4.504 4.340 0.000 0.000 0.214 46 L C 1.167 177.998 176.870 -0.065 0.000 1.120 46 L CA 2.077 56.893 54.840 -0.040 0.000 0.799 46 L CB -0.165 41.885 42.059 -0.015 0.000 0.925 46 L HN 0.536 nan 8.230 nan 0.000 0.446 47 G N -1.845 106.885 108.800 -0.116 0.000 2.143 47 G HA2 -0.208 3.752 3.960 0.000 0.000 0.175 47 G HA3 -0.208 3.752 3.960 0.000 0.000 0.175 47 G C 0.373 175.218 174.900 -0.092 0.000 1.004 47 G CA 0.169 45.197 45.100 -0.121 0.000 0.671 47 G HN 0.260 nan 8.290 nan 0.000 0.512 48 S N 0.063 115.716 115.700 -0.078 0.000 2.516 48 S HA 0.300 4.770 4.470 0.000 0.000 0.282 48 S C 1.334 175.913 174.600 -0.035 0.000 1.286 48 S CA 0.588 58.761 58.200 -0.045 0.000 1.066 48 S CB 1.625 64.804 63.200 -0.035 0.000 0.884 48 S HN 0.574 nan 8.310 nan 0.000 0.491 49 E N 3.818 124.000 120.200 -0.030 0.000 2.051 49 E HA -0.057 4.293 4.350 0.000 0.000 0.189 49 E C -0.126 176.447 176.600 -0.046 0.000 0.979 49 E CA 0.857 57.244 56.400 -0.021 0.000 0.803 49 E CB 0.225 29.922 29.700 -0.005 0.000 0.761 49 E HN 0.718 nan 8.360 nan 0.000 0.451 50 N N -0.545 118.104 118.700 -0.085 0.000 2.272 50 N HA 0.436 5.176 4.740 0.000 0.000 0.305 50 N C -1.310 174.024 175.510 -0.293 0.000 1.103 50 N CA -0.560 52.357 53.050 -0.223 0.000 0.791 50 N CB 2.376 40.685 38.487 -0.295 0.000 1.356 50 N HN -0.029 nan 8.380 nan 0.000 0.486 51 I N 1.960 122.300 120.570 -0.384 0.000 2.439 51 I HA 0.192 4.363 4.170 0.000 0.000 0.283 51 I C -0.732 175.123 176.117 -0.436 0.000 1.023 51 I CA -0.681 60.426 61.300 -0.321 0.000 1.100 51 I CB 0.866 38.739 38.000 -0.212 0.000 1.238 51 I HN 0.425 nan 8.210 nan 0.000 0.445 52 H N 6.551 125.553 119.070 -0.114 0.000 2.705 52 H HA 0.259 4.816 4.556 0.000 0.000 0.291 52 H C -0.631 174.606 175.328 -0.152 0.000 1.085 52 H CA -0.712 55.260 56.048 -0.127 0.000 1.357 52 H CB 2.065 31.820 29.762 -0.011 0.000 1.419 52 H HN 0.312 nan 8.280 nan 0.000 0.462 53 L N 5.844 126.972 121.223 -0.158 0.000 2.259 53 L HA 0.198 4.538 4.340 0.000 0.000 0.288 53 L C -0.553 176.309 176.870 -0.013 0.000 1.051 53 L CA -0.553 54.167 54.840 -0.200 0.000 0.824 53 L CB 0.161 41.896 42.059 -0.540 0.000 1.206 53 L HN 0.418 nan 8.230 nan 0.000 0.429 54 I N 7.042 127.641 120.570 0.047 0.000 2.363 54 I HA 0.163 4.333 4.170 0.000 0.000 0.292 54 I C -0.073 176.172 176.117 0.212 0.000 1.075 54 I CA -0.184 61.189 61.300 0.121 0.000 1.333 54 I CB -0.633 37.395 38.000 0.047 0.000 1.415 54 I HN 0.577 nan 8.210 nan 0.000 0.502 55 Y N 4.335 124.668 120.300 0.055 0.000 2.633 55 Y HA 0.935 5.486 4.550 0.000 0.000 0.339 55 Y C 0.313 176.263 175.900 0.083 0.000 1.045 55 Y CA -1.013 57.144 58.100 0.096 0.000 1.098 55 Y CB 1.566 40.135 38.460 0.181 0.000 1.296 55 Y HN 0.526 nan 8.280 nan 0.000 0.494 56 G N -0.100 108.641 108.800 -0.098 0.000 3.410 56 G HA2 0.086 4.046 3.960 0.000 0.000 0.127 56 G HA3 0.086 4.046 3.960 0.000 0.000 0.127 56 G C -1.087 173.717 174.900 -0.160 0.000 1.332 56 G CA -0.512 44.437 45.100 -0.252 0.000 1.156 56 G HN 0.757 nan 8.290 nan 0.000 0.591 57 H N 0.580 119.650 119.070 -0.000 0.000 2.871 57 H HA 0.406 4.962 4.556 0.000 0.000 0.355 57 H C 1.387 176.744 175.328 0.049 0.000 1.092 57 H CA 1.412 57.471 56.048 0.018 0.000 1.420 57 H CB 0.756 30.530 29.762 0.021 0.000 1.400 57 H HN 1.047 nan 8.280 nan 0.000 0.604 58 G N 1.953 110.847 108.800 0.156 0.000 2.341 58 G HA2 -0.321 3.639 3.960 0.000 0.000 0.292 58 G HA3 -0.321 3.639 3.960 0.000 0.000 0.292 58 G C 1.426 176.401 174.900 0.126 0.000 1.021 58 G CA 0.665 45.825 45.100 0.101 0.000 0.905 58 G HN 0.998 nan 8.290 nan 0.000 0.508 59 G N 0.103 108.982 108.800 0.132 0.000 2.476 59 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 59 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 59 G C 1.318 176.331 174.900 0.188 0.000 1.164 59 G CA 1.616 46.861 45.100 0.242 0.000 0.768 59 G HN 0.635 nan 8.290 nan 0.000 0.560 60 D N 0.054 120.505 120.400 0.084 0.000 2.144 60 D HA -0.037 4.603 4.640 0.000 0.000 0.199 60 D C 2.598 178.923 176.300 0.042 0.000 0.984 60 D CA 0.590 54.610 54.000 0.033 0.000 0.834 60 D CB -0.214 40.598 40.800 0.020 0.000 0.955 60 D HN 0.341 nan 8.370 nan 0.000 0.465 61 L N -0.367 120.891 121.223 0.057 0.000 2.093 61 L HA -0.121 4.219 4.340 0.000 0.000 0.208 61 L C 2.548 179.456 176.870 0.064 0.000 1.085 61 L CA 0.576 55.449 54.840 0.054 0.000 0.755 61 L CB -0.389 41.628 42.059 -0.070 0.000 0.904 61 L HN 0.152 nan 8.230 nan 0.000 0.435 62 M N -0.365 119.285 119.600 0.084 0.000 2.108 62 M HA -0.199 4.281 4.480 0.000 0.000 0.261 62 M C 2.447 178.836 176.300 0.148 0.000 1.066 62 M CA 1.799 57.198 55.300 0.165 0.000 1.107 62 M CB -1.050 31.735 32.600 0.308 0.000 1.356 62 M HN 0.258 nan 8.290 nan 0.000 0.406 63 R N -0.320 120.121 120.500 -0.098 0.000 2.075 63 R HA -0.091 4.250 4.340 0.000 0.000 0.232 63 R C 2.259 178.480 176.300 -0.132 0.000 1.126 63 R CA 2.034 57.899 56.100 -0.391 0.000 0.963 63 R CB -1.024 28.987 30.300 -0.481 0.000 0.858 63 R HN 0.561 nan 8.270 nan 0.000 0.435 64 T N -1.701 112.852 114.554 -0.003 0.000 2.812 64 T HA -0.109 4.241 4.350 0.000 0.000 0.264 64 T C 1.629 176.356 174.700 0.044 0.000 1.042 64 T CA 1.179 63.289 62.100 0.018 0.000 1.140 64 T CB -0.435 68.460 68.868 0.044 0.000 0.870 64 T HN 0.267 nan 8.240 nan 0.000 0.445 65 H N 0.977 120.049 119.070 0.002 0.000 2.495 65 H HA 0.346 4.902 4.556 0.000 0.000 0.287 65 H C 1.215 176.565 175.328 0.037 0.000 1.033 65 H CA 0.754 56.812 56.048 0.015 0.000 1.307 65 H CB -0.151 29.620 29.762 0.016 0.000 1.401 65 H HN 0.327 nan 8.280 nan 0.000 0.555 66 L N -0.662 120.684 121.223 0.205 0.000 3.202 66 L HA 0.387 4.727 4.340 0.000 0.000 0.278 66 L C 1.716 178.729 176.870 0.239 0.000 1.268 66 L CA -0.049 54.914 54.840 0.204 0.000 1.034 66 L CB 0.501 42.714 42.059 0.257 0.000 1.407 66 L HN 0.147 nan 8.230 nan 0.000 0.581 67 A N 0.528 123.418 122.820 0.116 0.000 1.948 67 A HA -0.235 4.086 4.320 0.000 0.000 0.220 67 A C 1.917 179.550 177.584 0.083 0.000 1.177 67 A CA 2.136 54.207 52.037 0.058 0.000 0.636 67 A CB -0.350 18.637 19.000 -0.022 0.000 0.815 67 A HN 0.486 nan 8.150 nan 0.000 0.449 68 N N 0.008 118.741 118.700 0.055 0.000 2.336 68 N HA 0.032 4.773 4.740 0.000 0.000 0.189 68 N C -0.506 175.011 175.510 0.011 0.000 1.113 68 N CA 0.023 53.087 53.050 0.023 0.000 0.858 68 N CB 0.045 38.527 38.487 -0.008 0.000 0.970 68 N HN 0.292 nan 8.380 nan 0.000 0.471 69 E N 0.749 120.971 120.200 0.035 0.000 2.316 69 E HA 0.042 4.393 4.350 0.000 0.000 0.275 69 E C -0.117 176.444 176.600 -0.065 0.000 1.029 69 E CA 0.025 56.397 56.400 -0.047 0.000 0.871 69 E CB 0.507 30.151 29.700 -0.093 0.000 1.022 69 E HN 0.331 nan 8.360 nan 0.000 0.418 70 Q N 1.693 121.422 119.800 -0.119 0.000 2.815 70 Q HA 0.198 4.539 4.340 0.000 0.000 0.235 70 Q C 0.175 176.065 176.000 -0.183 0.000 1.354 70 Q CA -0.195 55.536 55.803 -0.120 0.000 0.953 70 Q CB -0.399 28.265 28.738 -0.124 0.000 1.613 70 Q HN 0.289 nan 8.270 nan 0.000 0.572 71 V N -1.274 118.494 119.914 -0.244 0.000 3.078 71 V HA 0.467 4.587 4.120 0.000 0.000 0.311 71 V C -0.735 175.120 176.094 -0.398 0.000 1.138 71 V CA -1.344 60.718 62.300 -0.397 0.000 1.007 71 V CB 2.307 33.762 31.823 -0.615 0.000 1.045 71 V HN 0.570 nan 8.190 nan 0.000 0.432 72 N N 1.691 120.154 118.700 -0.395 0.000 2.422 72 N HA 0.289 5.030 4.740 0.000 0.000 0.264 72 N C -1.421 173.926 175.510 -0.273 0.000 1.063 72 N CA -0.557 52.328 53.050 -0.275 0.000 0.959 72 N CB 0.730 39.043 38.487 -0.291 0.000 1.087 72 N HN 0.769 nan 8.380 nan 0.000 0.483 73 W N 4.099 125.329 121.300 -0.117 0.000 2.433 73 W HA 0.281 4.941 4.660 0.000 0.000 0.331 73 W C -0.383 176.210 176.519 0.123 0.000 1.110 73 W CA -0.614 56.690 57.345 -0.069 0.000 1.450 73 W CB 0.651 30.020 29.460 -0.150 0.000 1.348 73 W HN 0.119 nan 8.180 nan 0.000 0.415 74 V N 6.528 126.653 119.914 0.353 0.000 2.277 74 V HA 0.136 4.257 4.120 0.000 0.000 0.269 74 V C -0.211 176.059 176.094 0.293 0.000 1.036 74 V CA -0.975 61.486 62.300 0.268 0.000 0.821 74 V CB 0.499 32.403 31.823 0.136 0.000 1.052 74 V HN 0.219 nan 8.190 nan 0.000 0.462 75 L N 4.885 126.213 121.223 0.176 0.000 2.315 75 L HA 0.351 4.691 4.340 0.000 0.000 0.283 75 L C 0.245 177.025 176.870 -0.150 0.000 1.089 75 L CA 0.513 55.215 54.840 -0.229 0.000 0.833 75 L CB 0.920 42.812 42.059 -0.279 0.000 1.170 75 L HN 0.758 nan 8.230 nan 0.000 0.442 76 Q N 2.657 122.354 119.800 -0.172 0.000 2.360 76 Q HA 0.177 4.517 4.340 0.000 0.000 0.254 76 Q C 0.750 176.688 176.000 -0.105 0.000 0.975 76 Q CA 0.177 55.920 55.803 -0.100 0.000 0.912 76 Q CB 1.057 29.759 28.738 -0.059 0.000 1.212 76 Q HN 0.895 nan 8.270 nan 0.000 0.452 77 T N 0.672 115.190 114.554 -0.061 0.000 2.904 77 T HA -0.022 4.328 4.350 0.000 0.000 0.267 77 T C -0.009 174.663 174.700 -0.047 0.000 1.059 77 T CA 0.753 62.810 62.100 -0.072 0.000 1.137 77 T CB 0.094 68.936 68.868 -0.044 0.000 0.879 77 T HN 0.636 nan 8.240 nan 0.000 0.467 78 E N 0.686 120.904 120.200 0.029 0.000 2.272 78 E HA 0.360 4.710 4.350 0.000 0.000 0.269 78 E C -1.199 175.466 176.600 0.108 0.000 0.877 78 E CA -0.735 55.688 56.400 0.038 0.000 0.755 78 E CB 1.738 31.444 29.700 0.011 0.000 1.192 78 E HN 0.209 nan 8.360 nan 0.000 0.422 79 Q N 2.297 122.154 119.800 0.094 0.000 2.553 79 Q HA 0.194 4.534 4.340 0.000 0.000 0.221 79 Q C 0.226 176.279 176.000 0.089 0.000 1.219 79 Q CA 0.024 55.903 55.803 0.127 0.000 0.955 79 Q CB 0.298 29.118 28.738 0.136 0.000 1.399 79 Q HN 0.493 nan 8.270 nan 0.000 0.551 80 L N 0.737 122.023 121.223 0.104 0.000 2.700 80 L HA 0.374 4.714 4.340 0.000 0.000 0.234 80 L C 0.714 177.651 176.870 0.111 0.000 1.156 80 L CA -0.318 54.540 54.840 0.031 0.000 0.946 80 L CB 0.285 42.222 42.059 -0.202 0.000 1.216 80 L HN 0.673 nan 8.230 nan 0.000 0.493 81 G N -0.487 108.376 108.800 0.104 0.000 2.362 81 G HA2 -0.151 3.810 3.960 0.000 0.000 0.656 81 G HA3 -0.151 3.810 3.960 0.000 0.000 0.656 81 G C 0.442 175.414 174.900 0.120 0.000 1.376 81 G CA -0.209 44.907 45.100 0.028 0.000 0.971 81 G HN 0.044 nan 8.290 nan 0.000 0.636 82 T N -1.616 113.003 114.554 0.110 0.000 2.833 82 T HA 0.144 4.494 4.350 0.000 0.000 0.269 82 T C 2.578 177.385 174.700 0.178 0.000 1.054 82 T CA 2.388 64.597 62.100 0.183 0.000 1.135 82 T CB -0.250 68.783 68.868 0.275 0.000 0.869 82 T HN 1.917 nan 8.240 nan 0.000 0.466 83 A N 1.336 124.279 122.820 0.204 0.000 1.930 83 A HA -0.059 4.261 4.320 0.000 0.000 0.217 83 A C 2.199 179.867 177.584 0.139 0.000 1.175 83 A CA 1.816 53.978 52.037 0.208 0.000 0.627 83 A CB -1.111 18.048 19.000 0.265 0.000 0.815 83 A HN 0.699 nan 8.150 nan 0.000 0.443 84 H N 0.202 119.288 119.070 0.026 0.000 2.353 84 H HA 0.051 4.607 4.556 0.000 0.000 0.300 84 H C 2.131 177.437 175.328 -0.037 0.000 1.090 84 H CA 1.747 57.748 56.048 -0.077 0.000 1.327 84 H CB -0.278 29.428 29.762 -0.093 0.000 1.383 84 H HN 0.375 nan 8.280 nan 0.000 0.508 85 A N -0.040 122.755 122.820 -0.043 0.000 1.858 85 A HA -0.136 4.184 4.320 0.000 0.000 0.216 85 A C 2.697 180.218 177.584 -0.104 0.000 1.190 85 A CA 1.963 53.947 52.037 -0.088 0.000 0.617 85 A CB -1.032 17.983 19.000 0.025 0.000 0.827 85 A HN 0.322 nan 8.150 nan 0.000 0.443 86 V N 0.078 119.967 119.914 -0.042 0.000 2.490 86 V HA -0.288 3.832 4.120 0.000 0.000 0.250 86 V C 2.643 178.671 176.094 -0.110 0.000 1.061 86 V CA 2.177 64.452 62.300 -0.042 0.000 1.064 86 V CB -0.847 30.972 31.823 -0.006 0.000 0.670 86 V HN 0.746 nan 8.190 nan 0.000 0.461 87 Q N -0.609 119.115 119.800 -0.127 0.000 2.291 87 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 87 Q C 2.317 178.149 176.000 -0.280 0.000 0.976 87 Q CA 1.049 56.737 55.803 -0.191 0.000 0.875 87 Q CB 0.021 28.680 28.738 -0.131 0.000 0.927 87 Q HN 0.602 nan 8.270 nan 0.000 0.450 88 Q N -0.597 119.035 119.800 -0.281 0.000 2.181 88 Q HA -0.141 4.199 4.340 0.000 0.000 0.205 88 Q C 1.649 177.556 176.000 -0.155 0.000 0.980 88 Q CA 1.524 57.194 55.803 -0.222 0.000 0.862 88 Q CB -0.145 28.479 28.738 -0.191 0.000 0.905 88 Q HN 0.448 nan 8.270 nan 0.000 0.429 89 A N 0.087 122.768 122.820 -0.230 0.000 2.195 89 A HA 0.315 4.636 4.320 0.000 0.000 0.210 89 A C 2.188 179.265 177.584 -0.845 0.000 1.165 89 A CA 0.842 52.714 52.037 -0.275 0.000 0.806 89 A CB -0.142 18.710 19.000 -0.247 0.000 0.847 89 A HN 0.280 nan 8.150 nan 0.000 0.482 90 A N 1.287 123.458 122.820 -1.082 0.000 1.940 90 A HA -0.051 4.269 4.320 0.000 0.000 0.219 90 A C 0.010 177.032 177.584 -0.936 0.000 1.176 90 A CA 1.817 52.933 52.037 -1.535 0.000 0.631 90 A CB -1.562 17.008 19.000 -0.716 0.000 0.814 90 A HN 0.423 nan 8.150 nan 0.000 0.446 91 P HA -0.125 nan 4.420 nan 0.000 0.222 91 P C 0.476 177.359 177.300 -0.694 0.000 1.142 91 P CA 0.967 63.653 63.100 -0.691 0.000 0.788 91 P CB -0.159 31.023 31.700 -0.862 0.000 0.767 92 F N -3.111 116.645 119.950 -0.323 0.000 2.695 92 F HA 0.232 4.759 4.527 0.000 0.000 0.303 92 F C 1.030 176.872 175.800 0.070 0.000 1.091 92 F CA -0.541 57.392 58.000 -0.112 0.000 1.300 92 F CB -0.682 38.278 39.000 -0.067 0.000 1.071 92 F HN -0.212 nan 8.300 nan 0.000 0.578 93 F N 2.282 122.238 119.950 0.010 0.000 2.495 93 F HA 0.151 4.678 4.527 0.000 0.000 0.365 93 F C 0.940 176.766 175.800 0.043 0.000 1.090 93 F CA -0.883 57.135 58.000 0.029 0.000 1.235 93 F CB 0.410 39.406 39.000 -0.008 0.000 1.119 93 F HN -0.257 nan 8.300 nan 0.000 0.562 94 K N 3.078 123.628 120.400 0.249 0.000 2.298 94 K HA 0.010 4.330 4.320 0.000 0.000 0.280 94 K C 0.301 176.971 176.600 0.116 0.000 1.032 94 K CA -0.539 55.833 56.287 0.142 0.000 0.958 94 K CB 0.878 33.442 32.500 0.107 0.000 0.978 94 K HN 0.569 nan 8.250 nan 0.000 0.472 95 D N 1.881 122.327 120.400 0.076 0.000 2.123 95 D HA -0.154 4.486 4.640 0.000 0.000 0.196 95 D C 0.493 176.812 176.300 0.031 0.000 0.992 95 D CA 1.660 55.689 54.000 0.049 0.000 0.833 95 D CB 0.055 40.866 40.800 0.019 0.000 0.954 95 D HN 0.562 nan 8.370 nan 0.000 0.455 96 N N 0.406 119.123 118.700 0.028 0.000 2.321 96 N HA 0.059 4.799 4.740 0.000 0.000 0.242 96 N C -0.380 175.141 175.510 0.019 0.000 1.141 96 N CA -0.216 52.843 53.050 0.016 0.000 0.864 96 N CB 0.680 39.173 38.487 0.010 0.000 1.100 96 N HN 0.330 nan 8.380 nan 0.000 0.510 97 E N -0.263 119.954 120.200 0.028 0.000 2.212 97 E HA 0.304 4.654 4.350 0.000 0.000 0.270 97 E C -0.750 175.855 176.600 0.008 0.000 0.956 97 E CA -0.907 55.504 56.400 0.019 0.000 0.825 97 E CB 0.983 30.701 29.700 0.030 0.000 1.167 97 E HN -0.082 nan 8.360 nan 0.000 0.400 98 N N 1.972 120.674 118.700 0.003 0.000 2.525 98 N HA 0.250 4.990 4.740 0.000 0.000 0.271 98 N C -0.693 174.803 175.510 -0.024 0.000 1.194 98 N CA -0.087 52.968 53.050 0.008 0.000 0.964 98 N CB 0.672 39.167 38.487 0.014 0.000 1.126 98 N HN 0.466 nan 8.380 nan 0.000 0.452 99 I N 1.626 122.195 120.570 -0.001 0.000 2.466 99 I HA 0.243 4.414 4.170 0.000 0.000 0.289 99 I C -0.372 175.755 176.117 0.016 0.000 1.026 99 I CA -0.742 60.482 61.300 -0.127 0.000 1.078 99 I CB 1.676 39.385 38.000 -0.485 0.000 1.249 99 I HN 0.050 nan 8.210 nan 0.000 0.429 100 V N 7.993 127.880 119.914 -0.046 0.000 2.459 100 V HA 0.525 4.645 4.120 0.000 0.000 0.295 100 V C -0.540 175.522 176.094 -0.055 0.000 1.029 100 V CA -0.377 61.927 62.300 0.007 0.000 0.874 100 V CB 2.133 33.963 31.823 0.012 0.000 0.985 100 V HN 0.418 nan 8.190 nan 0.000 0.438 101 V N 8.305 128.207 119.914 -0.020 0.000 2.370 101 V HA 0.532 4.652 4.120 0.000 0.000 0.279 101 V C -0.029 175.962 176.094 -0.170 0.000 1.029 101 V CA -0.302 61.925 62.300 -0.121 0.000 0.870 101 V CB 1.178 32.956 31.823 -0.075 0.000 0.984 101 V HN 0.750 nan 8.190 nan 0.000 0.451 102 L N 4.537 125.586 121.223 -0.290 0.000 2.309 102 L HA 0.655 4.995 4.340 0.000 0.000 0.261 102 L C -1.394 175.177 176.870 -0.499 0.000 1.021 102 L CA -0.885 53.810 54.840 -0.242 0.000 0.823 102 L CB 2.263 44.285 42.059 -0.060 0.000 1.366 102 L HN 0.457 nan 8.230 nan 0.000 0.423 103 Y N -0.871 119.455 120.300 0.042 0.000 2.341 103 Y HA 0.360 4.910 4.550 0.000 0.000 0.338 103 Y C 1.115 177.037 175.900 0.037 0.000 0.965 103 Y CA -0.624 57.502 58.100 0.044 0.000 1.108 103 Y CB 1.887 40.377 38.460 0.050 0.000 1.180 103 Y HN 0.694 nan 8.280 nan 0.000 0.458 104 G N 0.887 109.767 108.800 0.134 0.000 2.509 104 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 104 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 104 G C 0.662 175.623 174.900 0.103 0.000 1.124 104 G CA 0.933 46.087 45.100 0.090 0.000 0.776 104 G HN 0.756 nan 8.290 nan 0.000 0.547 105 D N -0.383 120.096 120.400 0.131 0.000 2.388 105 D HA 0.405 5.045 4.640 0.000 0.000 0.221 105 D C 0.745 177.091 176.300 0.077 0.000 1.133 105 D CA -0.043 54.015 54.000 0.096 0.000 0.831 105 D CB 0.173 41.027 40.800 0.090 0.000 0.962 105 D HN 0.142 nan 8.370 nan 0.000 0.502 106 A N 1.833 124.713 122.820 0.099 0.000 2.978 106 A HA 0.449 4.770 4.320 0.000 0.000 0.341 106 A C -1.995 175.624 177.584 0.058 0.000 1.105 106 A CA -0.987 51.090 52.037 0.067 0.000 0.819 106 A CB 1.217 20.270 19.000 0.089 0.000 1.080 106 A HN -0.015 nan 8.150 nan 0.000 0.476 107 P HA 0.025 nan 4.420 nan 0.000 0.240 107 P C 0.900 178.187 177.300 -0.022 0.000 1.190 107 P CA 0.412 63.502 63.100 -0.017 0.000 0.781 107 P CB 0.250 31.861 31.700 -0.148 0.000 0.931 108 L N -0.952 120.277 121.223 0.011 0.000 2.591 108 L HA 0.128 4.469 4.340 0.000 0.000 0.228 108 L C 1.269 178.217 176.870 0.130 0.000 1.133 108 L CA -0.542 54.360 54.840 0.103 0.000 0.880 108 L CB -0.502 41.634 42.059 0.129 0.000 1.033 108 L HN -0.070 nan 8.230 nan 0.000 0.450 109 I N 1.640 122.267 120.570 0.094 0.000 2.741 109 I HA -0.070 4.100 4.170 0.000 0.000 0.288 109 I C 0.996 177.178 176.117 0.108 0.000 1.192 109 I CA 0.313 61.669 61.300 0.093 0.000 1.426 109 I CB 0.609 38.662 38.000 0.088 0.000 1.367 109 I HN 0.116 nan 8.210 nan 0.000 0.563 110 T N 3.793 118.408 114.554 0.102 0.000 2.928 110 T HA 0.276 4.626 4.350 0.000 0.000 0.284 110 T C 1.000 175.745 174.700 0.075 0.000 1.008 110 T CA -0.637 61.523 62.100 0.100 0.000 1.057 110 T CB 1.316 70.242 68.868 0.097 0.000 1.018 110 T HN 0.743 nan 8.240 nan 0.000 0.493 111 K N 0.675 121.116 120.400 0.070 0.000 2.103 111 K HA -0.207 4.113 4.320 0.000 0.000 0.207 111 K C 1.637 178.260 176.600 0.039 0.000 1.048 111 K CA 1.821 58.137 56.287 0.049 0.000 0.930 111 K CB -0.149 32.376 32.500 0.043 0.000 0.716 111 K HN 0.704 nan 8.250 nan 0.000 0.444 112 E N 0.007 120.232 120.200 0.042 0.000 2.047 112 E HA -0.110 4.241 4.350 0.000 0.000 0.191 112 E C 2.002 178.622 176.600 0.033 0.000 0.987 112 E CA 1.891 58.310 56.400 0.033 0.000 0.799 112 E CB -0.433 29.288 29.700 0.034 0.000 0.752 112 E HN 0.270 nan 8.360 nan 0.000 0.449 113 T N 0.770 115.348 114.554 0.041 0.000 2.788 113 T HA -0.091 4.260 4.350 0.000 0.000 0.268 113 T C 1.741 176.464 174.700 0.037 0.000 1.044 113 T CA 0.887 63.010 62.100 0.038 0.000 1.139 113 T CB -0.186 68.708 68.868 0.045 0.000 0.867 113 T HN 0.060 nan 8.240 nan 0.000 0.454 114 L N 0.286 121.533 121.223 0.040 0.000 2.240 114 L HA 0.027 4.368 4.340 0.000 0.000 0.211 114 L C 2.601 179.488 176.870 0.029 0.000 1.106 114 L CA 1.016 55.879 54.840 0.038 0.000 0.793 114 L CB -0.398 41.685 42.059 0.040 0.000 0.927 114 L HN 0.292 nan 8.230 nan 0.000 0.446 115 E N 0.259 120.473 120.200 0.024 0.000 2.072 115 E HA -0.198 4.152 4.350 0.000 0.000 0.191 115 E C 2.135 178.746 176.600 0.018 0.000 0.985 115 E CA 0.945 57.355 56.400 0.017 0.000 0.801 115 E CB 0.105 29.813 29.700 0.013 0.000 0.750 115 E HN 0.343 nan 8.360 nan 0.000 0.452 116 K N 0.449 120.861 120.400 0.020 0.000 2.103 116 K HA -0.181 4.139 4.320 0.000 0.000 0.207 116 K C 2.221 178.833 176.600 0.021 0.000 1.048 116 K CA 0.782 57.081 56.287 0.018 0.000 0.930 116 K CB -0.190 32.321 32.500 0.019 0.000 0.716 116 K HN 0.059 nan 8.250 nan 0.000 0.444 117 L N 1.531 122.769 121.223 0.026 0.000 2.017 117 L HA -0.137 4.204 4.340 0.000 0.000 0.208 117 L C 2.023 178.911 176.870 0.030 0.000 1.073 117 L CA 1.484 56.343 54.840 0.031 0.000 0.745 117 L CB -0.294 41.790 42.059 0.040 0.000 0.894 117 L HN 0.098 nan 8.230 nan 0.000 0.432 118 I N -0.505 120.082 120.570 0.028 0.000 2.286 118 I HA -0.299 3.871 4.170 0.000 0.000 0.248 118 I C 2.479 178.608 176.117 0.019 0.000 1.115 118 I CA 1.632 62.947 61.300 0.024 0.000 1.392 118 I CB -0.234 37.777 38.000 0.019 0.000 1.065 118 I HN 0.419 nan 8.210 nan 0.000 0.418 119 E N 0.955 121.165 120.200 0.016 0.000 2.208 119 E HA -0.153 4.197 4.350 0.000 0.000 0.193 119 E C 2.048 178.656 176.600 0.013 0.000 0.988 119 E CA 1.029 57.436 56.400 0.013 0.000 0.828 119 E CB 0.037 29.744 29.700 0.011 0.000 0.763 119 E HN 0.477 nan 8.360 nan 0.000 0.478 120 A N 0.705 123.534 122.820 0.016 0.000 2.218 120 A HA 0.017 4.337 4.320 0.000 0.000 0.209 120 A C 1.033 178.627 177.584 0.017 0.000 1.168 120 A CA -0.104 51.942 52.037 0.015 0.000 0.804 120 A CB -0.138 18.871 19.000 0.015 0.000 0.834 120 A HN 0.019 nan 8.150 nan 0.000 0.482 121 K N 2.130 122.542 120.400 0.020 0.000 2.402 121 K HA 0.171 4.492 4.320 0.000 0.000 0.285 121 K C -2.504 174.109 176.600 0.020 0.000 1.054 121 K CA -1.440 54.860 56.287 0.022 0.000 1.001 121 K CB 0.513 33.028 32.500 0.026 0.000 0.946 121 K HN 0.151 nan 8.250 nan 0.000 0.473 122 P HA 0.041 nan 4.420 nan 0.000 0.276 122 P C -0.946 176.370 177.300 0.026 0.000 1.244 122 P CA -0.364 62.749 63.100 0.022 0.000 0.801 122 P CB 0.534 32.248 31.700 0.024 0.000 1.006 123 E N 1.565 121.777 120.200 0.020 0.000 2.414 123 E HA -0.051 4.299 4.350 0.000 0.000 0.263 123 E C -0.139 176.476 176.600 0.025 0.000 1.000 123 E CA -0.340 56.069 56.400 0.016 0.000 0.914 123 E CB -0.383 29.323 29.700 0.010 0.000 0.948 123 E HN 0.284 nan 8.360 nan 0.000 0.444 124 N N 0.977 119.684 118.700 0.012 0.000 2.778 124 N HA -0.160 4.580 4.740 0.000 0.000 0.249 124 N C -0.008 175.570 175.510 0.115 0.000 1.069 124 N CA 1.463 54.522 53.050 0.015 0.000 0.831 124 N CB -1.405 37.091 38.487 0.016 0.000 1.142 124 N HN 0.736 nan 8.380 nan 0.000 0.573 125 G N -0.610 108.257 108.800 0.111 0.000 2.990 125 G HA2 0.838 4.798 3.960 0.000 0.000 0.208 125 G HA3 0.838 4.798 3.960 0.000 0.000 0.208 125 G C -0.476 174.503 174.900 0.132 0.000 1.334 125 G CA -0.562 44.633 45.100 0.157 0.000 1.024 125 G HN 0.111 nan 8.290 nan 0.000 0.574 126 I N 0.152 120.762 120.570 0.067 0.000 2.582 126 I HA 0.548 4.718 4.170 0.000 0.000 0.292 126 I C -0.130 175.998 176.117 0.018 0.000 1.066 126 I CA -0.950 60.366 61.300 0.026 0.000 1.053 126 I CB 2.435 40.422 38.000 -0.023 0.000 1.241 126 I HN 0.543 nan 8.210 nan 0.000 0.421 127 A N 6.236 129.073 122.820 0.027 0.000 2.276 127 A HA 0.753 5.073 4.320 0.000 0.000 0.316 127 A C -1.118 176.490 177.584 0.040 0.000 1.229 127 A CA -0.378 51.676 52.037 0.029 0.000 0.851 127 A CB 0.927 19.946 19.000 0.032 0.000 1.165 127 A HN 0.584 nan 8.150 nan 0.000 0.513 128 L N 3.265 124.506 121.223 0.030 0.000 2.313 128 L HA 0.633 4.973 4.340 0.000 0.000 0.283 128 L C -0.886 176.006 176.870 0.036 0.000 1.013 128 L CA -0.681 54.183 54.840 0.040 0.000 0.816 128 L CB 1.566 43.639 42.059 0.023 0.000 1.236 128 L HN 0.638 nan 8.230 nan 0.000 0.419 129 L N 5.311 126.564 121.223 0.049 0.000 2.313 129 L HA 0.579 4.920 4.340 0.000 0.000 0.282 129 L C 0.245 177.126 176.870 0.018 0.000 1.092 129 L CA 0.547 55.409 54.840 0.037 0.000 0.831 129 L CB 0.840 42.930 42.059 0.052 0.000 1.159 129 L HN 0.902 nan 8.230 nan 0.000 0.442 130 T N 2.089 116.644 114.554 0.001 0.000 2.927 130 T HA 0.794 5.144 4.350 0.000 0.000 0.286 130 T C -0.644 174.035 174.700 -0.036 0.000 1.040 130 T CA -0.819 61.270 62.100 -0.020 0.000 1.010 130 T CB 1.747 70.604 68.868 -0.018 0.000 1.177 130 T HN 0.533 nan 8.240 nan 0.000 0.546 131 V N 0.566 120.444 119.914 -0.061 0.000 2.969 131 V HA 0.496 4.617 4.120 0.000 0.000 0.304 131 V C -1.681 174.364 176.094 -0.082 0.000 1.192 131 V CA -1.036 61.219 62.300 -0.075 0.000 0.962 131 V CB 2.252 34.010 31.823 -0.108 0.000 1.045 131 V HN 1.066 nan 8.190 nan 0.000 0.428 132 N N 5.850 124.512 118.700 -0.063 0.000 2.419 132 N HA 0.648 5.388 4.740 0.000 0.000 0.264 132 N C -0.931 174.538 175.510 -0.067 0.000 1.031 132 N CA -0.321 52.696 53.050 -0.055 0.000 0.951 132 N CB 1.145 39.611 38.487 -0.034 0.000 1.101 132 N HN 0.540 nan 8.380 nan 0.000 0.488 133 L N 0.894 122.075 121.223 -0.070 0.000 2.330 133 L HA 0.356 4.696 4.340 0.000 0.000 0.271 133 L C 0.971 177.824 176.870 -0.028 0.000 1.013 133 L CA -0.736 54.065 54.840 -0.066 0.000 0.816 133 L CB 1.605 43.607 42.059 -0.095 0.000 1.287 133 L HN 0.579 nan 8.230 nan 0.000 0.435 134 D N 0.469 120.858 120.400 -0.018 0.000 2.162 134 D HA -0.081 4.560 4.640 0.000 0.000 0.203 134 D C 0.235 176.539 176.300 0.007 0.000 0.967 134 D CA 1.250 55.248 54.000 -0.005 0.000 0.840 134 D CB 0.472 41.270 40.800 -0.003 0.000 0.972 134 D HN 0.382 nan 8.370 nan 0.000 0.482 135 N N 0.645 119.355 118.700 0.018 0.000 2.706 135 N HA 0.119 4.859 4.740 0.000 0.000 0.240 135 N C -2.269 173.287 175.510 0.075 0.000 1.039 135 N CA -1.678 51.395 53.050 0.038 0.000 0.888 135 N CB 1.558 40.068 38.487 0.038 0.000 1.128 135 N HN -0.101 nan 8.380 nan 0.000 0.512 136 P HA 0.096 nan 4.420 nan 0.000 0.256 136 P C -0.295 177.121 177.300 0.194 0.000 1.384 136 P CA -0.074 63.109 63.100 0.138 0.000 0.879 136 P CB -0.170 31.570 31.700 0.066 0.000 1.403 137 T N 0.656 115.280 114.554 0.118 0.000 2.902 137 T HA 0.317 4.668 4.350 0.000 0.000 0.301 137 T C 1.508 176.180 174.700 -0.047 0.000 1.012 137 T CA 1.571 63.693 62.100 0.037 0.000 1.151 137 T CB 0.053 68.927 68.868 0.010 0.000 0.946 137 T HN 0.377 nan 8.240 nan 0.000 0.542 138 G N 2.388 111.119 108.800 -0.116 0.000 2.217 138 G HA2 -0.228 3.732 3.960 0.000 0.000 0.246 138 G HA3 -0.228 3.732 3.960 0.000 0.000 0.246 138 G C -0.084 174.605 174.900 -0.353 0.000 0.990 138 G CA -0.237 44.696 45.100 -0.277 0.000 0.627 138 G HN 0.696 nan 8.290 nan 0.000 0.522 139 Y N 0.728 121.005 120.300 -0.039 0.000 2.457 139 Y HA 0.560 5.110 4.550 0.000 0.000 0.333 139 Y C 1.183 177.054 175.900 -0.049 0.000 1.119 139 Y CA -0.336 57.737 58.100 -0.045 0.000 1.143 139 Y CB 1.687 40.123 38.460 -0.040 0.000 1.230 139 Y HN 0.265 nan 8.280 nan 0.000 0.469 140 G N 3.169 112.039 108.800 0.117 0.000 2.361 140 G HA2 0.284 4.244 3.960 0.000 0.000 0.260 140 G HA3 0.284 4.244 3.960 0.000 0.000 0.260 140 G C -0.390 174.530 174.900 0.033 0.000 1.261 140 G CA -0.790 44.330 45.100 0.033 0.000 0.897 140 G HN 0.376 nan 8.290 nan 0.000 0.499 141 R N 2.049 122.557 120.500 0.013 0.000 2.410 141 R HA 0.216 4.556 4.340 0.000 0.000 0.288 141 R C 0.085 176.381 176.300 -0.006 0.000 1.051 141 R CA -0.904 55.200 56.100 0.006 0.000 1.021 141 R CB 1.216 31.517 30.300 0.003 0.000 1.032 141 R HN 0.292 nan 8.270 nan 0.000 0.481 142 I N 4.573 125.139 120.570 -0.008 0.000 2.396 142 I HA 0.143 4.313 4.170 0.000 0.000 0.289 142 I C 0.483 176.592 176.117 -0.013 0.000 1.056 142 I CA -0.530 60.762 61.300 -0.013 0.000 1.365 142 I CB 0.365 38.357 38.000 -0.013 0.000 1.407 142 I HN 0.282 nan 8.210 nan 0.000 0.509 143 I N 7.199 127.759 120.570 -0.017 0.000 2.312 143 I HA 0.315 4.486 4.170 0.000 0.000 0.290 143 I C 0.587 176.694 176.117 -0.017 0.000 1.008 143 I CA -0.465 60.825 61.300 -0.016 0.000 1.226 143 I CB 0.552 38.541 38.000 -0.019 0.000 1.371 143 I HN 0.367 nan 8.210 nan 0.000 0.468 144 R N 4.609 125.101 120.500 -0.014 0.000 2.229 144 R HA 0.361 4.701 4.340 0.000 0.000 0.332 144 R C -0.342 175.951 176.300 -0.012 0.000 0.989 144 R CA -0.521 55.571 56.100 -0.013 0.000 0.842 144 R CB 1.490 31.784 30.300 -0.010 0.000 1.119 144 R HN 0.512 nan 8.270 nan 0.000 0.456 145 E N 3.065 123.258 120.200 -0.013 0.000 2.055 145 E HA 0.137 4.488 4.350 0.000 0.000 0.274 145 E C -0.383 176.212 176.600 -0.009 0.000 0.949 145 E CA -0.052 56.341 56.400 -0.011 0.000 0.775 145 E CB 0.440 30.133 29.700 -0.012 0.000 1.097 145 E HN 0.598 nan 8.360 nan 0.000 0.404 146 N N 1.628 120.324 118.700 -0.007 0.000 1.404 146 N HA -0.289 4.452 4.740 0.000 0.000 0.158 146 N C 0.902 176.409 175.510 -0.005 0.000 0.802 146 N CA 1.245 54.292 53.050 -0.005 0.000 1.056 146 N CB -1.082 37.403 38.487 -0.004 0.000 1.314 146 N HN 0.498 nan 8.380 nan 0.000 0.482 147 G N -0.211 108.586 108.800 -0.004 0.000 3.088 147 G HA2 0.261 4.221 3.960 0.000 0.000 0.217 147 G HA3 0.261 4.221 3.960 0.000 0.000 0.217 147 G C -0.241 174.656 174.900 -0.005 0.000 1.159 147 G CA 0.199 45.297 45.100 -0.004 0.000 0.760 147 G HN 0.468 nan 8.290 nan 0.000 0.550 148 N N -0.773 117.922 118.700 -0.008 0.000 2.443 148 N HA 0.521 5.261 4.740 0.000 0.000 0.293 148 N C -1.079 174.421 175.510 -0.016 0.000 1.159 148 N CA -0.805 52.238 53.050 -0.011 0.000 0.904 148 N CB 2.689 41.169 38.487 -0.011 0.000 1.214 148 N HN -0.184 nan 8.380 nan 0.000 0.513 149 V N 1.843 121.744 119.914 -0.022 0.000 2.406 149 V HA 0.086 4.207 4.120 0.000 0.000 0.272 149 V C 1.120 177.191 176.094 -0.038 0.000 1.043 149 V CA -0.317 61.966 62.300 -0.028 0.000 0.915 149 V CB 0.960 32.765 31.823 -0.029 0.000 0.988 149 V HN 0.687 nan 8.190 nan 0.000 0.466 150 V N 1.489 121.382 119.914 -0.035 0.000 3.621 150 V HA 0.790 4.911 4.120 0.000 0.000 0.263 150 V C 0.585 176.651 176.094 -0.046 0.000 1.272 150 V CA 0.625 62.900 62.300 -0.041 0.000 1.080 150 V CB 0.058 31.863 31.823 -0.031 0.000 0.816 150 V HN 0.951 nan 8.190 nan 0.000 0.451 151 A N -0.008 122.788 122.820 -0.041 0.000 2.605 151 A HA 0.800 5.121 4.320 0.000 0.000 0.294 151 A C -1.378 176.185 177.584 -0.036 0.000 1.062 151 A CA -0.513 51.500 52.037 -0.041 0.000 0.682 151 A CB 1.281 20.260 19.000 -0.035 0.000 1.278 151 A HN 0.243 nan 8.150 nan 0.000 0.410 152 I N 1.982 122.529 120.570 -0.038 0.000 2.390 152 I HA 0.348 4.519 4.170 0.000 0.000 0.283 152 I C -0.720 175.374 176.117 -0.038 0.000 1.016 152 I CA -0.779 60.502 61.300 -0.033 0.000 1.151 152 I CB 1.649 39.631 38.000 -0.030 0.000 1.293 152 I HN 0.330 nan 8.210 nan 0.000 0.458 153 V N 6.222 126.117 119.914 -0.031 0.000 2.364 153 V HA 0.232 4.352 4.120 0.000 0.000 0.272 153 V C 0.523 176.595 176.094 -0.036 0.000 1.036 153 V CA -0.749 61.531 62.300 -0.034 0.000 0.880 153 V CB 0.879 32.687 31.823 -0.026 0.000 0.991 153 V HN 0.567 nan 8.190 nan 0.000 0.460 154 E N 2.819 122.987 120.200 -0.053 0.000 2.392 154 E HA 0.045 4.396 4.350 0.000 0.000 0.256 154 E C 0.937 177.509 176.600 -0.048 0.000 1.145 154 E CA -0.238 56.124 56.400 -0.063 0.000 0.929 154 E CB 0.818 30.459 29.700 -0.098 0.000 0.998 154 E HN 0.667 nan 8.360 nan 0.000 0.442 155 Q N 2.387 122.156 119.800 -0.051 0.000 2.082 155 Q HA -0.268 4.072 4.340 0.000 0.000 0.211 155 Q C 1.506 177.482 176.000 -0.040 0.000 1.002 155 Q CA 2.847 58.624 55.803 -0.044 0.000 0.868 155 Q CB -0.159 28.542 28.738 -0.062 0.000 0.931 155 Q HN 0.518 nan 8.270 nan 0.000 0.414 156 K N -0.855 119.517 120.400 -0.047 0.000 2.365 156 K HA -0.037 4.284 4.320 0.000 0.000 0.199 156 K C 0.958 177.538 176.600 -0.033 0.000 1.045 156 K CA 1.395 57.659 56.287 -0.039 0.000 0.962 156 K CB 0.165 32.641 32.500 -0.041 0.000 0.759 156 K HN 0.184 nan 8.250 nan 0.000 0.469 157 D N 0.988 121.367 120.400 -0.035 0.000 2.355 157 D HA 0.114 4.754 4.640 0.000 0.000 0.206 157 D C 0.332 176.618 176.300 -0.025 0.000 1.010 157 D CA 0.252 54.234 54.000 -0.030 0.000 0.875 157 D CB 0.208 40.987 40.800 -0.035 0.000 0.966 157 D HN 0.306 nan 8.370 nan 0.000 0.512 158 A N 1.683 124.489 122.820 -0.024 0.000 2.445 158 A HA 0.228 4.548 4.320 0.000 0.000 0.242 158 A C 0.819 178.394 177.584 -0.015 0.000 1.075 158 A CA -0.446 51.580 52.037 -0.018 0.000 0.777 158 A CB 0.083 19.073 19.000 -0.015 0.000 1.013 158 A HN 0.278 nan 8.150 nan 0.000 0.493 159 N N 1.070 119.762 118.700 -0.013 0.000 2.366 159 N HA 0.394 5.135 4.740 0.000 0.000 0.277 159 N C 1.130 176.635 175.510 -0.009 0.000 1.275 159 N CA -0.136 52.908 53.050 -0.011 0.000 0.964 159 N CB 0.817 39.298 38.487 -0.010 0.000 1.167 159 N HN 0.489 nan 8.380 nan 0.000 0.568 160 A N 0.141 122.956 122.820 -0.008 0.000 1.883 160 A HA -0.271 4.049 4.320 0.000 0.000 0.217 160 A C 2.065 179.646 177.584 -0.005 0.000 1.186 160 A CA 1.982 54.015 52.037 -0.006 0.000 0.624 160 A CB -1.112 17.884 19.000 -0.006 0.000 0.822 160 A HN 0.929 nan 8.150 nan 0.000 0.444 161 E N -0.625 119.572 120.200 -0.005 0.000 2.216 161 E HA -0.177 4.173 4.350 0.000 0.000 0.192 161 E C 1.851 178.448 176.600 -0.005 0.000 0.988 161 E CA 1.013 57.411 56.400 -0.005 0.000 0.834 161 E CB -0.337 29.360 29.700 -0.005 0.000 0.772 161 E HN 0.740 nan 8.360 nan 0.000 0.479 162 Q N -0.026 119.771 119.800 -0.006 0.000 2.230 162 Q HA -0.043 4.297 4.340 0.000 0.000 0.202 162 Q C 1.854 177.852 176.000 -0.003 0.000 0.963 162 Q CA 0.500 56.300 55.803 -0.006 0.000 0.866 162 Q CB 0.111 28.843 28.738 -0.009 0.000 0.931 162 Q HN 0.240 nan 8.270 nan 0.000 0.452 163 L N 1.141 122.362 121.223 -0.003 0.000 2.191 163 L HA -0.144 4.196 4.340 0.000 0.000 0.212 163 L C 1.438 178.310 176.870 0.003 0.000 1.103 163 L CA 1.482 56.322 54.840 0.000 0.000 0.769 163 L CB -0.559 41.498 42.059 -0.002 0.000 0.908 163 L HN 0.232 nan 8.230 nan 0.000 0.438 164 N N -0.654 118.047 118.700 0.001 0.000 2.463 164 N HA 0.039 4.779 4.740 0.000 0.000 0.181 164 N C 0.667 176.178 175.510 0.001 0.000 1.078 164 N CA 0.162 53.212 53.050 0.001 0.000 0.902 164 N CB 0.138 38.625 38.487 -0.001 0.000 0.970 164 N HN 0.272 nan 8.380 nan 0.000 0.451 165 I N 1.675 122.245 120.570 0.000 0.000 2.683 165 I HA -0.084 4.086 4.170 0.000 0.000 0.286 165 I C 1.264 177.382 176.117 0.001 0.000 1.175 165 I CA 0.185 61.484 61.300 -0.001 0.000 1.429 165 I CB 0.677 38.675 38.000 -0.003 0.000 1.371 165 I HN -0.181 nan 8.210 nan 0.000 0.569 166 K N 4.524 124.921 120.400 -0.005 0.000 2.334 166 K HA 0.095 4.416 4.320 0.000 0.000 0.195 166 K C 0.534 177.122 176.600 -0.020 0.000 1.045 166 K CA 0.333 56.614 56.287 -0.009 0.000 1.004 166 K CB -0.001 32.492 32.500 -0.012 0.000 0.837 166 K HN 0.562 nan 8.250 nan 0.000 0.510 167 E N 1.407 121.596 120.200 -0.019 0.000 2.360 167 E HA 0.190 4.540 4.350 0.000 0.000 0.269 167 E C -1.012 175.573 176.600 -0.026 0.000 1.022 167 E CA -0.143 56.242 56.400 -0.026 0.000 0.887 167 E CB 0.798 30.486 29.700 -0.020 0.000 0.990 167 E HN -0.273 nan 8.360 nan 0.000 0.426 168 V N 3.754 123.641 119.914 -0.044 0.000 3.114 168 V HA 0.165 4.285 4.120 0.000 0.000 0.308 168 V C -0.602 175.463 176.094 -0.049 0.000 1.168 168 V CA -1.052 61.221 62.300 -0.045 0.000 1.015 168 V CB 2.351 34.113 31.823 -0.101 0.000 1.050 168 V HN 0.779 nan 8.190 nan 0.000 0.433 169 N N 0.969 119.657 118.700 -0.020 0.000 2.488 169 N HA 0.231 4.971 4.740 0.000 0.000 0.274 169 N C 0.866 176.360 175.510 -0.026 0.000 1.111 169 N CA 0.569 53.614 53.050 -0.008 0.000 0.974 169 N CB 1.717 40.213 38.487 0.015 0.000 1.089 169 N HN 0.819 nan 8.380 nan 0.000 0.465 170 T N 0.302 114.842 114.554 -0.023 0.000 3.037 170 T HA 0.252 4.602 4.350 0.000 0.000 0.251 170 T C 1.335 176.015 174.700 -0.034 0.000 1.079 170 T CA 0.472 62.544 62.100 -0.047 0.000 1.067 170 T CB -0.283 68.567 68.868 -0.030 0.000 0.948 170 T HN 0.729 nan 8.240 nan 0.000 0.496 171 G N 0.964 109.796 108.800 0.053 0.000 2.199 171 G HA2 -0.239 3.721 3.960 0.000 0.000 0.254 171 G HA3 -0.239 3.721 3.960 0.000 0.000 0.254 171 G C 0.242 175.358 174.900 0.360 0.000 0.982 171 G CA 0.245 45.439 45.100 0.156 0.000 0.632 171 G HN 1.472 nan 8.290 nan 0.000 0.529 172 V N 1.080 121.173 119.914 0.298 0.000 2.509 172 V HA 0.909 5.029 4.120 0.000 0.000 0.284 172 V C 0.124 176.333 176.094 0.191 0.000 1.047 172 V CA 0.363 62.845 62.300 0.303 0.000 0.952 172 V CB 1.213 33.194 31.823 0.262 0.000 0.988 172 V HN 1.121 nan 8.190 nan 0.000 0.469 173 M N 5.194 124.908 119.600 0.189 0.000 2.682 173 M HA 0.828 5.308 4.480 0.000 0.000 0.272 173 M C -2.065 174.352 176.300 0.194 0.000 1.232 173 M CA -0.831 54.571 55.300 0.171 0.000 0.849 173 M CB 2.208 34.919 32.600 0.186 0.000 1.695 173 M HN 0.354 nan 8.290 nan 0.000 0.481 174 V N 0.750 120.756 119.914 0.152 0.000 2.638 174 V HA 0.852 4.973 4.120 0.000 0.000 0.306 174 V C -0.796 175.351 176.094 0.090 0.000 1.052 174 V CA -0.254 62.138 62.300 0.154 0.000 0.885 174 V CB 1.785 33.661 31.823 0.089 0.000 0.999 174 V HN 0.951 nan 8.190 nan 0.000 0.424 175 S N 1.990 117.752 115.700 0.102 0.000 2.625 175 S HA 0.446 4.917 4.470 0.000 0.000 0.271 175 S C -1.638 172.975 174.600 0.021 0.000 1.161 175 S CA -0.762 57.392 58.200 -0.077 0.000 0.820 175 S CB 1.755 64.693 63.200 -0.437 0.000 1.137 175 S HN 1.003 nan 8.310 nan 0.000 0.470 176 D N 0.599 120.980 120.400 -0.032 0.000 2.344 176 D HA 0.203 4.844 4.640 0.000 0.000 0.244 176 D C 1.311 177.651 176.300 0.066 0.000 1.134 176 D CA 0.012 54.016 54.000 0.006 0.000 0.930 176 D CB 0.876 41.658 40.800 -0.030 0.000 1.175 176 D HN 0.601 nan 8.370 nan 0.000 0.437 177 G N 0.551 109.402 108.800 0.085 0.000 2.422 177 G HA2 -0.198 3.762 3.960 0.000 0.000 0.218 177 G HA3 -0.198 3.762 3.960 0.000 0.000 0.218 177 G C 1.542 176.559 174.900 0.195 0.000 1.146 177 G CA 1.179 46.390 45.100 0.185 0.000 0.769 177 G HN 0.657 nan 8.290 nan 0.000 0.547 178 A N 0.835 123.682 122.820 0.044 0.000 1.902 178 A HA 0.028 4.348 4.320 0.000 0.000 0.217 178 A C 2.710 180.195 177.584 -0.165 0.000 1.181 178 A CA 2.206 54.220 52.037 -0.038 0.000 0.623 178 A CB -0.642 18.313 19.000 -0.076 0.000 0.818 178 A HN 0.305 nan 8.150 nan 0.000 0.443 179 S N -0.746 114.769 115.700 -0.309 0.000 2.370 179 S HA -0.137 4.334 4.470 0.000 0.000 0.226 179 S C 1.636 175.928 174.600 -0.513 0.000 1.033 179 S CA 1.527 59.266 58.200 -0.768 0.000 1.011 179 S CB -0.526 62.125 63.200 -0.915 0.000 0.852 179 S HN 0.503 nan 8.310 nan 0.000 0.457 180 F N 1.922 121.822 119.950 -0.084 0.000 2.102 180 F HA -0.058 4.470 4.527 0.000 0.000 0.298 180 F C 2.242 178.122 175.800 0.133 0.000 1.105 180 F CA 1.100 59.191 58.000 0.152 0.000 1.239 180 F CB -0.413 38.748 39.000 0.268 0.000 0.991 180 F HN 0.103 nan 8.300 nan 0.000 0.474 181 K N -0.018 120.544 120.400 0.270 0.000 2.063 181 K HA -0.237 4.083 4.320 0.000 0.000 0.208 181 K C 2.144 178.771 176.600 0.045 0.000 1.048 181 K CA 1.688 58.041 56.287 0.109 0.000 0.928 181 K CB -0.235 32.287 32.500 0.037 0.000 0.713 181 K HN 0.181 nan 8.250 nan 0.000 0.442 182 K N -0.007 120.361 120.400 -0.055 0.000 2.031 182 K HA -0.142 4.179 4.320 0.000 0.000 0.205 182 K C 1.753 178.387 176.600 0.056 0.000 1.049 182 K CA 1.144 57.373 56.287 -0.096 0.000 0.939 182 K CB 0.024 32.340 32.500 -0.306 0.000 0.717 182 K HN 0.162 nan 8.250 nan 0.000 0.438 183 W N 1.308 122.653 121.300 0.075 0.000 2.453 183 W HA 0.040 4.700 4.660 0.000 0.000 0.289 183 W C 1.884 178.469 176.519 0.111 0.000 1.215 183 W CA 0.305 57.694 57.345 0.073 0.000 1.297 183 W CB -0.721 28.762 29.460 0.038 0.000 1.113 183 W HN 0.082 nan 8.180 nan 0.000 0.551 184 L N 0.489 121.931 121.223 0.365 0.000 2.083 184 L HA -0.177 4.163 4.340 0.000 0.000 0.209 184 L C 2.555 179.532 176.870 0.177 0.000 1.083 184 L CA 1.553 56.557 54.840 0.273 0.000 0.752 184 L CB -1.159 41.045 42.059 0.242 0.000 0.899 184 L HN -0.147 nan 8.230 nan 0.000 0.433 185 A N -0.409 122.494 122.820 0.138 0.000 2.172 185 A HA -0.122 4.198 4.320 0.000 0.000 0.216 185 A C 2.217 179.872 177.584 0.119 0.000 1.154 185 A CA 1.085 53.176 52.037 0.090 0.000 0.701 185 A CB -0.360 18.674 19.000 0.056 0.000 0.789 185 A HN 0.359 nan 8.150 nan 0.000 0.465 186 R N -0.837 119.764 120.500 0.168 0.000 2.362 186 R HA 0.148 4.489 4.340 0.000 0.000 0.227 186 R C 0.376 176.781 176.300 0.174 0.000 0.905 186 R CA 0.230 56.428 56.100 0.164 0.000 1.067 186 R CB 0.194 30.607 30.300 0.188 0.000 1.078 186 R HN 0.372 nan 8.270 nan 0.000 0.516 187 V N 0.370 120.410 119.914 0.210 0.000 2.583 187 V HA 0.589 4.709 4.120 0.000 0.000 0.287 187 V C 0.171 176.460 176.094 0.326 0.000 1.051 187 V CA -0.207 62.237 62.300 0.241 0.000 1.010 187 V CB 1.198 33.182 31.823 0.269 0.000 0.988 187 V HN 0.223 nan 8.190 nan 0.000 0.478 188 G N 4.027 112.959 108.800 0.220 0.000 2.705 188 G HA2 0.436 4.397 3.960 0.000 0.000 0.299 188 G HA3 0.436 4.397 3.960 0.000 0.000 0.299 188 G C 0.020 174.823 174.900 -0.162 0.000 1.315 188 G CA -0.176 44.999 45.100 0.125 0.000 1.045 188 G HN 1.091 nan 8.290 nan 0.000 0.517 189 N N -0.793 117.665 118.700 -0.404 0.000 2.365 189 N HA 0.016 4.756 4.740 0.000 0.000 0.257 189 N C -0.315 175.063 175.510 -0.221 0.000 1.287 189 N CA -0.614 52.119 53.050 -0.529 0.000 0.882 189 N CB 0.277 38.117 38.487 -1.079 0.000 1.250 189 N HN 0.255 nan 8.380 nan 0.000 0.507 190 N N 1.770 120.406 118.700 -0.107 0.000 2.739 190 N HA 0.065 4.805 4.740 0.000 0.000 0.266 190 N C -1.090 174.409 175.510 -0.018 0.000 1.168 190 N CA -0.027 52.992 53.050 -0.051 0.000 1.055 190 N CB -0.551 37.920 38.487 -0.026 0.000 1.393 190 N HN 0.578 nan 8.380 nan 0.000 0.514 191 N N -0.642 118.052 118.700 -0.010 0.000 3.020 191 N HA 0.390 5.130 4.740 0.000 0.000 0.248 191 N C 0.348 175.872 175.510 0.024 0.000 1.480 191 N CA -0.560 52.504 53.050 0.024 0.000 0.874 191 N CB 0.138 38.677 38.487 0.087 0.000 1.433 191 N HN -0.074 nan 8.380 nan 0.000 0.530 192 A N -0.678 122.159 122.820 0.029 0.000 1.978 192 A HA -0.180 4.140 4.320 0.000 0.000 0.220 192 A C 1.538 179.139 177.584 0.029 0.000 1.170 192 A CA 1.702 53.751 52.037 0.020 0.000 0.636 192 A CB -0.766 18.241 19.000 0.012 0.000 0.810 192 A HN 0.673 nan 8.150 nan 0.000 0.448 193 Q N -1.717 118.123 119.800 0.068 0.000 2.408 193 Q HA 0.324 4.664 4.340 0.000 0.000 0.205 193 Q C 1.149 177.145 176.000 -0.008 0.000 0.919 193 Q CA 0.701 56.538 55.803 0.056 0.000 0.932 193 Q CB 0.126 28.948 28.738 0.141 0.000 1.058 193 Q HN 0.877 nan 8.270 nan 0.000 0.517 194 G N 0.699 109.481 108.800 -0.030 0.000 2.221 194 G HA2 -0.306 3.655 3.960 0.000 0.000 0.265 194 G HA3 -0.306 3.655 3.960 0.000 0.000 0.265 194 G C -0.340 174.440 174.900 -0.201 0.000 1.041 194 G CA 0.354 45.391 45.100 -0.105 0.000 0.807 194 G HN 0.312 nan 8.290 nan 0.000 0.502 195 E N -1.365 118.691 120.200 -0.241 0.000 2.244 195 E HA 0.533 4.883 4.350 0.000 0.000 0.266 195 E C -0.814 175.514 176.600 -0.454 0.000 0.914 195 E CA -1.087 55.089 56.400 -0.373 0.000 0.794 195 E CB 1.110 30.495 29.700 -0.525 0.000 1.210 195 E HN 0.227 nan 8.360 nan 0.000 0.414 196 Y N 1.297 121.475 120.300 -0.203 0.000 2.535 196 Y HA 0.175 4.725 4.550 0.000 0.000 0.349 196 Y C -0.605 175.245 175.900 -0.083 0.000 0.992 196 Y CA -0.327 57.734 58.100 -0.065 0.000 1.248 196 Y CB 0.004 38.476 38.460 0.021 0.000 1.124 196 Y HN 0.363 nan 8.280 nan 0.000 0.520 197 Y N 2.790 123.195 120.300 0.176 0.000 2.313 197 Y HA 0.098 4.648 4.550 0.000 0.000 0.332 197 Y C 1.064 177.067 175.900 0.171 0.000 1.071 197 Y CA -0.642 57.548 58.100 0.151 0.000 1.169 197 Y CB 1.139 39.653 38.460 0.089 0.000 1.192 197 Y HN 0.590 nan 8.280 nan 0.000 0.487 198 L N 2.068 123.498 121.223 0.344 0.000 2.191 198 L HA -0.172 4.169 4.340 0.000 0.000 0.212 198 L C 1.954 178.972 176.870 0.247 0.000 1.103 198 L CA 1.900 56.919 54.840 0.300 0.000 0.769 198 L CB -0.733 41.513 42.059 0.312 0.000 0.908 198 L HN 0.806 nan 8.230 nan 0.000 0.438 199 T N -0.484 114.212 114.554 0.236 0.000 2.685 199 T HA -0.232 4.118 4.350 0.000 0.000 0.268 199 T C 1.340 176.083 174.700 0.073 0.000 1.034 199 T CA 1.732 63.908 62.100 0.126 0.000 1.149 199 T CB -0.437 68.464 68.868 0.056 0.000 0.860 199 T HN 0.399 nan 8.240 nan 0.000 0.449 200 D N 0.582 121.046 120.400 0.106 0.000 2.351 200 D HA 0.007 4.648 4.640 0.000 0.000 0.216 200 D C 1.767 178.057 176.300 -0.017 0.000 0.968 200 D CA 0.218 54.248 54.000 0.050 0.000 0.899 200 D CB -0.357 40.505 40.800 0.103 0.000 0.907 200 D HN 0.217 nan 8.370 nan 0.000 0.514 201 L N 0.158 121.381 121.223 -0.001 0.000 2.191 201 L HA -0.150 4.190 4.340 0.000 0.000 0.212 201 L C 1.904 178.571 176.870 -0.339 0.000 1.103 201 L CA 0.848 55.607 54.840 -0.135 0.000 0.769 201 L CB -0.219 41.842 42.059 0.003 0.000 0.908 201 L HN 0.009 nan 8.230 nan 0.000 0.438 202 I N -0.914 119.536 120.570 -0.199 0.000 2.286 202 I HA -0.200 3.970 4.170 0.000 0.000 0.245 202 I C 2.540 178.516 176.117 -0.234 0.000 1.104 202 I CA 1.407 62.579 61.300 -0.213 0.000 1.397 202 I CB -0.973 36.962 38.000 -0.108 0.000 1.072 202 I HN 0.174 nan 8.210 nan 0.000 0.417 203 A N 0.179 122.895 122.820 -0.174 0.000 1.902 203 A HA -0.155 4.165 4.320 0.000 0.000 0.217 203 A C 2.328 179.784 177.584 -0.213 0.000 1.181 203 A CA 1.522 53.470 52.037 -0.148 0.000 0.623 203 A CB -0.985 17.961 19.000 -0.089 0.000 0.818 203 A HN 0.393 nan 8.150 nan 0.000 0.443 204 L N -0.852 120.189 121.223 -0.303 0.000 2.083 204 L HA -0.180 4.160 4.340 0.000 0.000 0.209 204 L C 3.073 179.551 176.870 -0.654 0.000 1.083 204 L CA 0.967 55.569 54.840 -0.397 0.000 0.752 204 L CB -0.500 41.310 42.059 -0.415 0.000 0.899 204 L HN 0.446 nan 8.230 nan 0.000 0.433 205 A N 0.031 122.264 122.820 -0.979 0.000 1.898 205 A HA -0.194 4.127 4.320 0.000 0.000 0.216 205 A C 2.087 179.494 177.584 -0.294 0.000 1.181 205 A CA 1.669 53.158 52.037 -0.914 0.000 0.620 205 A CB -0.520 17.908 19.000 -0.954 0.000 0.819 205 A HN 0.425 nan 8.150 nan 0.000 0.442 206 N N -0.242 118.315 118.700 -0.238 0.000 2.244 206 N HA -0.152 4.589 4.740 0.000 0.000 0.183 206 N C 1.878 177.349 175.510 -0.065 0.000 1.016 206 N CA 1.388 54.370 53.050 -0.114 0.000 0.866 206 N CB -0.315 38.111 38.487 -0.101 0.000 0.980 206 N HN 0.655 nan 8.380 nan 0.000 0.430 207 Q N 0.360 120.115 119.800 -0.076 0.000 2.124 207 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 207 Q C 0.538 176.556 176.000 0.029 0.000 0.977 207 Q CA 1.105 56.895 55.803 -0.021 0.000 0.850 207 Q CB 0.010 28.737 28.738 -0.018 0.000 0.901 207 Q HN 0.242 nan 8.270 nan 0.000 0.429 208 D N -0.276 120.162 120.400 0.063 0.000 2.349 208 D HA 0.026 4.666 4.640 0.000 0.000 0.224 208 D C -0.492 175.874 176.300 0.109 0.000 1.029 208 D CA 0.096 54.184 54.000 0.148 0.000 0.879 208 D CB -0.132 40.878 40.800 0.349 0.000 0.906 208 D HN 0.176 nan 8.370 nan 0.000 0.528 209 N N -1.018 117.717 118.700 0.058 0.000 2.754 209 N HA -0.179 4.561 4.740 0.000 0.000 0.248 209 N C -1.122 174.426 175.510 0.062 0.000 1.093 209 N CA 0.312 53.389 53.050 0.044 0.000 0.699 209 N CB -1.238 37.273 38.487 0.040 0.000 1.016 209 N HN 0.195 nan 8.380 nan 0.000 0.552 210 C N 0.187 119.533 119.300 0.078 0.000 2.391 210 C HA 0.431 4.892 4.460 0.000 0.000 0.339 210 C C 0.817 175.830 174.990 0.039 0.000 1.205 210 C CA -0.772 58.310 59.018 0.106 0.000 1.937 210 C CB 1.635 29.537 27.740 0.270 0.000 2.341 210 C HN 0.361 nan 8.230 nan 0.000 0.516 211 Q N 0.966 120.792 119.800 0.043 0.000 2.288 211 Q HA 0.532 4.872 4.340 0.000 0.000 0.254 211 Q C -0.749 175.251 176.000 0.000 0.000 0.932 211 Q CA -0.050 55.761 55.803 0.013 0.000 0.902 211 Q CB 1.431 30.180 28.738 0.019 0.000 1.203 211 Q HN 0.719 nan 8.270 nan 0.000 0.415 212 V N 4.145 124.044 119.914 -0.024 0.000 2.444 212 V HA 0.543 4.663 4.120 0.000 0.000 0.294 212 V C -1.154 174.931 176.094 -0.015 0.000 1.022 212 V CA -0.503 61.780 62.300 -0.028 0.000 0.850 212 V CB 1.680 33.465 31.823 -0.064 0.000 0.992 212 V HN 0.538 nan 8.190 nan 0.000 0.426 213 V N 6.657 126.569 119.914 -0.004 0.000 2.435 213 V HA 0.809 4.929 4.120 0.000 0.000 0.290 213 V C 0.748 176.843 176.094 0.002 0.000 1.030 213 V CA 0.062 62.362 62.300 0.000 0.000 0.881 213 V CB 1.608 33.434 31.823 0.006 0.000 0.983 213 V HN 1.223 nan 8.190 nan 0.000 0.445 214 A N 4.742 127.563 122.820 0.000 0.000 2.309 214 A HA 0.762 5.082 4.320 0.000 0.000 0.298 214 A C -0.605 176.983 177.584 0.005 0.000 1.165 214 A CA -0.389 51.649 52.037 0.002 0.000 0.821 214 A CB 0.955 19.953 19.000 -0.003 0.000 1.102 214 A HN 0.697 nan 8.150 nan 0.000 0.500 215 V N 3.600 123.520 119.914 0.009 0.000 2.407 215 V HA 0.239 4.360 4.120 0.000 0.000 0.291 215 V C -0.132 175.966 176.094 0.007 0.000 1.018 215 V CA -0.477 61.829 62.300 0.010 0.000 0.842 215 V CB 1.216 33.049 31.823 0.017 0.000 0.996 215 V HN 1.037 nan 8.190 nan 0.000 0.426 216 Q N 2.633 122.434 119.800 0.003 0.000 2.327 216 Q HA 0.619 4.959 4.340 0.000 0.000 0.254 216 Q C 0.317 176.318 176.000 0.001 0.000 0.952 216 Q CA -0.130 55.672 55.803 -0.003 0.000 0.884 216 Q CB 1.388 30.122 28.738 -0.006 0.000 1.224 216 Q HN 0.931 nan 8.270 nan 0.000 0.422 217 A N 1.610 124.427 122.820 -0.005 0.000 2.363 217 A HA 0.211 4.532 4.320 0.000 0.000 0.270 217 A C 1.075 178.659 177.584 -0.000 0.000 1.121 217 A CA -0.243 51.794 52.037 0.000 0.000 0.800 217 A CB 0.386 19.381 19.000 -0.009 0.000 1.052 217 A HN 0.924 nan 8.150 nan 0.000 0.493 218 T N -0.214 114.347 114.554 0.012 0.000 2.770 218 T HA -0.033 4.317 4.350 0.000 0.000 0.263 218 T C 0.469 175.179 174.700 0.016 0.000 1.039 218 T CA 1.375 63.484 62.100 0.016 0.000 1.142 218 T CB -0.193 68.691 68.868 0.027 0.000 0.868 218 T HN 0.584 nan 8.240 nan 0.000 0.435 219 D N 0.633 121.046 120.400 0.023 0.000 2.256 219 D HA 0.362 5.002 4.640 0.000 0.000 0.240 219 D C 1.189 177.462 176.300 -0.045 0.000 1.062 219 D CA -0.484 53.525 54.000 0.015 0.000 0.832 219 D CB 2.163 43.012 40.800 0.081 0.000 1.135 219 D HN -0.064 nan 8.370 nan 0.000 0.484 220 V N 4.037 123.907 119.914 -0.073 0.000 2.392 220 V HA -0.246 3.874 4.120 0.000 0.000 0.249 220 V C 2.373 178.367 176.094 -0.168 0.000 1.059 220 V CA 1.259 63.493 62.300 -0.110 0.000 1.051 220 V CB -0.353 31.407 31.823 -0.105 0.000 0.658 220 V HN 0.674 nan 8.190 nan 0.000 0.455 221 M N -0.869 118.566 119.600 -0.276 0.000 2.374 221 M HA -0.136 4.344 4.480 0.000 0.000 0.264 221 M C 2.087 178.190 176.300 -0.328 0.000 1.067 221 M CA 1.207 56.232 55.300 -0.459 0.000 1.103 221 M CB -1.165 30.752 32.600 -1.138 0.000 1.402 221 M HN 0.466 nan 8.290 nan 0.000 0.444 222 E N 0.242 120.332 120.200 -0.183 0.000 2.097 222 E HA -0.166 4.184 4.350 0.000 0.000 0.196 222 E C 1.594 178.175 176.600 -0.031 0.000 1.000 222 E CA 1.784 58.159 56.400 -0.040 0.000 0.804 222 E CB 0.155 29.863 29.700 0.014 0.000 0.740 222 E HN 0.474 nan 8.360 nan 0.000 0.454 223 V N -1.291 118.588 119.914 -0.058 0.000 3.542 223 V HA 0.179 4.299 4.120 0.000 0.000 0.296 223 V C 0.263 176.317 176.094 -0.068 0.000 1.364 223 V CA -0.182 62.092 62.300 -0.043 0.000 1.118 223 V CB 0.178 31.970 31.823 -0.052 0.000 0.972 223 V HN -0.038 nan 8.190 nan 0.000 0.430 224 E N 1.750 121.897 120.200 -0.089 0.000 2.344 224 E HA 0.532 4.882 4.350 0.000 0.000 0.270 224 E C 0.676 177.248 176.600 -0.048 0.000 1.021 224 E CA 0.686 57.035 56.400 -0.084 0.000 0.887 224 E CB 0.938 30.570 29.700 -0.114 0.000 0.997 224 E HN 0.612 nan 8.360 nan 0.000 0.429 225 G N 2.083 110.863 108.800 -0.034 0.000 2.511 225 G HA2 0.642 4.602 3.960 0.000 0.000 0.316 225 G HA3 0.642 4.602 3.960 0.000 0.000 0.316 225 G C -1.164 173.732 174.900 -0.007 0.000 1.210 225 G CA -0.300 44.794 45.100 -0.011 0.000 0.969 225 G HN 0.620 nan 8.290 nan 0.000 0.492 226 A N 0.234 123.056 122.820 0.003 0.000 2.332 226 A HA 0.571 4.892 4.320 0.000 0.000 0.300 226 A C 0.246 177.828 177.584 -0.004 0.000 1.153 226 A CA -0.788 51.247 52.037 -0.004 0.000 0.764 226 A CB 1.072 20.068 19.000 -0.006 0.000 1.174 226 A HN 0.459 nan 8.150 nan 0.000 0.467 227 N N 1.080 119.771 118.700 -0.014 0.000 2.282 227 N HA 0.051 4.792 4.740 0.000 0.000 0.185 227 N C -0.134 175.342 175.510 -0.057 0.000 1.099 227 N CA 0.662 53.695 53.050 -0.027 0.000 0.878 227 N CB 0.338 38.812 38.487 -0.022 0.000 0.993 227 N HN 0.909 nan 8.380 nan 0.000 0.481 228 N N -1.536 117.131 118.700 -0.055 0.000 3.039 228 N HA 0.274 5.014 4.740 0.000 0.000 0.257 228 N C 0.110 175.576 175.510 -0.073 0.000 1.497 228 N CA -0.672 52.335 53.050 -0.072 0.000 0.861 228 N CB 1.132 39.599 38.487 -0.033 0.000 1.479 228 N HN -0.337 nan 8.380 nan 0.000 0.547 229 R N -0.907 119.548 120.500 -0.075 0.000 2.189 229 R HA 0.098 4.438 4.340 0.000 0.000 0.218 229 R C 1.409 177.694 176.300 -0.025 0.000 1.074 229 R CA 0.520 56.577 56.100 -0.072 0.000 0.991 229 R CB -0.480 29.777 30.300 -0.072 0.000 0.883 229 R HN 0.501 nan 8.270 nan 0.000 0.457 230 L N 1.311 122.529 121.223 -0.008 0.000 2.027 230 L HA -0.181 4.160 4.340 0.000 0.000 0.206 230 L C 1.965 178.837 176.870 0.004 0.000 1.074 230 L CA 1.814 56.657 54.840 0.005 0.000 0.745 230 L CB -0.252 41.814 42.059 0.012 0.000 0.898 230 L HN 0.097 nan 8.230 nan 0.000 0.433 231 Q N -0.787 119.011 119.800 -0.003 0.000 2.119 231 Q HA -0.195 4.145 4.340 0.000 0.000 0.201 231 Q C 2.336 178.334 176.000 -0.003 0.000 0.972 231 Q CA 1.778 57.579 55.803 -0.002 0.000 0.847 231 Q CB -0.269 28.465 28.738 -0.007 0.000 0.903 231 Q HN 0.583 nan 8.270 nan 0.000 0.433 232 L N 0.202 121.418 121.223 -0.012 0.000 2.093 232 L HA -0.138 4.202 4.340 0.000 0.000 0.208 232 L C 2.223 179.099 176.870 0.010 0.000 1.085 232 L CA 1.231 56.066 54.840 -0.009 0.000 0.755 232 L CB -0.274 41.768 42.059 -0.028 0.000 0.904 232 L HN 0.164 nan 8.230 nan 0.000 0.435 233 A N -0.378 122.450 122.820 0.014 0.000 1.972 233 A HA -0.127 4.193 4.320 0.000 0.000 0.219 233 A C 2.405 180.019 177.584 0.051 0.000 1.169 233 A CA 1.510 53.566 52.037 0.032 0.000 0.635 233 A CB -0.831 18.185 19.000 0.028 0.000 0.810 233 A HN 0.563 nan 8.150 nan 0.000 0.446 234 A N -0.599 122.247 122.820 0.044 0.000 1.898 234 A HA 0.042 4.363 4.320 0.000 0.000 0.216 234 A C 1.965 179.605 177.584 0.093 0.000 1.181 234 A CA 1.556 53.629 52.037 0.061 0.000 0.620 234 A CB -0.490 18.531 19.000 0.036 0.000 0.819 234 A HN 0.378 nan 8.150 nan 0.000 0.442 235 L N -0.104 121.158 121.223 0.065 0.000 2.046 235 L HA -0.166 4.174 4.340 0.000 0.000 0.208 235 L C 2.419 179.388 176.870 0.166 0.000 1.077 235 L CA 2.319 57.215 54.840 0.093 0.000 0.747 235 L CB -0.968 41.102 42.059 0.017 0.000 0.896 235 L HN 0.585 nan 8.230 nan 0.000 0.432 236 E N -0.532 119.733 120.200 0.107 0.000 2.058 236 E HA -0.220 4.130 4.350 0.000 0.000 0.194 236 E C 2.352 179.064 176.600 0.188 0.000 0.997 236 E CA 1.325 57.801 56.400 0.126 0.000 0.801 236 E CB -0.000 29.747 29.700 0.079 0.000 0.746 236 E HN 0.117 nan 8.360 nan 0.000 0.450 237 R N -0.586 120.008 120.500 0.158 0.000 2.075 237 R HA -0.124 4.216 4.340 0.000 0.000 0.232 237 R C 2.391 178.792 176.300 0.169 0.000 1.126 237 R CA 1.495 57.681 56.100 0.143 0.000 0.963 237 R CB -1.182 29.187 30.300 0.114 0.000 0.858 237 R HN 0.425 nan 8.270 nan 0.000 0.435 238 Y N 0.289 120.644 120.300 0.092 0.000 2.181 238 Y HA -0.249 4.301 4.550 0.000 0.000 0.288 238 Y C 2.127 178.096 175.900 0.115 0.000 1.146 238 Y CA 1.531 59.682 58.100 0.085 0.000 1.164 238 Y CB -0.515 37.989 38.460 0.073 0.000 0.982 238 Y HN -0.004 nan 8.280 nan 0.000 0.515 239 F N 0.987 120.972 119.950 0.058 0.000 2.102 239 F HA -0.238 4.289 4.527 0.000 0.000 0.298 239 F C 2.333 178.102 175.800 -0.051 0.000 1.105 239 F CA 1.954 59.937 58.000 -0.028 0.000 1.239 239 F CB -0.469 38.557 39.000 0.044 0.000 0.991 239 F HN 0.082 nan 8.300 nan 0.000 0.474 240 Q N 0.306 120.180 119.800 0.123 0.000 2.084 240 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 240 Q C 1.982 177.974 176.000 -0.013 0.000 0.978 240 Q CA 1.950 57.792 55.803 0.065 0.000 0.844 240 Q CB -1.010 27.806 28.738 0.130 0.000 0.898 240 Q HN 0.526 nan 8.270 nan 0.000 0.426 241 N N 0.670 119.343 118.700 -0.046 0.000 2.166 241 N HA -0.160 4.580 4.740 0.000 0.000 0.186 241 N C 1.677 177.078 175.510 -0.181 0.000 1.019 241 N CA 1.262 54.264 53.050 -0.081 0.000 0.856 241 N CB -0.052 38.394 38.487 -0.068 0.000 0.993 241 N HN 0.197 nan 8.380 nan 0.000 0.426 242 K N 1.005 121.206 120.400 -0.331 0.000 2.097 242 K HA -0.142 4.179 4.320 0.000 0.000 0.205 242 K C 1.746 178.169 176.600 -0.295 0.000 1.050 242 K CA 1.182 57.246 56.287 -0.371 0.000 0.938 242 K CB 0.044 32.209 32.500 -0.558 0.000 0.718 242 K HN 0.283 nan 8.250 nan 0.000 0.442 243 Q N -0.121 119.484 119.800 -0.325 0.000 2.079 243 Q HA -0.085 4.255 4.340 0.000 0.000 0.200 243 Q C 2.139 178.083 176.000 -0.095 0.000 0.974 243 Q CA 1.417 57.087 55.803 -0.222 0.000 0.840 243 Q CB -0.085 28.532 28.738 -0.201 0.000 0.898 243 Q HN 0.463 nan 8.270 nan 0.000 0.430 244 A N 0.241 123.026 122.820 -0.060 0.000 1.933 244 A HA -0.161 4.159 4.320 0.000 0.000 0.218 244 A C 2.240 179.717 177.584 -0.179 0.000 1.175 244 A CA 1.632 53.575 52.037 -0.157 0.000 0.628 244 A CB -0.452 18.492 19.000 -0.093 0.000 0.814 244 A HN 0.243 nan 8.150 nan 0.000 0.444 245 S N -0.497 115.119 115.700 -0.140 0.000 2.368 245 S HA -0.163 4.307 4.470 0.000 0.000 0.225 245 S C 2.002 176.533 174.600 -0.115 0.000 1.030 245 S CA 1.603 59.728 58.200 -0.125 0.000 0.999 245 S CB -0.227 62.903 63.200 -0.116 0.000 0.844 245 S HN 0.690 nan 8.310 nan 0.000 0.459 246 K N 1.004 121.336 120.400 -0.113 0.000 2.097 246 K HA -0.018 4.302 4.320 0.000 0.000 0.206 246 K C 1.958 178.514 176.600 -0.074 0.000 1.049 246 K CA 0.972 57.211 56.287 -0.081 0.000 0.933 246 K CB -0.199 32.258 32.500 -0.072 0.000 0.717 246 K HN 0.288 nan 8.250 nan 0.000 0.442 247 L N 0.830 121.986 121.223 -0.112 0.000 2.056 247 L HA -0.161 4.179 4.340 0.000 0.000 0.207 247 L C 2.374 179.121 176.870 -0.206 0.000 1.078 247 L CA 0.821 55.565 54.840 -0.159 0.000 0.749 247 L CB -0.332 41.587 42.059 -0.233 0.000 0.901 247 L HN 0.165 nan 8.230 nan 0.000 0.433 248 L N -0.532 120.574 121.223 -0.196 0.000 2.042 248 L HA -0.246 4.094 4.340 0.000 0.000 0.210 248 L C 2.409 179.208 176.870 -0.120 0.000 1.076 248 L CA 1.310 56.049 54.840 -0.168 0.000 0.749 248 L CB -0.432 41.536 42.059 -0.151 0.000 0.893 248 L HN 0.244 nan 8.230 nan 0.000 0.432 249 L N -0.794 120.373 121.223 -0.093 0.000 2.275 249 L HA -0.155 4.185 4.340 0.000 0.000 0.215 249 L C 2.002 178.847 176.870 -0.041 0.000 1.119 249 L CA 0.896 55.700 54.840 -0.061 0.000 0.790 249 L CB -0.337 41.693 42.059 -0.049 0.000 0.919 249 L HN 0.302 nan 8.230 nan 0.000 0.443 250 E N -0.325 119.851 120.200 -0.040 0.000 2.489 250 E HA 0.061 4.411 4.350 0.000 0.000 0.193 250 E C 1.278 177.871 176.600 -0.012 0.000 1.057 250 E CA 0.478 56.891 56.400 0.021 0.000 0.866 250 E CB 0.321 30.109 29.700 0.146 0.000 0.916 250 E HN 0.501 nan 8.360 nan 0.000 0.500 251 G N 0.786 109.529 108.800 -0.095 0.000 2.163 251 G HA2 -0.226 3.734 3.960 0.000 0.000 0.213 251 G HA3 -0.226 3.734 3.960 0.000 0.000 0.213 251 G C 0.190 174.984 174.900 -0.177 0.000 0.991 251 G CA -0.149 44.891 45.100 -0.100 0.000 0.653 251 G HN 0.122 nan 8.290 nan 0.000 0.518 252 V N 1.517 121.253 119.914 -0.298 0.000 2.488 252 V HA 0.570 4.690 4.120 0.000 0.000 0.277 252 V C 0.826 176.795 176.094 -0.208 0.000 1.046 252 V CA -0.176 61.937 62.300 -0.312 0.000 0.986 252 V CB 1.448 33.001 31.823 -0.451 0.000 0.989 252 V HN 0.383 nan 8.190 nan 0.000 0.475 253 M N 7.252 126.772 119.600 -0.133 0.000 2.193 253 M HA 0.413 4.893 4.480 0.000 0.000 0.342 253 M C -0.642 175.636 176.300 -0.037 0.000 1.413 253 M CA 0.375 55.622 55.300 -0.088 0.000 1.191 253 M CB -0.202 32.367 32.600 -0.051 0.000 1.633 253 M HN 0.468 nan 8.290 nan 0.000 0.458 254 I N 5.830 126.341 120.570 -0.098 0.000 2.328 254 I HA 0.107 4.278 4.170 0.000 0.000 0.287 254 I C -0.045 176.106 176.117 0.056 0.000 1.012 254 I CA -0.558 60.696 61.300 -0.076 0.000 1.195 254 I CB 0.925 38.727 38.000 -0.330 0.000 1.350 254 I HN 0.647 nan 8.210 nan 0.000 0.464 255 Y N 2.558 122.805 120.300 -0.088 0.000 2.165 255 Y HA -0.168 4.382 4.550 0.000 0.000 0.286 255 Y C 1.128 177.002 175.900 -0.043 0.000 1.155 255 Y CA 1.138 59.204 58.100 -0.056 0.000 1.164 255 Y CB -0.110 38.328 38.460 -0.037 0.000 0.978 255 Y HN 0.476 nan 8.280 nan 0.000 0.513 256 D N -1.142 119.342 120.400 0.140 0.000 2.479 256 D HA 0.188 4.828 4.640 0.000 0.000 0.246 256 D C -2.302 174.038 176.300 0.067 0.000 1.336 256 D CA -2.289 51.758 54.000 0.078 0.000 0.967 256 D CB 1.654 42.507 40.800 0.088 0.000 1.275 256 D HN -0.108 nan 8.370 nan 0.000 0.577 257 P HA -0.031 nan 4.420 nan 0.000 0.222 257 P C 0.936 178.290 177.300 0.090 0.000 1.147 257 P CA 0.425 63.537 63.100 0.021 0.000 0.790 257 P CB 0.303 31.980 31.700 -0.039 0.000 0.780 258 A N -0.227 122.636 122.820 0.072 0.000 2.206 258 A HA 0.020 4.340 4.320 0.000 0.000 0.211 258 A C 1.599 179.239 177.584 0.094 0.000 1.158 258 A CA 0.472 52.554 52.037 0.076 0.000 0.761 258 A CB -0.631 18.402 19.000 0.054 0.000 0.801 258 A HN 0.090 nan 8.150 nan 0.000 0.473 259 R N -1.219 119.352 120.500 0.118 0.000 2.989 259 R HA 0.430 4.771 4.340 0.000 0.000 0.340 259 R C -1.345 175.063 176.300 0.179 0.000 1.205 259 R CA -0.080 56.088 56.100 0.113 0.000 1.235 259 R CB 0.239 30.590 30.300 0.085 0.000 1.394 259 R HN 0.362 nan 8.270 nan 0.000 0.598 260 F N -0.153 119.803 119.950 0.010 0.000 2.596 260 F HA 0.417 4.944 4.527 0.000 0.000 0.311 260 F C -1.718 174.091 175.800 0.016 0.000 1.116 260 F CA -0.845 57.157 58.000 0.004 0.000 0.957 260 F CB 2.019 41.015 39.000 -0.005 0.000 1.250 260 F HN 0.020 nan 8.300 nan 0.000 0.444 261 D N 5.417 125.332 120.400 -0.809 0.000 2.757 261 D HA 0.473 5.113 4.640 0.000 0.000 0.249 261 D C -1.748 174.104 176.300 -0.746 0.000 1.168 261 D CA -0.280 53.394 54.000 -0.542 0.000 0.870 261 D CB 2.413 43.076 40.800 -0.228 0.000 1.411 261 D HN 0.499 nan 8.370 nan 0.000 0.525 262 L N 2.401 123.380 121.223 -0.408 0.000 2.325 262 L HA 0.592 4.932 4.340 0.000 0.000 0.281 262 L C -0.869 176.019 176.870 0.029 0.000 1.004 262 L CA -0.441 54.300 54.840 -0.165 0.000 0.823 262 L CB 1.210 43.303 42.059 0.056 0.000 1.236 262 L HN 0.316 nan 8.230 nan 0.000 0.415 263 R N 4.106 124.618 120.500 0.022 0.000 2.835 263 R HA 0.738 5.078 4.340 0.000 0.000 0.290 263 R C 0.004 176.341 176.300 0.063 0.000 1.410 263 R CA 0.265 56.404 56.100 0.066 0.000 1.590 263 R CB 0.996 31.312 30.300 0.027 0.000 1.288 263 R HN 1.004 nan 8.270 nan 0.000 0.637 264 G N -0.742 108.116 108.800 0.096 0.000 2.470 264 G HA2 -0.038 3.922 3.960 0.000 0.000 0.145 264 G HA3 -0.038 3.922 3.960 0.000 0.000 0.145 264 G C -1.089 173.866 174.900 0.092 0.000 1.223 264 G CA -0.189 44.955 45.100 0.073 0.000 1.058 264 G HN 0.258 nan 8.290 nan 0.000 0.469 265 T N -1.624 112.972 114.554 0.071 0.000 2.876 265 T HA 0.711 5.061 4.350 0.000 0.000 0.289 265 T C -1.251 173.496 174.700 0.078 0.000 1.014 265 T CA -0.553 61.593 62.100 0.076 0.000 0.986 265 T CB 2.024 70.925 68.868 0.055 0.000 1.021 265 T HN 1.564 nan 8.240 nan 0.000 0.458 266 L N 1.816 123.098 121.223 0.099 0.000 2.376 266 L HA 0.644 4.985 4.340 0.000 0.000 0.275 266 L C -0.399 176.533 176.870 0.104 0.000 0.987 266 L CA -0.551 54.360 54.840 0.118 0.000 0.828 266 L CB 1.617 43.783 42.059 0.178 0.000 1.249 266 L HN 0.972 nan 8.230 nan 0.000 0.409 267 E N 3.390 123.627 120.200 0.062 0.000 2.179 267 E HA 0.542 4.892 4.350 0.000 0.000 0.275 267 E C -1.523 175.095 176.600 0.030 0.000 0.945 267 E CA -0.546 55.847 56.400 -0.012 0.000 0.792 267 E CB 0.880 30.561 29.700 -0.031 0.000 1.125 267 E HN 0.828 nan 8.360 nan 0.000 0.397 268 H N 1.123 120.198 119.070 0.008 0.000 2.961 268 H HA 0.628 5.184 4.556 0.001 0.000 0.371 268 H C -0.051 175.275 175.328 -0.003 0.000 1.190 268 H CA -0.738 55.312 56.048 0.003 0.000 1.138 268 H CB 1.252 31.014 29.762 -0.000 0.000 1.816 268 H HN 0.528 nan 8.280 nan 0.000 0.551 269 G N 0.800 109.689 108.800 0.149 0.000 2.582 269 G HA2 0.357 4.317 3.960 0.000 0.000 0.232 269 G HA3 0.357 4.317 3.960 0.000 0.000 0.232 269 G C -0.707 174.312 174.900 0.198 0.000 1.458 269 G CA -1.068 44.098 45.100 0.111 0.000 1.062 269 G HN 0.918 nan 8.290 nan 0.000 0.566 270 K N -0.858 119.600 120.400 0.096 0.000 2.095 270 K HA 0.364 4.684 4.320 0.000 0.000 0.252 270 K C -0.806 175.812 176.600 0.030 0.000 0.977 270 K CA -0.202 56.125 56.287 0.066 0.000 0.900 270 K CB 1.425 33.948 32.500 0.038 0.000 1.060 270 K HN 0.386 nan 8.250 nan 0.000 0.449 271 D N -0.347 120.055 120.400 0.003 0.000 2.870 271 D HA -0.128 4.512 4.640 0.000 0.000 0.228 271 D C -0.515 175.780 176.300 -0.007 0.000 1.147 271 D CA 0.617 54.612 54.000 -0.008 0.000 0.757 271 D CB -1.268 39.530 40.800 -0.002 0.000 1.091 271 D HN 0.324 nan 8.370 nan 0.000 0.429 272 V N 0.644 120.547 119.914 -0.018 0.000 2.614 272 V HA 0.131 4.251 4.120 0.000 0.000 0.291 272 V C 0.827 176.908 176.094 -0.022 0.000 1.049 272 V CA 0.345 62.634 62.300 -0.018 0.000 1.038 272 V CB 1.575 33.383 31.823 -0.025 0.000 0.980 272 V HN 0.009 nan 8.190 nan 0.000 0.481 273 E N 4.717 124.922 120.200 0.008 0.000 2.199 273 E HA 0.590 4.940 4.350 0.000 0.000 0.265 273 E C -1.156 175.452 176.600 0.014 0.000 0.882 273 E CA -0.473 55.964 56.400 0.062 0.000 0.759 273 E CB 2.265 32.038 29.700 0.121 0.000 1.148 273 E HN 0.541 nan 8.360 nan 0.000 0.412 274 I N 2.730 123.312 120.570 0.019 0.000 2.439 274 I HA 0.202 4.372 4.170 0.000 0.000 0.283 274 I C -0.070 175.962 176.117 -0.141 0.000 1.023 274 I CA -0.744 60.530 61.300 -0.042 0.000 1.100 274 I CB 1.381 39.390 38.000 0.015 0.000 1.238 274 I HN 0.456 nan 8.210 nan 0.000 0.445 275 D N 4.021 124.210 120.400 -0.352 0.000 2.414 275 D HA 0.202 4.842 4.640 0.000 0.000 0.259 275 D C -0.155 176.013 176.300 -0.221 0.000 1.269 275 D CA -0.123 53.523 54.000 -0.589 0.000 1.028 275 D CB 1.512 41.943 40.800 -0.615 0.000 1.093 275 D HN 0.037 nan 8.370 nan 0.000 0.545 276 V N 2.373 122.178 119.914 -0.182 0.000 2.715 276 V HA 0.038 4.158 4.120 0.000 0.000 0.299 276 V C 0.278 176.350 176.094 -0.038 0.000 1.054 276 V CA -0.122 62.156 62.300 -0.036 0.000 1.077 276 V CB 0.468 32.286 31.823 -0.008 0.000 0.972 276 V HN 0.680 nan 8.190 nan 0.000 0.484 277 N N 1.955 120.666 118.700 0.020 0.000 2.746 277 N HA -0.139 4.602 4.740 0.000 0.000 0.250 277 N C -0.661 174.836 175.510 -0.022 0.000 1.055 277 N CA 0.451 53.507 53.050 0.010 0.000 0.699 277 N CB -0.923 37.575 38.487 0.017 0.000 0.919 277 N HN 0.361 nan 8.380 nan 0.000 0.548 278 V N 1.071 120.981 119.914 -0.005 0.000 2.630 278 V HA 0.576 4.697 4.120 0.000 0.000 0.305 278 V C 0.852 176.868 176.094 -0.130 0.000 1.046 278 V CA -0.568 61.710 62.300 -0.037 0.000 0.934 278 V CB 2.326 34.168 31.823 0.031 0.000 1.003 278 V HN 0.147 nan 8.190 nan 0.000 0.451 279 I N 4.951 125.445 120.570 -0.127 0.000 2.436 279 I HA 0.480 4.650 4.170 0.000 0.000 0.289 279 I C -1.025 175.008 176.117 -0.140 0.000 1.010 279 I CA -0.505 60.690 61.300 -0.176 0.000 1.098 279 I CB 1.924 39.867 38.000 -0.095 0.000 1.266 279 I HN 0.290 nan 8.210 nan 0.000 0.434 280 I N 5.675 126.132 120.570 -0.189 0.000 2.389 280 I HA 0.446 4.617 4.170 0.000 0.000 0.288 280 I C -0.242 175.840 176.117 -0.058 0.000 0.999 280 I CA -0.408 60.838 61.300 -0.090 0.000 1.129 280 I CB 1.515 39.481 38.000 -0.057 0.000 1.288 280 I HN 0.645 nan 8.210 nan 0.000 0.444 281 E N 3.121 123.309 120.200 -0.021 0.000 2.312 281 E HA 0.663 5.013 4.350 0.000 0.000 0.267 281 E C 0.319 176.924 176.600 0.008 0.000 0.894 281 E CA -0.685 55.712 56.400 -0.005 0.000 0.773 281 E CB 2.618 32.314 29.700 -0.005 0.000 1.241 281 E HN 0.767 nan 8.360 nan 0.000 0.432 282 G N 2.563 111.371 108.800 0.013 0.000 2.566 282 G HA2 -0.279 3.681 3.960 0.000 0.000 0.280 282 G HA3 -0.279 3.681 3.960 0.000 0.000 0.280 282 G C -0.487 174.426 174.900 0.021 0.000 1.225 282 G CA -0.391 44.717 45.100 0.013 0.000 0.966 282 G HN 0.563 nan 8.290 nan 0.000 0.560 283 N N 0.469 119.179 118.700 0.017 0.000 2.457 283 N HA 0.500 5.240 4.740 0.000 0.000 0.250 283 N C -0.557 174.966 175.510 0.022 0.000 0.982 283 N CA -0.131 52.931 53.050 0.021 0.000 0.941 283 N CB 1.833 40.328 38.487 0.014 0.000 1.120 283 N HN 0.505 nan 8.380 nan 0.000 0.505 284 V N 2.093 122.026 119.914 0.032 0.000 2.604 284 V HA 0.390 4.510 4.120 0.000 0.000 0.305 284 V C 0.030 176.147 176.094 0.039 0.000 1.043 284 V CA -0.810 61.510 62.300 0.034 0.000 0.888 284 V CB 2.371 34.219 31.823 0.042 0.000 0.995 284 V HN 0.504 nan 8.190 nan 0.000 0.429 285 K N 5.000 125.418 120.400 0.030 0.000 2.413 285 K HA 0.729 5.049 4.320 0.000 0.000 0.257 285 K C -1.741 174.878 176.600 0.032 0.000 0.946 285 K CA -0.582 55.722 56.287 0.028 0.000 0.823 285 K CB 1.387 33.894 32.500 0.011 0.000 1.109 285 K HN 0.634 nan 8.250 nan 0.000 0.427 286 L N 3.542 124.795 121.223 0.049 0.000 2.341 286 L HA 0.517 4.858 4.340 0.000 0.000 0.278 286 L C 0.769 177.667 176.870 0.046 0.000 1.005 286 L CA -1.039 53.830 54.840 0.048 0.000 0.818 286 L CB 1.893 43.992 42.059 0.068 0.000 1.259 286 L HN 0.828 nan 8.230 nan 0.000 0.418 287 G N 1.111 109.926 108.800 0.026 0.000 2.553 287 G HA2 0.163 4.123 3.960 0.000 0.000 0.278 287 G HA3 0.163 4.123 3.960 0.000 0.000 0.278 287 G C -0.469 174.448 174.900 0.029 0.000 1.349 287 G CA -0.567 44.545 45.100 0.021 0.000 1.037 287 G HN 0.562 nan 8.290 nan 0.000 0.508 288 D N 0.463 120.876 120.400 0.021 0.000 2.443 288 D HA 0.110 4.750 4.640 0.000 0.000 0.239 288 D C 1.056 177.364 176.300 0.013 0.000 1.136 288 D CA 0.337 54.350 54.000 0.022 0.000 0.879 288 D CB 0.519 41.328 40.800 0.014 0.000 1.195 288 D HN 0.611 nan 8.370 nan 0.000 0.443 289 R N -1.442 119.066 120.500 0.013 0.000 3.610 289 R HA -0.179 4.162 4.340 0.000 0.000 0.274 289 R C -0.785 175.515 176.300 0.001 0.000 1.123 289 R CA 0.036 56.139 56.100 0.005 0.000 0.747 289 R CB -2.668 27.633 30.300 0.002 0.000 1.149 289 R HN 0.174 nan 8.270 nan 0.000 0.471 290 V N 1.487 121.403 119.914 0.003 0.000 2.572 290 V HA 0.114 4.234 4.120 0.000 0.000 0.291 290 V C 0.948 177.037 176.094 -0.008 0.000 1.039 290 V CA 0.378 62.676 62.300 -0.004 0.000 1.055 290 V CB 1.189 33.014 31.823 0.003 0.000 0.969 290 V HN 0.248 nan 8.190 nan 0.000 0.482 291 K N 5.971 126.358 120.400 -0.021 0.000 2.274 291 K HA 0.647 4.967 4.320 0.000 0.000 0.262 291 K C -1.052 175.514 176.600 -0.058 0.000 0.961 291 K CA -0.472 55.796 56.287 -0.032 0.000 0.833 291 K CB 2.092 34.573 32.500 -0.031 0.000 1.102 291 K HN 0.503 nan 8.250 nan 0.000 0.436 292 I N 2.241 122.765 120.570 -0.077 0.000 2.382 292 I HA 0.239 4.410 4.170 0.000 0.000 0.286 292 I C 0.691 176.706 176.117 -0.170 0.000 1.002 292 I CA -0.704 60.536 61.300 -0.100 0.000 1.135 292 I CB 1.778 39.742 38.000 -0.059 0.000 1.288 292 I HN 0.690 nan 8.210 nan 0.000 0.448 293 G N 3.306 111.988 108.800 -0.196 0.000 2.616 293 G HA2 0.210 4.170 3.960 0.000 0.000 0.268 293 G HA3 0.210 4.170 3.960 0.000 0.000 0.268 293 G C 0.014 174.722 174.900 -0.320 0.000 1.213 293 G CA -0.218 44.722 45.100 -0.266 0.000 0.926 293 G HN 0.488 nan 8.290 nan 0.000 0.523 294 T N -1.323 112.998 114.554 -0.387 0.000 2.940 294 T HA 0.398 4.748 4.350 0.000 0.000 0.309 294 T C 1.603 175.935 174.700 -0.612 0.000 1.056 294 T CA 1.690 63.545 62.100 -0.409 0.000 1.137 294 T CB 0.052 68.714 68.868 -0.342 0.000 0.976 294 T HN 2.048 nan 8.240 nan 0.000 0.547 295 G N 2.704 111.275 108.800 -0.381 0.000 2.159 295 G HA2 -0.241 3.719 3.960 0.000 0.000 0.256 295 G HA3 -0.241 3.719 3.960 0.000 0.000 0.256 295 G C 0.548 175.359 174.900 -0.148 0.000 0.977 295 G CA 0.061 44.998 45.100 -0.272 0.000 0.652 295 G HN 0.968 nan 8.290 nan 0.000 0.531 296 C N 0.063 119.259 119.300 -0.173 0.000 2.604 296 C HA 0.604 5.064 4.460 0.000 0.000 0.396 296 C C 0.943 175.906 174.990 -0.045 0.000 1.282 296 C CA -0.339 58.619 59.018 -0.098 0.000 2.292 296 C CB 1.183 28.855 27.740 -0.113 0.000 2.633 296 C HN 0.432 nan 8.230 nan 0.000 0.620 297 V N 4.225 124.128 119.914 -0.018 0.000 2.443 297 V HA 0.448 4.569 4.120 0.000 0.000 0.293 297 V C -0.697 175.392 176.094 -0.008 0.000 1.021 297 V CA -0.334 61.959 62.300 -0.011 0.000 0.848 297 V CB 1.317 33.146 31.823 0.010 0.000 0.998 297 V HN 0.562 nan 8.190 nan 0.000 0.424 298 L N 5.130 126.345 121.223 -0.014 0.000 2.343 298 L HA 0.598 4.938 4.340 0.000 0.000 0.278 298 L C -0.262 176.607 176.870 -0.002 0.000 0.996 298 L CA -0.132 54.705 54.840 -0.005 0.000 0.831 298 L CB 1.651 43.710 42.059 -0.001 0.000 1.232 298 L HN 0.612 nan 8.230 nan 0.000 0.413 299 K N 3.434 123.836 120.400 0.003 0.000 2.450 299 K HA 0.437 4.758 4.320 0.000 0.000 0.257 299 K C -0.561 176.043 176.600 0.007 0.000 0.953 299 K CA -0.450 55.839 56.287 0.004 0.000 0.844 299 K CB 0.706 33.209 32.500 0.005 0.000 1.103 299 K HN 0.531 nan 8.250 nan 0.000 0.429 300 N N 1.427 120.131 118.700 0.008 0.000 2.671 300 N HA -0.159 4.582 4.740 0.000 0.000 0.261 300 N C -0.927 174.587 175.510 0.007 0.000 1.053 300 N CA 1.327 54.381 53.050 0.008 0.000 0.732 300 N CB -1.229 37.261 38.487 0.005 0.000 0.887 300 N HN 0.459 nan 8.380 nan 0.000 0.546 301 V N -3.426 116.493 119.914 0.008 0.000 3.040 301 V HA 0.854 4.975 4.120 0.000 0.000 0.312 301 V C 0.126 176.225 176.094 0.007 0.000 1.115 301 V CA -0.890 61.414 62.300 0.006 0.000 0.998 301 V CB 2.919 34.744 31.823 0.004 0.000 1.042 301 V HN -0.101 nan 8.190 nan 0.000 0.433 302 V N 4.547 124.462 119.914 0.003 0.000 2.409 302 V HA 0.572 4.692 4.120 0.000 0.000 0.291 302 V C -0.549 175.544 176.094 -0.001 0.000 1.020 302 V CA -0.376 61.926 62.300 0.002 0.000 0.848 302 V CB 1.403 33.226 31.823 -0.001 0.000 0.990 302 V HN 0.741 nan 8.190 nan 0.000 0.430 303 I N 4.105 124.676 120.570 0.001 0.000 2.389 303 I HA 0.509 4.679 4.170 0.000 0.000 0.288 303 I C 0.862 176.977 176.117 -0.005 0.000 0.999 303 I CA -0.064 61.233 61.300 -0.005 0.000 1.129 303 I CB 1.425 39.423 38.000 -0.003 0.000 1.288 303 I HN 0.685 nan 8.210 nan 0.000 0.444 304 G N 5.015 113.807 108.800 -0.012 0.000 2.616 304 G HA2 0.162 4.122 3.960 0.000 0.000 0.268 304 G HA3 0.162 4.122 3.960 0.000 0.000 0.268 304 G C 0.195 175.088 174.900 -0.011 0.000 1.213 304 G CA -0.482 44.611 45.100 -0.012 0.000 0.926 304 G HN 0.611 nan 8.290 nan 0.000 0.523 305 N N 0.787 119.482 118.700 -0.009 0.000 2.294 305 N HA 0.025 4.765 4.740 0.000 0.000 0.248 305 N C 0.334 175.835 175.510 -0.014 0.000 1.242 305 N CA 0.504 53.550 53.050 -0.007 0.000 0.848 305 N CB 0.277 38.760 38.487 -0.006 0.000 1.084 305 N HN 0.579 nan 8.380 nan 0.000 0.457 306 D N -2.146 118.247 120.400 -0.012 0.000 3.012 306 D HA -0.170 4.470 4.640 0.000 0.000 0.222 306 D C -0.133 176.150 176.300 -0.027 0.000 1.167 306 D CA 0.570 54.560 54.000 -0.017 0.000 0.854 306 D CB -1.314 39.477 40.800 -0.016 0.000 1.107 306 D HN 0.365 nan 8.370 nan 0.000 0.421 307 V N -0.441 119.455 119.914 -0.030 0.000 2.567 307 V HA 0.482 4.603 4.120 0.000 0.000 0.289 307 V C 0.089 176.159 176.094 -0.039 0.000 1.049 307 V CA -0.437 61.837 62.300 -0.043 0.000 0.969 307 V CB 2.128 33.922 31.823 -0.047 0.000 0.995 307 V HN 0.142 nan 8.190 nan 0.000 0.471 308 E N 4.946 125.118 120.200 -0.047 0.000 2.151 308 E HA 0.528 4.879 4.350 0.000 0.000 0.275 308 E C -1.118 175.446 176.600 -0.060 0.000 0.936 308 E CA -0.794 55.577 56.400 -0.049 0.000 0.777 308 E CB 1.577 31.252 29.700 -0.042 0.000 1.108 308 E HN 0.837 nan 8.360 nan 0.000 0.401 309 I N 5.040 125.569 120.570 -0.069 0.000 2.328 309 I HA 0.265 4.435 4.170 0.000 0.000 0.287 309 I C 0.197 176.245 176.117 -0.115 0.000 1.012 309 I CA -0.701 60.550 61.300 -0.083 0.000 1.195 309 I CB 1.229 39.185 38.000 -0.074 0.000 1.350 309 I HN 0.358 nan 8.210 nan 0.000 0.464 310 K N 6.508 126.832 120.400 -0.126 0.000 2.102 310 K HA 0.403 4.724 4.320 0.000 0.000 0.244 310 K C -2.404 174.048 176.600 -0.246 0.000 1.021 310 K CA -1.591 54.595 56.287 -0.167 0.000 0.913 310 K CB 0.247 32.661 32.500 -0.142 0.000 1.062 310 K HN 0.189 nan 8.250 nan 0.000 0.485 311 P HA -0.129 nan 4.420 nan 0.000 0.266 311 P C -1.086 175.902 177.300 -0.521 0.000 1.186 311 P CA 0.606 63.384 63.100 -0.537 0.000 0.767 311 P CB -0.008 31.354 31.700 -0.563 0.000 0.820 312 Y N -1.297 118.841 120.300 -0.270 0.000 3.234 312 Y HA -0.218 4.332 4.550 0.000 0.000 0.207 312 Y C 0.114 175.925 175.900 -0.148 0.000 1.316 312 Y CA 0.002 57.975 58.100 -0.212 0.000 1.309 312 Y CB -2.528 35.757 38.460 -0.292 0.000 1.408 312 Y HN 0.162 nan 8.280 nan 0.000 0.544 313 S N 0.121 115.790 115.700 -0.051 0.000 2.475 313 S HA 0.729 5.200 4.470 0.000 0.000 0.298 313 S C -0.009 174.601 174.600 0.016 0.000 1.119 313 S CA -0.882 57.312 58.200 -0.009 0.000 1.085 313 S CB 2.298 65.466 63.200 -0.054 0.000 1.028 313 S HN 0.129 nan 8.310 nan 0.000 0.489 314 V N 4.305 124.246 119.914 0.045 0.000 2.409 314 V HA 0.534 4.654 4.120 0.000 0.000 0.291 314 V C -1.066 175.047 176.094 0.031 0.000 1.020 314 V CA -0.598 61.727 62.300 0.042 0.000 0.848 314 V CB 1.121 32.983 31.823 0.065 0.000 0.990 314 V HN 0.640 nan 8.190 nan 0.000 0.430 315 L N 4.498 125.732 121.223 0.018 0.000 2.410 315 L HA 0.670 5.011 4.340 0.000 0.000 0.270 315 L C -0.415 176.463 176.870 0.013 0.000 0.983 315 L CA -0.117 54.731 54.840 0.014 0.000 0.822 315 L CB 2.021 44.082 42.059 0.003 0.000 1.285 315 L HN 0.748 nan 8.230 nan 0.000 0.409 316 E N 2.089 122.298 120.200 0.016 0.000 2.290 316 E HA 0.305 4.655 4.350 0.000 0.000 0.274 316 E C -1.133 175.474 176.600 0.011 0.000 0.889 316 E CA -0.485 55.923 56.400 0.013 0.000 0.760 316 E CB 1.274 30.984 29.700 0.016 0.000 1.206 316 E HN 0.570 nan 8.360 nan 0.000 0.419 317 D N 2.010 122.415 120.400 0.008 0.000 2.697 317 D HA -0.137 4.503 4.640 0.000 0.000 0.238 317 D C -1.462 174.841 176.300 0.005 0.000 1.152 317 D CA 1.257 55.261 54.000 0.006 0.000 0.666 317 D CB -0.889 39.915 40.800 0.007 0.000 1.037 317 D HN 0.301 nan 8.370 nan 0.000 0.423 318 S N -0.507 115.194 115.700 0.003 0.000 2.595 318 S HA 0.786 5.257 4.470 0.000 0.000 0.281 318 S C 0.035 174.634 174.600 -0.003 0.000 1.117 318 S CA -0.713 57.487 58.200 0.001 0.000 0.873 318 S CB 2.235 65.435 63.200 0.001 0.000 1.108 318 S HN 0.211 nan 8.310 nan 0.000 0.477 319 I N 1.535 122.101 120.570 -0.006 0.000 2.509 319 I HA 0.585 4.755 4.170 0.000 0.000 0.293 319 I C -1.223 174.885 176.117 -0.014 0.000 1.020 319 I CA -0.850 60.445 61.300 -0.009 0.000 1.088 319 I CB 2.006 40.001 38.000 -0.008 0.000 1.267 319 I HN 0.247 nan 8.210 nan 0.000 0.430 320 V N 4.504 124.408 119.914 -0.017 0.000 2.525 320 V HA 0.553 4.673 4.120 0.000 0.000 0.299 320 V C 0.534 176.611 176.094 -0.028 0.000 1.034 320 V CA -0.602 61.682 62.300 -0.026 0.000 0.863 320 V CB 1.492 33.297 31.823 -0.030 0.000 0.999 320 V HN 0.900 nan 8.190 nan 0.000 0.423 321 G N 3.150 111.930 108.800 -0.033 0.000 2.616 321 G HA2 0.456 4.417 3.960 0.000 0.000 0.268 321 G HA3 0.456 4.417 3.960 0.000 0.000 0.268 321 G C -0.007 174.869 174.900 -0.040 0.000 1.213 321 G CA -0.462 44.619 45.100 -0.032 0.000 0.926 321 G HN 0.904 nan 8.290 nan 0.000 0.523 322 E N -0.691 119.489 120.200 -0.034 0.000 2.398 322 E HA 0.190 4.541 4.350 0.000 0.000 0.263 322 E C -0.176 176.394 176.600 -0.050 0.000 1.046 322 E CA -0.096 56.283 56.400 -0.035 0.000 0.908 322 E CB 0.551 30.236 29.700 -0.024 0.000 0.963 322 E HN 0.553 nan 8.360 nan 0.000 0.431 323 K N -0.699 119.670 120.400 -0.052 0.000 3.407 323 K HA -0.241 4.080 4.320 0.000 0.000 0.312 323 K C -0.023 176.505 176.600 -0.119 0.000 1.302 323 K CA 0.627 56.874 56.287 -0.066 0.000 0.931 323 K CB -1.930 30.539 32.500 -0.051 0.000 1.257 323 K HN 0.702 nan 8.250 nan 0.000 0.454 324 A N 0.904 123.649 122.820 -0.125 0.000 2.386 324 A HA 0.595 4.915 4.320 0.000 0.000 0.248 324 A C 0.322 177.806 177.584 -0.167 0.000 1.082 324 A CA 0.430 52.358 52.037 -0.182 0.000 0.789 324 A CB 0.516 19.440 19.000 -0.127 0.000 1.025 324 A HN 0.444 nan 8.150 nan 0.000 0.490 325 A N 1.947 124.639 122.820 -0.213 0.000 2.335 325 A HA 0.636 4.956 4.320 0.000 0.000 0.304 325 A C -0.667 176.876 177.584 -0.067 0.000 1.118 325 A CA -0.410 51.563 52.037 -0.107 0.000 0.757 325 A CB 0.484 19.463 19.000 -0.035 0.000 1.188 325 A HN 0.595 nan 8.150 nan 0.000 0.460 326 I N 1.707 122.243 120.570 -0.058 0.000 2.569 326 I HA 0.791 4.962 4.170 0.000 0.000 0.296 326 I C 0.797 176.877 176.117 -0.063 0.000 1.028 326 I CA 0.318 61.587 61.300 -0.052 0.000 1.082 326 I CB 0.743 38.712 38.000 -0.050 0.000 1.264 326 I HN 1.280 nan 8.210 nan 0.000 0.429 327 G N 7.091 115.851 108.800 -0.067 0.000 2.685 327 G HA2 -0.065 3.896 3.960 0.000 0.000 0.387 327 G HA3 -0.065 3.896 3.960 0.000 0.000 0.387 327 G C -3.127 171.706 174.900 -0.111 0.000 1.324 327 G CA -0.940 44.100 45.100 -0.100 0.000 0.878 327 G HN 0.482 nan 8.290 nan 0.000 0.527 328 P HA 0.553 nan 4.420 nan 0.000 0.276 328 P C 0.209 177.382 177.300 -0.211 0.000 1.261 328 P CA 0.026 62.952 63.100 -0.290 0.000 0.800 328 P CB 0.113 31.537 31.700 -0.459 0.000 1.066 329 F N -3.105 116.821 119.950 -0.039 0.000 3.071 329 F HA -0.187 4.340 4.527 0.000 0.000 0.295 329 F C 0.290 176.055 175.800 -0.058 0.000 0.919 329 F CA 0.605 58.581 58.000 -0.040 0.000 1.050 329 F CB -2.848 36.026 39.000 -0.209 0.000 1.040 329 F HN 0.028 nan 8.300 nan 0.000 0.692 330 S N 0.236 115.981 115.700 0.074 0.000 2.565 330 S HA 0.729 5.200 4.470 0.000 0.000 0.290 330 S C 0.223 174.870 174.600 0.079 0.000 1.150 330 S CA -0.912 57.323 58.200 0.058 0.000 1.058 330 S CB 2.392 65.595 63.200 0.006 0.000 1.032 330 S HN 0.259 nan 8.310 nan 0.000 0.510 331 R N 2.495 123.047 120.500 0.087 0.000 2.409 331 R HA 0.415 4.755 4.340 0.000 0.000 0.313 331 R C -1.564 174.776 176.300 0.067 0.000 0.953 331 R CA -0.393 55.758 56.100 0.084 0.000 0.849 331 R CB 0.794 31.157 30.300 0.106 0.000 1.171 331 R HN 0.598 nan 8.270 nan 0.000 0.458 332 L N 5.162 126.414 121.223 0.047 0.000 2.276 332 L HA 0.515 4.856 4.340 0.000 0.000 0.286 332 L C 0.758 177.651 176.870 0.039 0.000 1.024 332 L CA -0.597 54.264 54.840 0.035 0.000 0.826 332 L CB 1.394 43.463 42.059 0.017 0.000 1.211 332 L HN 0.340 nan 8.230 nan 0.000 0.422 333 R N 2.931 123.459 120.500 0.048 0.000 2.553 333 R HA 0.447 4.787 4.340 0.000 0.000 0.263 333 R C -2.365 173.954 176.300 0.032 0.000 1.066 333 R CA -1.912 54.216 56.100 0.047 0.000 1.135 333 R CB 0.749 31.091 30.300 0.070 0.000 1.148 333 R HN 0.245 nan 8.270 nan 0.000 0.558 334 P HA -0.077 nan 4.420 nan 0.000 0.263 334 P C 0.345 177.654 177.300 0.015 0.000 1.175 334 P CA 1.200 64.311 63.100 0.017 0.000 0.761 334 P CB 0.327 32.036 31.700 0.015 0.000 0.794 335 G N 1.773 110.578 108.800 0.008 0.000 2.159 335 G HA2 -0.181 3.780 3.960 0.000 0.000 0.256 335 G HA3 -0.181 3.780 3.960 0.000 0.000 0.256 335 G C 0.363 175.263 174.900 0.000 0.000 0.977 335 G CA -0.068 45.035 45.100 0.004 0.000 0.652 335 G HN 0.839 nan 8.290 nan 0.000 0.531 336 A N 0.292 123.113 122.820 0.001 0.000 2.404 336 A HA 0.610 4.930 4.320 0.000 0.000 0.273 336 A C 0.336 177.915 177.584 -0.008 0.000 1.144 336 A CA 0.234 52.268 52.037 -0.005 0.000 0.806 336 A CB 0.247 19.247 19.000 -0.001 0.000 1.080 336 A HN 0.477 nan 8.150 nan 0.000 0.509 337 E N 2.358 122.550 120.200 -0.012 0.000 2.182 337 E HA 0.418 4.768 4.350 0.000 0.000 0.258 337 E C -1.649 174.941 176.600 -0.018 0.000 0.879 337 E CA -0.617 55.775 56.400 -0.013 0.000 0.754 337 E CB 1.604 31.298 29.700 -0.011 0.000 1.162 337 E HN 0.451 nan 8.360 nan 0.000 0.419 338 L N 2.613 123.823 121.223 -0.021 0.000 2.287 338 L HA 0.463 4.803 4.340 0.000 0.000 0.287 338 L C 0.416 177.268 176.870 -0.030 0.000 1.022 338 L CA -0.303 54.521 54.840 -0.028 0.000 0.814 338 L CB 1.319 43.357 42.059 -0.034 0.000 1.217 338 L HN 0.602 nan 8.230 nan 0.000 0.420 339 A N 2.771 125.574 122.820 -0.029 0.000 2.262 339 A HA 0.768 5.088 4.320 0.000 0.000 0.273 339 A C 0.427 177.986 177.584 -0.040 0.000 1.202 339 A CA 0.076 52.096 52.037 -0.028 0.000 0.811 339 A CB -0.037 18.951 19.000 -0.020 0.000 1.159 339 A HN 0.835 nan 8.150 nan 0.000 0.505 340 A N -1.333 121.465 122.820 -0.036 0.000 2.483 340 A HA 0.435 4.756 4.320 0.000 0.000 0.238 340 A C 0.586 178.132 177.584 -0.064 0.000 1.070 340 A CA 0.730 52.739 52.037 -0.046 0.000 0.770 340 A CB -0.663 18.318 19.000 -0.031 0.000 1.008 340 A HN 1.089 nan 8.150 nan 0.000 0.497 341 E N -0.869 119.272 120.200 -0.099 0.000 2.791 341 E HA -0.198 4.153 4.350 0.000 0.000 0.271 341 E C 0.295 176.768 176.600 -0.212 0.000 1.044 341 E CA 0.939 57.254 56.400 -0.142 0.000 0.814 341 E CB -2.169 27.497 29.700 -0.058 0.000 1.400 341 E HN 1.034 nan 8.360 nan 0.000 0.423 342 T N -2.026 112.405 114.554 -0.205 0.000 2.849 342 T HA 0.479 4.829 4.350 0.000 0.000 0.284 342 T C -0.091 174.388 174.700 -0.368 0.000 1.004 342 T CA -0.506 61.490 62.100 -0.173 0.000 1.021 342 T CB 1.177 69.997 68.868 -0.080 0.000 1.013 342 T HN 0.212 nan 8.240 nan 0.000 0.527 343 H N -0.954 118.094 119.070 -0.037 0.000 2.744 343 H HA 0.603 5.160 4.556 0.001 0.000 0.339 343 H C -1.048 174.243 175.328 -0.062 0.000 1.004 343 H CA -0.691 55.327 56.048 -0.050 0.000 1.257 343 H CB 1.655 31.385 29.762 -0.054 0.000 1.552 343 H HN 0.493 nan 8.280 nan 0.000 0.522 344 V N 3.097 123.029 119.914 0.029 0.000 2.487 344 V HA 0.662 4.782 4.120 0.000 0.000 0.298 344 V C 0.606 176.679 176.094 -0.035 0.000 1.028 344 V CA -0.518 61.776 62.300 -0.010 0.000 0.860 344 V CB 1.698 33.511 31.823 -0.017 0.000 0.991 344 V HN 0.938 nan 8.190 nan 0.000 0.427 345 G N 3.272 112.028 108.800 -0.074 0.000 2.971 345 G HA2 0.375 4.335 3.960 0.000 0.000 0.235 345 G HA3 0.375 4.335 3.960 0.000 0.000 0.235 345 G C -0.301 174.524 174.900 -0.125 0.000 1.351 345 G CA -0.991 44.036 45.100 -0.123 0.000 1.039 345 G HN 0.829 nan 8.290 nan 0.000 0.563 346 N N -1.405 117.171 118.700 -0.207 0.000 2.518 346 N HA 0.208 4.949 4.740 0.000 0.000 0.266 346 N C -0.797 174.464 175.510 -0.415 0.000 1.196 346 N CA -0.314 52.459 53.050 -0.461 0.000 0.947 346 N CB 0.510 38.514 38.487 -0.805 0.000 1.098 346 N HN 0.378 nan 8.380 nan 0.000 0.450 347 F N -1.756 118.290 119.950 0.160 0.000 3.074 347 F HA -0.178 4.349 4.527 0.000 0.000 0.287 347 F C -0.899 174.957 175.800 0.093 0.000 0.932 347 F CA -0.263 57.793 58.000 0.094 0.000 0.995 347 F CB -2.283 36.739 39.000 0.037 0.000 0.966 347 F HN 0.245 nan 8.300 nan 0.000 0.721 348 V N 0.074 120.088 119.914 0.167 0.000 2.555 348 V HA 0.555 4.675 4.120 0.000 0.000 0.302 348 V C 0.081 176.255 176.094 0.133 0.000 1.038 348 V CA -1.057 61.323 62.300 0.132 0.000 0.887 348 V CB 2.336 34.197 31.823 0.064 0.000 0.991 348 V HN 0.298 nan 8.190 nan 0.000 0.434 349 E N 4.458 124.754 120.200 0.162 0.000 2.199 349 E HA 0.616 4.967 4.350 0.000 0.000 0.265 349 E C -1.654 175.030 176.600 0.140 0.000 0.882 349 E CA -0.580 55.933 56.400 0.187 0.000 0.759 349 E CB 1.709 31.576 29.700 0.279 0.000 1.148 349 E HN 0.651 nan 8.360 nan 0.000 0.412 350 I N 4.609 125.226 120.570 0.078 0.000 2.418 350 I HA 0.338 4.508 4.170 0.000 0.000 0.287 350 I C -0.424 175.707 176.117 0.024 0.000 1.008 350 I CA -0.694 60.604 61.300 -0.003 0.000 1.104 350 I CB 1.746 39.736 38.000 -0.017 0.000 1.264 350 I HN 0.307 nan 8.210 nan 0.000 0.438 351 K N 6.755 127.151 120.400 -0.006 0.000 2.426 351 K HA 0.297 4.617 4.320 0.000 0.000 0.254 351 K C -0.290 176.308 176.600 -0.004 0.000 0.936 351 K CA -0.785 55.527 56.287 0.042 0.000 0.801 351 K CB 1.483 34.076 32.500 0.155 0.000 1.139 351 K HN 0.498 nan 8.250 nan 0.000 0.424 352 K N 2.078 122.482 120.400 0.007 0.000 3.777 352 K HA -0.165 4.156 4.320 0.000 0.000 0.276 352 K C -1.535 175.054 176.600 -0.018 0.000 0.877 352 K CA 0.763 57.050 56.287 -0.001 0.000 0.724 352 K CB -1.053 31.453 32.500 0.010 0.000 1.589 352 K HN 0.603 nan 8.250 nan 0.000 0.444 353 S N -0.071 115.613 115.700 -0.027 0.000 2.564 353 S HA 0.421 4.892 4.470 0.000 0.000 0.274 353 S C -0.661 173.923 174.600 -0.027 0.000 1.124 353 S CA -0.576 57.602 58.200 -0.037 0.000 0.869 353 S CB 2.063 65.222 63.200 -0.069 0.000 1.105 353 S HN 0.398 nan 8.310 nan 0.000 0.472 354 T N -0.859 113.681 114.554 -0.023 0.000 2.824 354 T HA 0.777 5.127 4.350 0.000 0.000 0.280 354 T C -0.702 173.985 174.700 -0.022 0.000 0.995 354 T CA -0.691 61.398 62.100 -0.019 0.000 1.009 354 T CB 0.964 69.825 68.868 -0.012 0.000 0.955 354 T HN 0.331 nan 8.240 nan 0.000 0.452 355 V N 2.516 122.417 119.914 -0.021 0.000 2.525 355 V HA 0.701 4.821 4.120 0.000 0.000 0.299 355 V C 0.924 177.009 176.094 -0.015 0.000 1.034 355 V CA -0.811 61.477 62.300 -0.020 0.000 0.863 355 V CB 1.471 33.279 31.823 -0.024 0.000 0.999 355 V HN 1.260 nan 8.190 nan 0.000 0.423 356 G N 2.573 111.367 108.800 -0.010 0.000 2.580 356 G HA2 0.364 4.324 3.960 0.000 0.000 0.278 356 G HA3 0.364 4.324 3.960 0.000 0.000 0.278 356 G C -0.186 174.712 174.900 -0.004 0.000 1.212 356 G CA -0.596 44.500 45.100 -0.006 0.000 0.939 356 G HN 0.741 nan 8.290 nan 0.000 0.513 357 K N -0.388 120.009 120.400 -0.003 0.000 2.484 357 K HA 0.303 4.623 4.320 0.000 0.000 0.280 357 K C 1.380 177.985 176.600 0.009 0.000 1.013 357 K CA 1.122 57.407 56.287 -0.004 0.000 1.029 357 K CB -0.094 32.404 32.500 -0.003 0.000 0.902 357 K HN 1.149 nan 8.250 nan 0.000 0.481 358 G N 2.241 111.048 108.800 0.012 0.000 2.234 358 G HA2 -0.278 3.683 3.960 0.000 0.000 0.260 358 G HA3 -0.278 3.683 3.960 0.000 0.000 0.260 358 G C 0.041 174.991 174.900 0.082 0.000 0.987 358 G CA 0.397 45.528 45.100 0.051 0.000 0.625 358 G HN 0.640 nan 8.290 nan 0.000 0.532 359 S N 0.893 116.623 115.700 0.050 0.000 2.572 359 S HA 0.508 4.978 4.470 0.000 0.000 0.279 359 S C 0.352 174.998 174.600 0.076 0.000 1.341 359 S CA 0.622 58.851 58.200 0.047 0.000 1.043 359 S CB 0.992 64.202 63.200 0.016 0.000 0.887 359 S HN 0.812 nan 8.310 nan 0.000 0.516 360 K N -0.219 120.214 120.400 0.054 0.000 2.378 360 K HA 0.683 5.003 4.320 0.000 0.000 0.252 360 K C -1.770 174.827 176.600 -0.005 0.000 0.931 360 K CA -0.928 55.391 56.287 0.053 0.000 0.794 360 K CB 1.534 34.048 32.500 0.023 0.000 1.181 360 K HN 0.270 nan 8.250 nan 0.000 0.425 361 V N 2.407 122.314 119.914 -0.012 0.000 2.380 361 V HA 0.187 4.307 4.120 0.000 0.000 0.268 361 V C -0.252 175.801 176.094 -0.069 0.000 1.008 361 V CA -0.670 61.611 62.300 -0.032 0.000 0.823 361 V CB 0.386 32.196 31.823 -0.022 0.000 1.053 361 V HN 0.983 nan 8.190 nan 0.000 0.446 362 N N 1.661 120.266 118.700 -0.158 0.000 2.254 362 N HA 0.233 4.973 4.740 0.000 0.000 0.190 362 N C -0.180 174.961 175.510 -0.614 0.000 1.107 362 N CA 0.025 52.824 53.050 -0.418 0.000 0.869 362 N CB 0.423 38.543 38.487 -0.612 0.000 0.983 362 N HN 0.768 nan 8.380 nan 0.000 0.487 363 H N -0.471 118.618 119.070 0.031 0.000 3.087 363 H HA 0.164 4.721 4.556 0.000 0.000 0.348 363 H C -0.373 175.015 175.328 0.100 0.000 1.092 363 H CA -0.900 55.192 56.048 0.074 0.000 1.285 363 H CB 1.299 31.113 29.762 0.086 0.000 1.875 363 H HN -0.135 nan 8.280 nan 0.000 0.512 364 L N 1.152 122.552 121.223 0.296 0.000 3.601 364 L HA -0.195 4.145 4.340 0.000 0.000 0.469 364 L C -0.724 176.243 176.870 0.161 0.000 1.294 364 L CA 0.758 55.740 54.840 0.236 0.000 0.829 364 L CB -1.523 40.649 42.059 0.189 0.000 1.628 364 L HN 0.785 nan 8.230 nan 0.000 0.868 365 T N -1.062 113.587 114.554 0.159 0.000 2.912 365 T HA 0.525 4.875 4.350 0.000 0.000 0.299 365 T C -1.245 173.559 174.700 0.173 0.000 1.052 365 T CA -0.546 61.631 62.100 0.128 0.000 0.996 365 T CB 2.101 71.018 68.868 0.081 0.000 1.070 365 T HN 0.112 nan 8.240 nan 0.000 0.465 366 Y N 3.053 123.370 120.300 0.029 0.000 2.328 366 Y HA 0.669 5.219 4.550 0.000 0.000 0.336 366 Y C -1.360 174.547 175.900 0.011 0.000 0.960 366 Y CA -1.017 57.096 58.100 0.021 0.000 1.134 366 Y CB 0.898 39.366 38.460 0.014 0.000 1.166 366 Y HN 0.376 nan 8.280 nan 0.000 0.464 367 V N 6.211 125.769 119.914 -0.593 0.000 2.407 367 V HA 0.806 4.926 4.120 0.000 0.000 0.291 367 V C 0.054 175.683 176.094 -0.776 0.000 1.018 367 V CA -0.328 61.627 62.300 -0.575 0.000 0.842 367 V CB 1.320 32.994 31.823 -0.248 0.000 0.996 367 V HN 0.999 nan 8.190 nan 0.000 0.426 368 G N 1.788 110.143 108.800 -0.741 0.000 2.638 368 G HA2 0.597 4.557 3.960 0.000 0.000 0.302 368 G HA3 0.597 4.557 3.960 0.000 0.000 0.302 368 G C -0.675 174.133 174.900 -0.153 0.000 1.365 368 G CA -0.521 44.334 45.100 -0.409 0.000 0.987 368 G HN 0.636 nan 8.290 nan 0.000 0.495 369 D N -0.084 120.278 120.400 -0.064 0.000 2.686 369 D HA -0.149 4.491 4.640 0.000 0.000 0.235 369 D C 0.275 176.562 176.300 -0.022 0.000 1.160 369 D CA 1.687 55.676 54.000 -0.019 0.000 0.645 369 D CB -0.954 39.853 40.800 0.013 0.000 1.039 369 D HN 0.328 nan 8.370 nan 0.000 0.423 370 S N -0.042 115.631 115.700 -0.045 0.000 2.570 370 S HA 0.496 4.966 4.470 0.000 0.000 0.286 370 S C -0.117 174.467 174.600 -0.028 0.000 1.099 370 S CA -0.928 57.249 58.200 -0.039 0.000 0.913 370 S CB 2.698 65.855 63.200 -0.071 0.000 1.085 370 S HN 0.101 nan 8.310 nan 0.000 0.480 371 E N 1.439 121.629 120.200 -0.016 0.000 2.145 371 E HA 0.498 4.848 4.350 0.000 0.000 0.270 371 E C -1.077 175.515 176.600 -0.015 0.000 0.906 371 E CA -0.318 56.075 56.400 -0.013 0.000 0.761 371 E CB 1.538 31.236 29.700 -0.003 0.000 1.116 371 E HN 0.420 nan 8.360 nan 0.000 0.408 372 I N 2.237 122.796 120.570 -0.018 0.000 2.433 372 I HA 0.331 4.502 4.170 0.000 0.000 0.292 372 I C 0.823 176.935 176.117 -0.008 0.000 1.001 372 I CA -0.660 60.631 61.300 -0.016 0.000 1.119 372 I CB 1.837 39.822 38.000 -0.025 0.000 1.289 372 I HN 0.580 nan 8.210 nan 0.000 0.438 373 G N 3.482 112.281 108.800 -0.002 0.000 2.485 373 G HA2 0.331 4.291 3.960 0.000 0.000 0.260 373 G HA3 0.331 4.291 3.960 0.000 0.000 0.260 373 G C -0.122 174.782 174.900 0.006 0.000 1.459 373 G CA -0.337 44.765 45.100 0.003 0.000 1.060 373 G HN 0.645 nan 8.290 nan 0.000 0.546 374 S N -0.900 114.806 115.700 0.010 0.000 2.585 374 S HA 0.297 4.767 4.470 0.000 0.000 0.277 374 S C 0.302 174.916 174.600 0.023 0.000 1.241 374 S CA -0.326 57.883 58.200 0.014 0.000 1.041 374 S CB 1.211 64.419 63.200 0.012 0.000 0.987 374 S HN 0.637 nan 8.310 nan 0.000 0.512 375 N N -0.521 118.196 118.700 0.029 0.000 2.735 375 N HA -0.146 4.594 4.740 0.000 0.000 0.248 375 N C -0.589 174.948 175.510 0.044 0.000 1.083 375 N CA 0.748 53.823 53.050 0.040 0.000 0.703 375 N CB -2.269 36.242 38.487 0.040 0.000 1.005 375 N HN 0.652 nan 8.380 nan 0.000 0.550 376 C N 0.626 119.946 119.300 0.033 0.000 2.382 376 C HA 0.412 4.872 4.460 0.000 0.000 0.363 376 C C 1.161 176.158 174.990 0.012 0.000 1.213 376 C CA -0.735 58.298 59.018 0.025 0.000 2.363 376 C CB 1.345 29.088 27.740 0.005 0.000 2.397 376 C HN 0.388 nan 8.230 nan 0.000 0.573 377 N N 1.965 120.653 118.700 -0.020 0.000 2.569 377 N HA 0.344 5.084 4.740 0.000 0.000 0.254 377 N C -1.215 174.163 175.510 -0.219 0.000 1.004 377 N CA -0.336 52.661 53.050 -0.088 0.000 0.904 377 N CB 0.337 38.800 38.487 -0.039 0.000 1.165 377 N HN 0.438 nan 8.380 nan 0.000 0.513 378 I N 2.304 122.789 120.570 -0.142 0.000 2.301 378 I HA 0.312 4.482 4.170 0.000 0.000 0.292 378 I C 1.503 177.545 176.117 -0.125 0.000 1.046 378 I CA -0.648 60.567 61.300 -0.143 0.000 1.282 378 I CB 0.227 38.181 38.000 -0.077 0.000 1.409 378 I HN 0.370 nan 8.210 nan 0.000 0.484 379 G N 4.604 113.292 108.800 -0.187 0.000 2.606 379 G HA2 0.430 4.390 3.960 0.000 0.000 0.252 379 G HA3 0.430 4.390 3.960 0.000 0.000 0.252 379 G C 0.193 175.099 174.900 0.010 0.000 1.206 379 G CA -0.409 44.623 45.100 -0.113 0.000 0.861 379 G HN 0.808 nan 8.290 nan 0.000 0.561 380 A N -0.755 122.107 122.820 0.069 0.000 2.531 380 A HA 0.504 4.824 4.320 0.000 0.000 0.236 380 A C 1.675 179.279 177.584 0.034 0.000 1.062 380 A CA 1.241 53.328 52.037 0.084 0.000 0.760 380 A CB -0.387 18.557 19.000 -0.093 0.000 0.995 380 A HN 2.628 nan 8.150 nan 0.000 0.501 381 G N 0.714 109.550 108.800 0.059 0.000 2.148 381 G HA2 -0.159 3.802 3.960 0.000 0.000 0.254 381 G HA3 -0.159 3.802 3.960 0.000 0.000 0.254 381 G C 0.232 175.152 174.900 0.033 0.000 0.981 381 G CA 0.165 45.289 45.100 0.041 0.000 0.670 381 G HN 1.368 nan 8.290 nan 0.000 0.528 382 V N 0.983 120.915 119.914 0.030 0.000 2.686 382 V HA 0.575 4.696 4.120 0.000 0.000 0.295 382 V C 0.790 176.907 176.094 0.039 0.000 1.055 382 V CA 0.238 62.546 62.300 0.014 0.000 1.050 382 V CB 1.468 33.282 31.823 -0.016 0.000 0.984 382 V HN 0.318 nan 8.190 nan 0.000 0.482 383 I N 3.534 124.127 120.570 0.038 0.000 2.534 383 I HA 0.316 4.487 4.170 0.000 0.000 0.288 383 I C 0.019 176.164 176.117 0.046 0.000 1.077 383 I CA -0.477 60.873 61.300 0.084 0.000 1.051 383 I CB 2.511 40.571 38.000 0.101 0.000 1.234 383 I HN 0.670 nan 8.210 nan 0.000 0.425 384 T N 2.457 117.027 114.554 0.026 0.000 2.780 384 T HA 0.587 4.937 4.350 0.000 0.000 0.294 384 T C -0.112 174.645 174.700 0.096 0.000 0.949 384 T CA -0.605 61.496 62.100 0.001 0.000 1.074 384 T CB 0.822 69.632 68.868 -0.097 0.000 0.910 384 T HN 0.756 nan 8.240 nan 0.000 0.501 385 C N 2.187 121.511 119.300 0.041 0.000 3.213 385 C HA 0.793 5.254 4.460 0.000 0.000 0.319 385 C C -0.602 174.371 174.990 -0.028 0.000 1.386 385 C CA -1.099 57.939 59.018 0.033 0.000 1.494 385 C CB 1.176 28.911 27.740 -0.007 0.000 1.905 385 C HN 0.910 nan 8.230 nan 0.000 0.456 386 N N -1.036 117.642 118.700 -0.036 0.000 2.381 386 N HA 0.500 5.240 4.740 0.000 0.000 0.294 386 N C -1.431 174.021 175.510 -0.097 0.000 1.216 386 N CA -0.222 52.810 53.050 -0.029 0.000 0.803 386 N CB 1.360 39.869 38.487 0.036 0.000 1.372 386 N HN 0.768 nan 8.380 nan 0.000 0.500 387 Y N 0.074 120.431 120.300 0.095 0.000 2.357 387 Y HA -0.010 4.541 4.550 0.001 0.000 0.340 387 Y C 0.978 176.910 175.900 0.053 0.000 1.260 387 Y CA -0.083 58.062 58.100 0.074 0.000 1.425 387 Y CB 0.373 38.888 38.460 0.091 0.000 1.326 387 Y HN 0.425 nan 8.280 nan 0.000 0.580 388 D N 0.866 121.391 120.400 0.208 0.000 2.367 388 D HA 0.327 4.967 4.640 0.000 0.000 0.255 388 D C 0.154 176.526 176.300 0.119 0.000 1.300 388 D CA 0.634 54.705 54.000 0.118 0.000 0.959 388 D CB -0.254 40.599 40.800 0.087 0.000 1.064 388 D HN 0.707 nan 8.370 nan 0.000 0.509 389 G N 1.767 110.626 108.800 0.098 0.000 3.008 389 G HA2 0.581 4.542 3.960 0.000 0.000 0.148 389 G HA3 0.581 4.542 3.960 0.000 0.000 0.148 389 G C -0.179 174.747 174.900 0.043 0.000 1.184 389 G CA 0.181 45.336 45.100 0.091 0.000 1.087 389 G HN 0.566 nan 8.290 nan 0.000 0.602 390 A N -0.394 122.445 122.820 0.033 0.000 3.469 390 A HA 0.627 4.947 4.320 0.000 0.000 0.198 390 A C 0.833 178.335 177.584 -0.137 0.000 2.008 390 A CA 0.142 52.164 52.037 -0.025 0.000 1.746 390 A CB -0.729 18.276 19.000 0.008 0.000 1.237 390 A HN 0.457 nan 8.150 nan 0.000 0.358 391 N N 0.634 119.183 118.700 -0.252 0.000 2.263 391 N HA 0.233 4.973 4.740 0.000 0.000 0.239 391 N C -0.644 174.437 175.510 -0.715 0.000 1.317 391 N CA 0.332 53.136 53.050 -0.410 0.000 0.909 391 N CB 0.025 38.296 38.487 -0.360 0.000 1.171 391 N HN 0.327 nan 8.380 nan 0.000 0.492 392 K N 0.712 120.778 120.400 -0.557 0.000 2.316 392 K HA 0.319 4.639 4.320 0.000 0.000 0.267 392 K C -0.617 175.781 176.600 -0.338 0.000 1.025 392 K CA -0.189 55.865 56.287 -0.388 0.000 0.896 392 K CB 0.601 33.012 32.500 -0.148 0.000 1.124 392 K HN 0.336 nan 8.250 nan 0.000 0.451 393 F N 1.461 121.441 119.950 0.050 0.000 2.375 393 F HA 0.357 4.885 4.527 0.000 0.000 0.317 393 F C 0.929 176.747 175.800 0.030 0.000 1.124 393 F CA -0.889 57.138 58.000 0.044 0.000 1.050 393 F CB 0.901 39.939 39.000 0.064 0.000 1.314 393 F HN 0.100 nan 8.300 nan 0.000 0.511 394 K N 0.285 120.834 120.400 0.249 0.000 2.130 394 K HA 0.416 4.737 4.320 0.000 0.000 0.268 394 K C -0.950 175.700 176.600 0.085 0.000 0.983 394 K CA -0.644 55.715 56.287 0.120 0.000 0.893 394 K CB 1.635 34.190 32.500 0.092 0.000 1.066 394 K HN 0.504 nan 8.250 nan 0.000 0.450 395 T N 3.314 117.893 114.554 0.042 0.000 2.771 395 T HA 0.395 4.746 4.350 0.000 0.000 0.281 395 T C -0.248 174.458 174.700 0.009 0.000 0.982 395 T CA -0.650 61.463 62.100 0.021 0.000 0.978 395 T CB 0.477 69.343 68.868 -0.003 0.000 0.930 395 T HN 0.254 nan 8.240 nan 0.000 0.447 396 I N 4.649 125.226 120.570 0.012 0.000 2.362 396 I HA 0.477 4.647 4.170 0.000 0.000 0.289 396 I C -0.185 175.935 176.117 0.005 0.000 0.994 396 I CA -0.830 60.474 61.300 0.007 0.000 1.158 396 I CB 1.129 39.135 38.000 0.011 0.000 1.315 396 I HN 0.592 nan 8.210 nan 0.000 0.451 397 I N 4.836 125.406 120.570 0.000 0.000 2.436 397 I HA 0.475 4.645 4.170 0.000 0.000 0.289 397 I C 0.963 177.083 176.117 0.005 0.000 1.010 397 I CA -0.390 60.911 61.300 0.002 0.000 1.098 397 I CB 2.180 40.177 38.000 -0.006 0.000 1.266 397 I HN 0.663 nan 8.210 nan 0.000 0.434 398 G N 4.466 113.272 108.800 0.011 0.000 2.485 398 G HA2 0.155 4.115 3.960 0.000 0.000 0.260 398 G HA3 0.155 4.115 3.960 0.000 0.000 0.260 398 G C -0.418 174.491 174.900 0.015 0.000 1.459 398 G CA -0.341 44.767 45.100 0.012 0.000 1.060 398 G HN 0.517 nan 8.290 nan 0.000 0.546 399 D N 0.236 120.647 120.400 0.017 0.000 2.283 399 D HA 0.247 4.888 4.640 0.000 0.000 0.248 399 D C -0.027 176.291 176.300 0.030 0.000 1.072 399 D CA -0.051 53.961 54.000 0.021 0.000 0.929 399 D CB 0.919 41.730 40.800 0.018 0.000 1.182 399 D HN 0.415 nan 8.370 nan 0.000 0.433 400 D N -0.353 120.068 120.400 0.036 0.000 2.772 400 D HA -0.146 4.494 4.640 0.000 0.000 0.233 400 D C -0.510 175.832 176.300 0.069 0.000 1.143 400 D CA 0.445 54.476 54.000 0.051 0.000 0.700 400 D CB -1.111 39.714 40.800 0.042 0.000 1.076 400 D HN 0.050 nan 8.370 nan 0.000 0.430 401 V N 0.762 120.716 119.914 0.067 0.000 2.481 401 V HA 0.410 4.531 4.120 0.000 0.000 0.286 401 V C 0.265 176.435 176.094 0.127 0.000 1.042 401 V CA -0.676 61.676 62.300 0.087 0.000 0.928 401 V CB 1.494 33.347 31.823 0.051 0.000 0.986 401 V HN 0.138 nan 8.190 nan 0.000 0.462 402 F N 5.183 125.140 119.950 0.012 0.000 2.404 402 F HA 0.637 5.164 4.527 0.000 0.000 0.354 402 F C -0.245 175.563 175.800 0.014 0.000 1.122 402 F CA -0.426 57.583 58.000 0.014 0.000 1.080 402 F CB 1.284 40.292 39.000 0.013 0.000 1.131 402 F HN 0.251 nan 8.300 nan 0.000 0.471 403 V N 6.702 126.394 119.914 -0.370 0.000 2.313 403 V HA 0.452 4.572 4.120 0.000 0.000 0.278 403 V C 0.689 176.526 176.094 -0.428 0.000 1.017 403 V CA -0.745 61.414 62.300 -0.234 0.000 0.823 403 V CB 0.786 32.525 31.823 -0.141 0.000 1.010 403 V HN 0.966 nan 8.190 nan 0.000 0.443 404 G N 3.459 112.163 108.800 -0.160 0.000 2.594 404 G HA2 0.337 4.298 3.960 0.000 0.000 0.243 404 G HA3 0.337 4.298 3.960 0.000 0.000 0.243 404 G C 0.503 175.368 174.900 -0.058 0.000 1.229 404 G CA 0.142 45.216 45.100 -0.044 0.000 0.843 404 G HN 0.951 nan 8.290 nan 0.000 0.578 405 S N -0.228 115.456 115.700 -0.028 0.000 2.563 405 S HA 0.112 4.582 4.470 0.000 0.000 0.284 405 S C 0.560 175.158 174.600 -0.003 0.000 1.331 405 S CA 0.699 58.886 58.200 -0.022 0.000 1.047 405 S CB 0.841 64.034 63.200 -0.012 0.000 0.859 405 S HN 0.896 nan 8.310 nan 0.000 0.514 406 D N -0.020 120.378 120.400 -0.004 0.000 2.945 406 D HA -0.147 4.494 4.640 0.000 0.000 0.225 406 D C -0.499 175.803 176.300 0.004 0.000 1.158 406 D CA 1.460 55.462 54.000 0.003 0.000 0.805 406 D CB -1.652 39.150 40.800 0.003 0.000 1.098 406 D HN 0.734 nan 8.370 nan 0.000 0.426 407 T N 1.402 115.956 114.554 -0.001 0.000 2.869 407 T HA 0.299 4.649 4.350 0.000 0.000 0.295 407 T C 0.040 174.739 174.700 -0.001 0.000 0.987 407 T CA -0.479 61.621 62.100 0.001 0.000 1.109 407 T CB 1.267 70.133 68.868 -0.004 0.000 0.932 407 T HN -0.023 nan 8.240 nan 0.000 0.518 408 Q N 3.280 123.079 119.800 -0.002 0.000 2.340 408 Q HA 0.395 4.736 4.340 0.000 0.000 0.259 408 Q C -0.688 175.303 176.000 -0.015 0.000 0.964 408 Q CA -0.318 55.481 55.803 -0.008 0.000 0.900 408 Q CB 1.586 30.315 28.738 -0.014 0.000 1.228 408 Q HN 0.577 nan 8.270 nan 0.000 0.449 409 L N 2.457 123.670 121.223 -0.017 0.000 2.257 409 L HA 0.389 4.729 4.340 0.000 0.000 0.290 409 L C -0.221 176.628 176.870 -0.036 0.000 1.044 409 L CA -0.854 53.974 54.840 -0.019 0.000 0.810 409 L CB 1.197 43.245 42.059 -0.017 0.000 1.193 409 L HN 0.215 nan 8.230 nan 0.000 0.425 410 V N 3.605 123.486 119.914 -0.054 0.000 2.304 410 V HA 0.408 4.529 4.120 0.000 0.000 0.269 410 V C 0.780 176.847 176.094 -0.046 0.000 1.036 410 V CA -0.630 61.590 62.300 -0.133 0.000 0.840 410 V CB 0.964 32.625 31.823 -0.271 0.000 1.036 410 V HN 0.849 nan 8.190 nan 0.000 0.466 411 A N 8.464 131.288 122.820 0.007 0.000 2.445 411 A HA 0.573 4.893 4.320 0.000 0.000 0.242 411 A C -2.044 175.685 177.584 0.241 0.000 1.075 411 A CA -0.926 51.181 52.037 0.117 0.000 0.777 411 A CB -0.038 19.051 19.000 0.147 0.000 1.013 411 A HN 0.621 nan 8.150 nan 0.000 0.493 412 P HA 0.440 nan 4.420 nan 0.000 0.285 412 P C -0.812 176.532 177.300 0.072 0.000 1.259 412 P CA -0.048 63.116 63.100 0.107 0.000 0.794 412 P CB 1.427 33.107 31.700 -0.033 0.000 0.940 413 V N 3.434 123.380 119.914 0.053 0.000 3.098 413 V HA 0.404 4.524 4.120 0.000 0.000 0.294 413 V C -1.516 174.593 176.094 0.025 0.000 1.351 413 V CA -0.793 61.530 62.300 0.038 0.000 0.999 413 V CB 2.677 34.525 31.823 0.041 0.000 1.104 413 V HN 0.483 nan 8.190 nan 0.000 0.438 414 K N 4.095 124.507 120.400 0.020 0.000 2.324 414 K HA 0.807 5.127 4.320 0.000 0.000 0.253 414 K C -1.659 174.951 176.600 0.016 0.000 0.932 414 K CA -0.815 55.481 56.287 0.015 0.000 0.799 414 K CB 2.636 35.143 32.500 0.012 0.000 1.154 414 K HN 0.395 nan 8.250 nan 0.000 0.425 415 V N 2.053 121.976 119.914 0.015 0.000 2.407 415 V HA 0.386 4.506 4.120 0.000 0.000 0.291 415 V C -0.013 176.092 176.094 0.019 0.000 1.018 415 V CA -0.833 61.478 62.300 0.019 0.000 0.842 415 V CB 1.250 33.085 31.823 0.020 0.000 0.996 415 V HN 0.978 nan 8.190 nan 0.000 0.426 416 A N 4.581 127.412 122.820 0.019 0.000 2.259 416 A HA 0.529 4.849 4.320 0.000 0.000 0.278 416 A C 0.467 178.064 177.584 0.022 0.000 1.107 416 A CA -0.526 51.521 52.037 0.018 0.000 0.828 416 A CB 0.102 19.111 19.000 0.015 0.000 1.111 416 A HN 0.784 nan 8.150 nan 0.000 0.498 417 N N -0.022 118.689 118.700 0.019 0.000 2.356 417 N HA 0.242 4.982 4.740 0.000 0.000 0.252 417 N C 1.181 176.707 175.510 0.027 0.000 1.241 417 N CA 1.706 54.770 53.050 0.022 0.000 0.861 417 N CB 0.313 38.811 38.487 0.018 0.000 1.075 417 N HN 1.360 nan 8.380 nan 0.000 0.461 418 G N -0.561 108.259 108.800 0.034 0.000 2.168 418 G HA2 -0.254 3.707 3.960 0.000 0.000 0.263 418 G HA3 -0.254 3.707 3.960 0.000 0.000 0.263 418 G C 0.361 175.288 174.900 0.045 0.000 0.977 418 G CA 0.507 45.630 45.100 0.038 0.000 0.659 418 G HN 0.949 nan 8.290 nan 0.000 0.533 419 A N -0.526 122.323 122.820 0.050 0.000 2.406 419 A HA 0.694 5.014 4.320 0.000 0.000 0.243 419 A C 0.578 178.217 177.584 0.091 0.000 1.082 419 A CA 1.262 53.332 52.037 0.056 0.000 0.786 419 A CB 0.540 19.570 19.000 0.049 0.000 1.029 419 A HN 0.876 nan 8.150 nan 0.000 0.495 420 T N 1.553 116.162 114.554 0.091 0.000 2.881 420 T HA 0.544 4.894 4.350 0.000 0.000 0.291 420 T C -0.623 174.165 174.700 0.146 0.000 0.990 420 T CA 0.062 62.247 62.100 0.142 0.000 0.976 420 T CB 0.574 69.469 68.868 0.047 0.000 0.970 420 T HN 0.439 nan 8.240 nan 0.000 0.438 421 I N 2.334 123.041 120.570 0.228 0.000 2.406 421 I HA 0.527 4.697 4.170 0.000 0.000 0.290 421 I C 1.053 177.302 176.117 0.220 0.000 0.999 421 I CA -0.797 60.600 61.300 0.162 0.000 1.124 421 I CB 1.746 39.806 38.000 0.101 0.000 1.289 421 I HN 0.716 nan 8.210 nan 0.000 0.441 422 G N 3.873 112.760 108.800 0.145 0.000 2.606 422 G HA2 0.523 4.483 3.960 0.000 0.000 0.252 422 G HA3 0.523 4.483 3.960 0.000 0.000 0.252 422 G C 0.002 174.975 174.900 0.121 0.000 1.206 422 G CA -0.406 44.779 45.100 0.141 0.000 0.861 422 G HN 0.778 nan 8.290 nan 0.000 0.561 423 A N -0.843 122.046 122.820 0.116 0.000 2.445 423 A HA 0.555 4.875 4.320 0.000 0.000 0.242 423 A C 1.543 179.155 177.584 0.046 0.000 1.075 423 A CA 0.951 53.034 52.037 0.076 0.000 0.777 423 A CB -0.190 18.854 19.000 0.073 0.000 1.013 423 A HN 2.592 nan 8.150 nan 0.000 0.493 424 G N 1.312 110.130 108.800 0.030 0.000 2.160 424 G HA2 -0.176 3.784 3.960 0.000 0.000 0.251 424 G HA3 -0.176 3.784 3.960 0.000 0.000 0.251 424 G C 0.330 175.241 174.900 0.019 0.000 1.008 424 G CA 0.556 45.667 45.100 0.019 0.000 0.724 424 G HN 1.119 nan 8.290 nan 0.000 0.514 425 T N 0.765 115.333 114.554 0.023 0.000 2.907 425 T HA 0.604 4.955 4.350 0.000 0.000 0.284 425 T C 0.283 174.992 174.700 0.015 0.000 1.004 425 T CA 0.345 62.458 62.100 0.023 0.000 1.063 425 T CB 1.456 70.344 68.868 0.034 0.000 0.992 425 T HN 0.160 nan 8.240 nan 0.000 0.483 426 T N 4.045 118.607 114.554 0.014 0.000 2.788 426 T HA 0.421 4.771 4.350 0.000 0.000 0.296 426 T C -0.280 174.429 174.700 0.014 0.000 1.009 426 T CA -0.559 61.546 62.100 0.008 0.000 0.949 426 T CB 0.144 69.017 68.868 0.007 0.000 0.946 426 T HN 0.296 nan 8.240 nan 0.000 0.453 427 I N 4.787 125.363 120.570 0.009 0.000 2.307 427 I HA 0.252 4.423 4.170 0.000 0.000 0.289 427 I C 1.518 177.648 176.117 0.021 0.000 1.021 427 I CA -0.293 61.017 61.300 0.018 0.000 1.224 427 I CB 0.811 38.821 38.000 0.016 0.000 1.376 427 I HN 0.735 nan 8.210 nan 0.000 0.470 428 T N 3.239 117.820 114.554 0.046 0.000 2.959 428 T HA 0.289 4.639 4.350 0.000 0.000 0.254 428 T C 0.860 175.612 174.700 0.087 0.000 1.003 428 T CA -0.213 61.940 62.100 0.087 0.000 0.950 428 T CB 0.571 69.523 68.868 0.140 0.000 1.090 428 T HN 0.371 nan 8.240 nan 0.000 0.503 429 R N 1.898 122.432 120.500 0.057 0.000 2.604 429 R HA 0.482 4.822 4.340 0.000 0.000 0.287 429 R C -1.267 175.052 176.300 0.032 0.000 0.970 429 R CA -0.836 55.289 56.100 0.042 0.000 0.946 429 R CB 0.806 31.126 30.300 0.034 0.000 1.127 429 R HN 0.190 nan 8.270 nan 0.000 0.473 430 D N 1.281 121.696 120.400 0.025 0.000 2.488 430 D HA 0.044 4.685 4.640 0.000 0.000 0.238 430 D C -0.229 176.083 176.300 0.020 0.000 1.138 430 D CA 0.355 54.367 54.000 0.020 0.000 0.873 430 D CB 0.811 41.619 40.800 0.013 0.000 1.183 430 D HN 0.036 nan 8.370 nan 0.000 0.458 431 V N 2.190 122.117 119.914 0.021 0.000 2.398 431 V HA 0.549 4.670 4.120 0.000 0.000 0.286 431 V C 1.107 177.213 176.094 0.020 0.000 1.026 431 V CA -0.755 61.559 62.300 0.022 0.000 0.868 431 V CB 1.589 33.429 31.823 0.027 0.000 0.982 431 V HN 0.581 nan 8.190 nan 0.000 0.443 432 G N 2.659 111.470 108.800 0.018 0.000 2.580 432 G HA2 0.400 4.361 3.960 0.000 0.000 0.278 432 G HA3 0.400 4.361 3.960 0.000 0.000 0.278 432 G C -0.204 174.707 174.900 0.017 0.000 1.212 432 G CA -0.446 44.663 45.100 0.015 0.000 0.939 432 G HN 0.797 nan 8.290 nan 0.000 0.513 433 E N 0.088 120.297 120.200 0.014 0.000 2.415 433 E HA 0.002 4.352 4.350 0.000 0.000 0.263 433 E C 0.120 176.730 176.600 0.015 0.000 0.995 433 E CA -0.121 56.288 56.400 0.015 0.000 0.915 433 E CB 0.106 29.814 29.700 0.012 0.000 0.951 433 E HN 0.428 nan 8.360 nan 0.000 0.449 434 N N 2.264 120.975 118.700 0.018 0.000 2.714 434 N HA -0.243 4.497 4.740 0.000 0.000 0.250 434 N C -1.047 174.472 175.510 0.015 0.000 1.117 434 N CA 1.305 54.364 53.050 0.016 0.000 0.719 434 N CB -1.082 37.411 38.487 0.011 0.000 1.081 434 N HN 0.700 nan 8.380 nan 0.000 0.557 435 E N 0.431 120.643 120.200 0.020 0.000 2.227 435 E HA 0.342 4.692 4.350 0.000 0.000 0.282 435 E C -0.400 176.215 176.600 0.025 0.000 1.015 435 E CA -0.531 55.881 56.400 0.020 0.000 0.823 435 E CB 0.835 30.547 29.700 0.020 0.000 1.081 435 E HN 0.216 nan 8.360 nan 0.000 0.396 436 L N 5.779 127.014 121.223 0.020 0.000 2.272 436 L HA 0.411 4.752 4.340 0.000 0.000 0.289 436 L C -1.366 175.519 176.870 0.025 0.000 1.032 436 L CA -0.739 54.114 54.840 0.021 0.000 0.810 436 L CB 1.316 43.379 42.059 0.006 0.000 1.205 436 L HN 0.400 nan 8.230 nan 0.000 0.422 437 V N 6.709 126.646 119.914 0.037 0.000 2.407 437 V HA 0.463 4.583 4.120 0.000 0.000 0.291 437 V C 0.045 176.163 176.094 0.041 0.000 1.018 437 V CA -0.522 61.800 62.300 0.036 0.000 0.842 437 V CB 1.560 33.406 31.823 0.039 0.000 0.996 437 V HN 0.666 nan 8.190 nan 0.000 0.426 438 I N 0.800 121.389 120.570 0.031 0.000 2.785 438 I HA 0.724 4.894 4.170 0.000 0.000 0.302 438 I C -0.154 175.979 176.117 0.027 0.000 1.069 438 I CA -0.502 60.818 61.300 0.032 0.000 1.045 438 I CB 2.541 40.556 38.000 0.025 0.000 1.236 438 I HN 0.365 nan 8.210 nan 0.000 0.429 439 T N 3.688 118.258 114.554 0.028 0.000 2.817 439 T HA 0.367 4.717 4.350 0.000 0.000 0.293 439 T C 0.082 174.793 174.700 0.019 0.000 0.964 439 T CA -0.407 61.707 62.100 0.022 0.000 1.085 439 T CB 0.496 69.377 68.868 0.022 0.000 0.921 439 T HN 0.488 nan 8.240 nan 0.000 0.502 440 R N 2.353 122.862 120.500 0.016 0.000 2.248 440 R HA 0.379 4.719 4.340 0.000 0.000 0.337 440 R C 0.200 176.508 176.300 0.013 0.000 1.106 440 R CA -0.554 55.555 56.100 0.015 0.000 0.959 440 R CB 0.222 30.529 30.300 0.013 0.000 1.075 440 R HN 0.516 nan 8.270 nan 0.000 0.480 441 V N 0.142 120.065 119.914 0.014 0.000 2.686 441 V HA 0.751 4.871 4.120 0.000 0.000 0.295 441 V C 0.290 176.391 176.094 0.011 0.000 1.057 441 V CA -0.993 61.312 62.300 0.009 0.000 1.012 441 V CB 1.540 33.367 31.823 0.007 0.000 1.006 441 V HN 0.686 nan 8.190 nan 0.000 0.477 442 A N 4.002 126.822 122.820 0.001 0.000 2.303 442 A HA 0.758 5.078 4.320 0.000 0.000 0.320 442 A C -0.279 177.292 177.584 -0.021 0.000 1.192 442 A CA -0.692 51.346 52.037 0.002 0.000 0.821 442 A CB 0.950 19.949 19.000 -0.003 0.000 1.188 442 A HN 0.959 nan 8.150 nan 0.000 0.492 443 Q N 0.971 120.760 119.800 -0.018 0.000 2.394 443 Q HA 0.501 4.841 4.340 0.000 0.000 0.273 443 Q C -0.768 175.152 176.000 -0.134 0.000 1.089 443 Q CA -1.015 54.718 55.803 -0.116 0.000 0.812 443 Q CB 2.517 31.150 28.738 -0.175 0.000 1.353 443 Q HN 0.618 nan 8.270 nan 0.000 0.438 444 R N 1.690 122.053 120.500 -0.229 0.000 2.338 444 R HA 0.342 4.682 4.340 0.000 0.000 0.317 444 R C -1.264 174.853 176.300 -0.306 0.000 0.968 444 R CA -0.332 55.668 56.100 -0.167 0.000 0.849 444 R CB 0.765 30.990 30.300 -0.124 0.000 1.128 444 R HN 0.701 nan 8.270 nan 0.000 0.448 445 H N 5.365 124.409 119.070 -0.043 0.000 2.551 445 H HA 0.368 4.924 4.556 0.000 0.000 0.321 445 H C -0.135 175.174 175.328 -0.031 0.000 1.028 445 H CA -0.554 55.472 56.048 -0.037 0.000 1.215 445 H CB 1.690 31.442 29.762 -0.017 0.000 1.414 445 H HN 0.376 nan 8.280 nan 0.000 0.480 446 I N 4.176 124.766 120.570 0.034 0.000 2.355 446 I HA 0.063 4.233 4.170 0.000 0.000 0.288 446 I C 0.005 176.183 176.117 0.102 0.000 0.999 446 I CA -0.755 60.568 61.300 0.039 0.000 1.163 446 I CB 1.295 39.266 38.000 -0.049 0.000 1.316 446 I HN 0.321 nan 8.210 nan 0.000 0.454 447 Q N 3.986 123.852 119.800 0.109 0.000 2.306 447 Q HA 0.342 4.683 4.340 0.000 0.000 0.241 447 Q C 1.013 177.099 176.000 0.142 0.000 0.948 447 Q CA 0.065 55.936 55.803 0.114 0.000 0.886 447 Q CB 1.235 30.019 28.738 0.078 0.000 1.227 447 Q HN 0.946 nan 8.270 nan 0.000 0.457 448 G N 1.125 110.006 108.800 0.134 0.000 2.176 448 G HA2 -0.222 3.738 3.960 0.000 0.000 0.252 448 G HA3 -0.222 3.738 3.960 0.000 0.000 0.252 448 G C -0.496 174.505 174.900 0.168 0.000 1.024 448 G CA 0.041 45.211 45.100 0.116 0.000 0.755 448 G HN 0.636 nan 8.290 nan 0.000 0.507 449 W N 1.562 122.869 121.300 0.011 0.000 2.416 449 W HA 0.510 5.170 4.660 0.001 0.000 0.318 449 W C -0.181 176.341 176.519 0.006 0.000 1.150 449 W CA -0.587 56.762 57.345 0.007 0.000 1.392 449 W CB 0.704 30.168 29.460 0.007 0.000 1.311 449 W HN 0.122 nan 8.180 nan 0.000 0.436 450 Q N 5.901 125.433 119.800 -0.448 0.000 2.294 450 Q HA 0.230 4.570 4.340 0.000 0.000 0.257 450 Q C 0.268 175.957 176.000 -0.518 0.000 0.955 450 Q CA -0.171 55.419 55.803 -0.355 0.000 0.936 450 Q CB 1.407 29.985 28.738 -0.267 0.000 1.188 450 Q HN 0.460 nan 8.270 nan 0.000 0.420 451 R N 2.825 123.178 120.500 -0.245 0.000 2.594 451 R HA 0.159 4.499 4.340 0.000 0.000 0.272 451 R C -1.868 174.350 176.300 -0.137 0.000 1.074 451 R CA -1.556 54.459 56.100 -0.142 0.000 1.105 451 R CB -0.159 30.139 30.300 -0.003 0.000 1.008 451 R HN 0.268 nan 8.270 nan 0.000 0.472 452 P HA -0.072 nan 4.420 nan 0.000 0.245 452 P C 0.377 177.649 177.300 -0.047 0.000 1.347 452 P CA 0.397 63.454 63.100 -0.073 0.000 1.314 452 P CB -0.310 31.368 31.700 -0.037 0.000 1.679 453 I N 0.000 120.537 120.570 -0.056 0.000 2.984 453 I HA 0.000 4.170 4.170 0.000 0.000 0.288 453 I CA 0.000 61.278 61.300 -0.037 0.000 1.566 453 I CB 0.000 37.980 38.000 -0.033 0.000 1.214 453 I HN 0.000 nan 8.210 nan 0.000 0.494