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 2rjt_1_A DATA FIRST_RESID 2 DATA SEQUENCE KLNRVVVTGY GVTSPIGNTP AEFWNSLATG KIGIGGITKF DHSDFDVHNA DATA SEQUENCE AEIQDFPFDK YFVKKDTNRF DNYSLYALYA AQEAVNHANL DVAALNRDRF DATA SEQUENCE GVIVASGIGG IKEIEDQVLR LHEKGPKRVK PMTLPKALPN MASGNVAMRF DATA SEQUENCE GANGVCKSIN TACSSSNDAI GDAFRSIKFG FQDVMLVGGT EASITPFAIA DATA SEQUENCE GFQALTALST TEDPTRASIP FDKDRNGFVM GEGSGMLVLE SLEHAEKRGA DATA SEQUENCE TILAEVVGYG NTCDAYHMTS PHPEGQGAIK AIKLALEEAE ISPEQVAYVN DATA SEQUENCE AHGTSTPANE KGESGAIVAV LGKAVPVSST KSFTGHLLGA AGAVEAIVTI DATA SEQUENCE EAMRHNFVPM TAGTSEVSDY IEANVVYGQG LAKEIPYAIS NTFGFGGHNA DATA SEQUENCE VLAFKRWA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.526 176.600 -0.124 0.000 0.988 2 K CA 0.000 56.244 56.287 -0.071 0.000 0.838 2 K CB 0.000 32.467 32.500 -0.055 0.000 1.064 3 L N 2.051 123.175 121.223 -0.164 0.000 2.417 3 L HA 0.287 4.628 4.340 0.001 0.000 0.268 3 L C 0.214 176.976 176.870 -0.181 0.000 1.158 3 L CA -0.481 54.196 54.840 -0.272 0.000 0.819 3 L CB 0.405 42.262 42.059 -0.337 0.000 1.112 3 L HN 0.416 nan 8.230 nan 0.000 0.458 4 N N 1.268 119.849 118.700 -0.198 0.000 2.456 4 N HA 0.429 5.170 4.740 0.001 0.000 0.296 4 N C -0.755 174.721 175.510 -0.057 0.000 1.102 4 N CA -0.765 52.225 53.050 -0.100 0.000 0.924 4 N CB 1.217 39.654 38.487 -0.082 0.000 1.186 4 N HN 0.420 nan 8.380 nan 0.000 0.492 5 R N 0.375 120.885 120.500 0.018 0.000 2.531 5 R HA 0.527 4.868 4.340 0.001 0.000 0.273 5 R C -0.863 175.494 176.300 0.095 0.000 1.070 5 R CA -0.560 55.596 56.100 0.093 0.000 1.112 5 R CB 0.802 31.184 30.300 0.137 0.000 1.049 5 R HN 0.229 nan 8.270 nan 0.000 0.508 6 V N 3.566 123.583 119.914 0.170 0.000 2.444 6 V HA 0.360 4.481 4.120 0.001 0.000 0.294 6 V C -0.272 175.891 176.094 0.115 0.000 1.022 6 V CA -0.731 61.666 62.300 0.162 0.000 0.850 6 V CB 1.617 33.641 31.823 0.336 0.000 0.992 6 V HN 0.592 nan 8.190 nan 0.000 0.426 7 V N 3.003 122.924 119.914 0.011 0.000 2.960 7 V HA 0.805 4.926 4.120 0.001 0.000 0.315 7 V C -0.477 175.579 176.094 -0.064 0.000 1.087 7 V CA -0.869 61.380 62.300 -0.085 0.000 0.982 7 V CB 2.110 33.735 31.823 -0.330 0.000 1.039 7 V HN 0.453 nan 8.190 nan 0.000 0.437 8 V N 2.977 122.853 119.914 -0.063 0.000 2.370 8 V HA 0.441 4.562 4.120 0.001 0.000 0.279 8 V C 1.244 177.267 176.094 -0.119 0.000 1.029 8 V CA 0.546 62.836 62.300 -0.018 0.000 0.870 8 V CB 1.007 32.883 31.823 0.088 0.000 0.984 8 V HN 1.172 nan 8.190 nan 0.000 0.451 9 T N 0.151 114.617 114.554 -0.147 0.000 3.010 9 T HA 0.518 4.869 4.350 0.001 0.000 0.257 9 T C 0.602 175.075 174.700 -0.378 0.000 1.020 9 T CA 0.371 62.321 62.100 -0.250 0.000 0.938 9 T CB 0.583 69.324 68.868 -0.211 0.000 1.049 9 T HN 1.100 nan 8.240 nan 0.000 0.522 10 G N 0.600 109.216 108.800 -0.306 0.000 2.489 10 G HA2 0.525 4.486 3.960 0.001 0.000 0.291 10 G HA3 0.525 4.486 3.960 0.001 0.000 0.291 10 G C -2.108 172.755 174.900 -0.062 0.000 1.487 10 G CA -0.981 43.826 45.100 -0.488 0.000 0.795 10 G HN 0.484 nan 8.290 nan 0.000 0.513 11 Y N -1.769 118.679 120.300 0.246 0.000 2.624 11 Y HA 0.860 5.411 4.550 0.001 0.000 0.334 11 Y C 0.064 175.997 175.900 0.055 0.000 1.155 11 Y CA -1.248 56.911 58.100 0.100 0.000 1.046 11 Y CB 1.244 39.728 38.460 0.039 0.000 1.316 11 Y HN 1.185 nan 8.280 nan 0.000 0.457 12 G N 0.214 109.117 108.800 0.172 0.000 2.619 12 G HA2 0.666 4.627 3.960 0.001 0.000 0.296 12 G HA3 0.666 4.627 3.960 0.001 0.000 0.296 12 G C -2.168 172.770 174.900 0.065 0.000 1.334 12 G CA -1.183 43.948 45.100 0.052 0.000 0.934 12 G HN 1.221 nan 8.290 nan 0.000 0.476 13 V N -0.356 119.605 119.914 0.079 0.000 3.048 13 V HA 0.848 4.969 4.120 0.001 0.000 0.303 13 V C -1.106 175.136 176.094 0.248 0.000 1.214 13 V CA -0.352 61.985 62.300 0.062 0.000 0.984 13 V CB 2.345 34.024 31.823 -0.240 0.000 1.054 13 V HN 1.074 nan 8.190 nan 0.000 0.430 14 T N 3.897 118.586 114.554 0.225 0.000 2.841 14 T HA 0.828 5.179 4.350 0.001 0.000 0.285 14 T C -0.692 174.029 174.700 0.035 0.000 0.991 14 T CA 0.408 62.613 62.100 0.176 0.000 0.966 14 T CB 0.969 69.960 68.868 0.203 0.000 0.962 14 T HN 1.728 nan 8.240 nan 0.000 0.438 15 S N 4.205 119.947 115.700 0.069 0.000 2.643 15 S HA 0.615 5.086 4.470 0.001 0.000 0.270 15 S C -2.751 171.914 174.600 0.108 0.000 1.166 15 S CA -1.112 57.151 58.200 0.105 0.000 0.815 15 S CB 1.359 64.729 63.200 0.283 0.000 1.139 15 S HN 0.389 nan 8.310 nan 0.000 0.472 16 P HA 0.193 nan 4.420 nan 0.000 0.234 16 P C 0.942 178.304 177.300 0.103 0.000 1.167 16 P CA 0.497 63.651 63.100 0.091 0.000 0.763 16 P CB -0.331 31.421 31.700 0.086 0.000 0.835 17 I N -6.214 114.440 120.570 0.141 0.000 4.081 17 I HA 0.594 4.765 4.170 0.001 0.000 0.333 17 I C 0.315 176.513 176.117 0.136 0.000 1.413 17 I CA -0.374 60.981 61.300 0.091 0.000 1.110 17 I CB 0.586 38.572 38.000 -0.023 0.000 1.082 17 I HN -0.162 nan 8.210 nan 0.000 0.402 18 G N 1.367 110.293 108.800 0.209 0.000 2.352 18 G HA2 0.021 3.982 3.960 0.001 0.000 0.303 18 G HA3 0.021 3.982 3.960 0.001 0.000 0.303 18 G C -1.116 173.923 174.900 0.232 0.000 1.593 18 G CA -0.639 44.591 45.100 0.217 0.000 0.963 18 G HN 0.051 nan 8.290 nan 0.000 0.685 19 N N 0.015 118.823 118.700 0.180 0.000 2.235 19 N HA 0.229 4.970 4.740 0.001 0.000 0.231 19 N C 0.308 175.971 175.510 0.254 0.000 1.177 19 N CA 0.720 53.894 53.050 0.206 0.000 0.874 19 N CB 1.523 40.066 38.487 0.094 0.000 1.097 19 N HN 1.038 nan 8.380 nan 0.000 0.518 20 T N -3.871 110.795 114.554 0.186 0.000 2.894 20 T HA 0.395 4.746 4.350 0.001 0.000 0.309 20 T C -2.568 172.223 174.700 0.151 0.000 1.208 20 T CA -1.487 60.687 62.100 0.124 0.000 1.016 20 T CB 2.922 71.840 68.868 0.083 0.000 1.192 20 T HN -0.378 nan 8.240 nan 0.000 0.491 21 P HA 0.007 nan 4.420 nan 0.000 0.217 21 P C 1.696 179.178 177.300 0.303 0.000 1.150 21 P CA 1.558 64.796 63.100 0.229 0.000 0.832 21 P CB -0.191 31.629 31.700 0.199 0.000 0.787 22 A N 0.166 123.098 122.820 0.185 0.000 1.877 22 A HA -0.249 4.072 4.320 0.001 0.000 0.216 22 A C 2.111 179.822 177.584 0.212 0.000 1.186 22 A CA 1.755 53.912 52.037 0.199 0.000 0.620 22 A CB -1.182 17.885 19.000 0.112 0.000 0.822 22 A HN 0.200 nan 8.150 nan 0.000 0.443 23 E N -1.431 118.876 120.200 0.178 0.000 2.051 23 E HA -0.175 4.176 4.350 0.001 0.000 0.192 23 E C 1.837 178.536 176.600 0.164 0.000 0.991 23 E CA 1.277 57.764 56.400 0.144 0.000 0.799 23 E CB -0.326 29.454 29.700 0.133 0.000 0.748 23 E HN 0.675 nan 8.360 nan 0.000 0.449 24 F N 1.419 121.411 119.950 0.071 0.000 2.069 24 F HA -0.232 4.296 4.527 0.002 0.000 0.298 24 F C 2.189 177.986 175.800 -0.006 0.000 1.113 24 F CA 1.636 59.662 58.000 0.043 0.000 1.214 24 F CB -0.244 38.813 39.000 0.094 0.000 0.978 24 F HN 0.155 nan 8.300 nan 0.000 0.474 25 W N 1.313 122.653 121.300 0.066 0.000 2.358 25 W HA -0.287 4.374 4.660 0.002 0.000 0.303 25 W C 2.121 178.510 176.519 -0.217 0.000 1.208 25 W CA 1.831 59.094 57.345 -0.137 0.000 1.274 25 W CB -0.897 28.496 29.460 -0.112 0.000 1.138 25 W HN 0.199 nan 8.180 nan 0.000 0.515 26 N N 0.238 118.867 118.700 -0.120 0.000 2.104 26 N HA -0.179 4.562 4.740 0.001 0.000 0.190 26 N C 1.880 177.218 175.510 -0.286 0.000 1.024 26 N CA 2.633 55.572 53.050 -0.186 0.000 0.853 26 N CB -0.568 37.903 38.487 -0.027 0.000 1.008 26 N HN -0.117 nan 8.380 nan 0.000 0.424 27 S N 0.012 115.555 115.700 -0.260 0.000 2.368 27 S HA -0.054 4.417 4.470 0.001 0.000 0.225 27 S C 1.881 176.243 174.600 -0.397 0.000 1.030 27 S CA 0.918 58.979 58.200 -0.231 0.000 0.999 27 S CB -0.347 62.740 63.200 -0.189 0.000 0.844 27 S HN 0.314 nan 8.310 nan 0.000 0.459 28 L N 1.044 121.784 121.223 -0.805 0.000 2.017 28 L HA -0.127 4.214 4.340 0.001 0.000 0.208 28 L C 2.795 179.205 176.870 -0.767 0.000 1.073 28 L CA 1.304 55.441 54.840 -1.172 0.000 0.745 28 L CB -0.719 40.537 42.059 -1.339 0.000 0.894 28 L HN 0.328 nan 8.230 nan 0.000 0.432 29 A N -0.190 122.086 122.820 -0.907 0.000 2.019 29 A HA -0.167 4.154 4.320 0.001 0.000 0.219 29 A C 2.207 179.612 177.584 -0.298 0.000 1.164 29 A CA 2.014 53.653 52.037 -0.664 0.000 0.644 29 A CB -0.728 17.821 19.000 -0.751 0.000 0.805 29 A HN 0.533 nan 8.150 nan 0.000 0.449 30 T N -4.818 109.607 114.554 -0.215 0.000 3.069 30 T HA 0.418 4.769 4.350 0.001 0.000 0.252 30 T C 1.224 175.930 174.700 0.010 0.000 1.053 30 T CA 0.965 63.014 62.100 -0.085 0.000 0.964 30 T CB 0.038 68.860 68.868 -0.078 0.000 1.005 30 T HN 1.645 nan 8.240 nan 0.000 0.532 31 G N 1.693 110.566 108.800 0.121 0.000 2.198 31 G HA2 -0.270 3.691 3.960 0.001 0.000 0.260 31 G HA3 -0.270 3.691 3.960 0.001 0.000 0.260 31 G C -0.176 174.810 174.900 0.143 0.000 1.025 31 G CA 0.029 45.262 45.100 0.222 0.000 0.769 31 G HN 0.632 nan 8.290 nan 0.000 0.507 32 K N 0.743 121.261 120.400 0.197 0.000 2.263 32 K HA 0.521 4.842 4.320 0.001 0.000 0.282 32 K C 1.345 178.044 176.600 0.166 0.000 1.089 32 K CA -0.517 55.828 56.287 0.097 0.000 0.907 32 K CB 0.722 33.250 32.500 0.047 0.000 1.148 32 K HN 0.598 nan 8.250 nan 0.000 0.470 33 I N -1.473 119.105 120.570 0.014 0.000 2.886 33 I HA 0.361 4.532 4.170 0.001 0.000 0.299 33 I C 0.828 176.973 176.117 0.046 0.000 1.044 33 I CA -0.291 61.010 61.300 0.002 0.000 1.310 33 I CB 1.260 39.148 38.000 -0.187 0.000 1.441 33 I HN 0.562 nan 8.210 nan 0.000 0.578 34 G N 4.496 113.337 108.800 0.067 0.000 3.277 34 G HA2 0.328 4.289 3.960 0.001 0.000 0.243 34 G HA3 0.328 4.289 3.960 0.001 0.000 0.243 34 G C 0.330 175.250 174.900 0.033 0.000 1.107 34 G CA -0.248 44.887 45.100 0.057 0.000 0.771 34 G HN 0.508 nan 8.290 nan 0.000 0.544 35 I N 1.358 121.934 120.570 0.011 0.000 2.395 35 I HA 0.577 4.748 4.170 0.001 0.000 0.289 35 I C 0.819 176.926 176.117 -0.017 0.000 1.023 35 I CA -0.017 61.282 61.300 -0.003 0.000 1.350 35 I CB 1.641 39.633 38.000 -0.014 0.000 1.409 35 I HN 0.087 nan 8.210 nan 0.000 0.507 36 G N 3.324 112.110 108.800 -0.024 0.000 2.663 36 G HA2 0.556 4.517 3.960 0.001 0.000 0.299 36 G HA3 0.556 4.517 3.960 0.001 0.000 0.299 36 G C -0.688 174.176 174.900 -0.059 0.000 1.372 36 G CA -0.644 44.437 45.100 -0.032 0.000 0.781 36 G HN 0.764 nan 8.290 nan 0.000 0.491 37 G N -0.880 107.884 108.800 -0.059 0.000 2.491 37 G HA2 0.424 4.385 3.960 0.001 0.000 0.238 37 G HA3 0.424 4.385 3.960 0.001 0.000 0.238 37 G C 0.252 175.049 174.900 -0.172 0.000 1.277 37 G CA -0.363 44.675 45.100 -0.103 0.000 0.851 37 G HN 0.609 nan 8.290 nan 0.000 0.573 38 I N 1.101 121.439 120.570 -0.386 0.000 2.618 38 I HA 0.084 4.255 4.170 0.001 0.000 0.284 38 I C 1.684 177.658 176.117 -0.239 0.000 1.146 38 I CA 0.478 61.504 61.300 -0.456 0.000 1.425 38 I CB 1.319 38.775 38.000 -0.906 0.000 1.383 38 I HN 0.709 nan 8.210 nan 0.000 0.562 39 T N 0.815 115.279 114.554 -0.150 0.000 2.975 39 T HA 0.147 4.498 4.350 0.001 0.000 0.261 39 T C 1.334 176.010 174.700 -0.041 0.000 0.984 39 T CA -0.345 61.723 62.100 -0.053 0.000 0.911 39 T CB 0.111 68.973 68.868 -0.010 0.000 1.127 39 T HN 0.466 nan 8.240 nan 0.000 0.514 40 K N 0.771 121.135 120.400 -0.060 0.000 2.283 40 K HA 0.204 4.525 4.320 0.001 0.000 0.202 40 K C 0.044 176.760 176.600 0.193 0.000 1.048 40 K CA 0.815 57.150 56.287 0.080 0.000 0.948 40 K CB -0.071 32.527 32.500 0.163 0.000 0.742 40 K HN 0.679 nan 8.250 nan 0.000 0.458 41 F N -2.412 117.564 119.950 0.043 0.000 2.741 41 F HA 0.295 4.823 4.527 0.001 0.000 0.313 41 F C -1.319 174.523 175.800 0.071 0.000 1.153 41 F CA -1.969 56.053 58.000 0.036 0.000 0.931 41 F CB 0.621 39.620 39.000 -0.001 0.000 1.335 41 F HN -0.333 nan 8.300 nan 0.000 0.460 42 D N 0.945 121.497 120.400 0.254 0.000 2.344 42 D HA 0.129 4.769 4.640 0.001 0.000 0.253 42 D C 0.290 176.709 176.300 0.198 0.000 1.255 42 D CA 0.193 54.258 54.000 0.108 0.000 0.894 42 D CB 0.148 41.026 40.800 0.130 0.000 1.067 42 D HN 0.756 nan 8.370 nan 0.000 0.492 43 H N 0.372 119.425 119.070 -0.029 0.000 2.505 43 H HA 0.205 4.762 4.556 0.001 0.000 0.289 43 H C 1.579 177.133 175.328 0.376 0.000 1.052 43 H CA 0.198 56.253 56.048 0.012 0.000 1.156 43 H CB 0.116 29.676 29.762 -0.337 0.000 1.507 43 H HN 0.219 nan 8.280 nan 0.000 0.548 44 S N 0.028 115.777 115.700 0.081 0.000 2.400 44 S HA -0.224 4.247 4.470 0.001 0.000 0.232 44 S C 1.148 175.907 174.600 0.266 0.000 1.025 44 S CA 1.453 59.714 58.200 0.102 0.000 0.993 44 S CB -0.131 63.063 63.200 -0.011 0.000 0.808 44 S HN 0.416 nan 8.310 nan 0.000 0.478 45 D N 0.221 120.829 120.400 0.348 0.000 2.339 45 D HA 0.326 4.967 4.640 0.001 0.000 0.217 45 D C -0.232 176.167 176.300 0.166 0.000 1.050 45 D CA 0.063 54.188 54.000 0.207 0.000 0.856 45 D CB -0.101 40.749 40.800 0.084 0.000 0.922 45 D HN 0.353 nan 8.370 nan 0.000 0.518 46 F N 0.629 120.681 119.950 0.170 0.000 2.375 46 F HA 0.209 4.736 4.527 0.001 0.000 0.317 46 F C 1.602 177.381 175.800 -0.035 0.000 1.124 46 F CA -0.761 57.275 58.000 0.060 0.000 1.050 46 F CB 0.792 39.823 39.000 0.051 0.000 1.314 46 F HN -0.312 nan 8.300 nan 0.000 0.511 47 D N -0.226 120.206 120.400 0.054 0.000 2.379 47 D HA 0.128 4.768 4.640 0.001 0.000 0.208 47 D C -0.373 175.788 176.300 -0.231 0.000 1.065 47 D CA 0.708 54.697 54.000 -0.017 0.000 0.848 47 D CB 0.501 41.308 40.800 0.011 0.000 0.949 47 D HN -0.025 nan 8.370 nan 0.000 0.509 48 V N 1.446 121.159 119.914 -0.334 0.000 2.448 48 V HA 0.237 4.357 4.120 0.001 0.000 0.295 48 V C 0.272 176.014 176.094 -0.588 0.000 1.025 48 V CA -0.571 61.535 62.300 -0.324 0.000 0.859 48 V CB 1.943 33.701 31.823 -0.107 0.000 0.988 48 V HN 0.182 nan 8.190 nan 0.000 0.431 49 H N 2.249 121.272 119.070 -0.079 0.000 3.078 49 H HA 0.371 4.928 4.556 0.001 0.000 0.263 49 H C -0.253 174.838 175.328 -0.396 0.000 1.177 49 H CA -0.269 55.605 56.048 -0.289 0.000 1.128 49 H CB 0.898 30.643 29.762 -0.028 0.000 1.623 49 H HN 0.490 nan 8.280 nan 0.000 0.592 50 N N 0.898 119.490 118.700 -0.180 0.000 2.265 50 N HA 0.676 5.417 4.740 0.001 0.000 0.300 50 N C -0.645 174.789 175.510 -0.128 0.000 1.148 50 N CA -0.263 52.702 53.050 -0.141 0.000 0.772 50 N CB 2.970 41.418 38.487 -0.065 0.000 1.434 50 N HN 0.242 nan 8.380 nan 0.000 0.481 51 A N -0.252 122.513 122.820 -0.092 0.000 2.586 51 A HA 0.771 5.092 4.320 0.001 0.000 0.290 51 A C -1.672 175.910 177.584 -0.003 0.000 1.086 51 A CA -0.654 51.363 52.037 -0.033 0.000 0.665 51 A CB 0.781 19.760 19.000 -0.034 0.000 1.279 51 A HN 0.590 nan 8.150 nan 0.000 0.423 52 A N 1.056 123.900 122.820 0.040 0.000 2.412 52 A HA 0.625 4.946 4.320 0.001 0.000 0.334 52 A C -0.165 177.453 177.584 0.056 0.000 1.419 52 A CA -0.206 51.862 52.037 0.050 0.000 0.930 52 A CB -0.284 18.762 19.000 0.077 0.000 1.149 52 A HN 0.658 nan 8.150 nan 0.000 0.515 53 E N 1.348 121.572 120.200 0.040 0.000 2.250 53 E HA 0.459 4.810 4.350 0.001 0.000 0.269 53 E C -0.850 175.776 176.600 0.044 0.000 1.018 53 E CA -0.598 55.831 56.400 0.049 0.000 0.873 53 E CB 1.824 31.547 29.700 0.039 0.000 1.134 53 E HN 0.636 nan 8.360 nan 0.000 0.403 54 I N 2.543 123.134 120.570 0.035 0.000 2.291 54 I HA 0.035 4.206 4.170 0.001 0.000 0.290 54 I C 0.727 176.890 176.117 0.078 0.000 1.050 54 I CA 0.238 61.552 61.300 0.024 0.000 1.245 54 I CB 0.599 38.544 38.000 -0.093 0.000 1.405 54 I HN 0.433 nan 8.210 nan 0.000 0.478 55 Q N 3.333 123.179 119.800 0.076 0.000 2.282 55 Q HA 0.021 4.362 4.340 0.001 0.000 0.206 55 Q C -0.190 175.866 176.000 0.094 0.000 0.878 55 Q CA 0.177 56.028 55.803 0.081 0.000 0.944 55 Q CB 0.429 29.199 28.738 0.054 0.000 1.100 55 Q HN 0.705 nan 8.270 nan 0.000 0.509 56 D N -0.875 119.587 120.400 0.103 0.000 2.740 56 D HA 0.000 4.641 4.640 0.001 0.000 0.301 56 D C -0.472 175.889 176.300 0.102 0.000 1.408 56 D CA -0.685 53.367 54.000 0.088 0.000 0.808 56 D CB -0.638 40.192 40.800 0.050 0.000 1.128 56 D HN -0.068 nan 8.370 nan 0.000 0.465 57 F N 2.789 122.748 119.950 0.015 0.000 2.602 57 F HA 0.232 4.760 4.527 0.001 0.000 0.385 57 F C -1.840 173.972 175.800 0.020 0.000 1.063 57 F CA -2.017 55.976 58.000 -0.011 0.000 1.233 57 F CB 0.716 39.799 39.000 0.137 0.000 1.067 57 F HN -0.145 nan 8.300 nan 0.000 0.564 58 P HA 0.033 nan 4.420 nan 0.000 0.226 58 P C 0.684 177.619 177.300 -0.609 0.000 1.783 58 P CA 0.243 63.009 63.100 -0.556 0.000 0.980 58 P CB -0.569 30.829 31.700 -0.502 0.000 1.967 59 F N 2.173 121.859 119.950 -0.440 0.000 2.091 59 F HA -0.241 4.287 4.527 0.002 0.000 0.299 59 F C 1.463 177.295 175.800 0.053 0.000 1.103 59 F CA 1.822 59.830 58.000 0.014 0.000 1.228 59 F CB -0.096 39.074 39.000 0.283 0.000 0.984 59 F HN 0.038 nan 8.300 nan 0.000 0.477 60 D N 0.200 120.692 120.400 0.152 0.000 2.350 60 D HA -0.161 4.480 4.640 0.001 0.000 0.216 60 D C 2.057 178.241 176.300 -0.193 0.000 0.968 60 D CA 0.723 54.749 54.000 0.043 0.000 0.894 60 D CB -0.353 40.504 40.800 0.093 0.000 0.909 60 D HN 0.406 nan 8.370 nan 0.000 0.520 61 K N -0.291 119.888 120.400 -0.369 0.000 2.057 61 K HA -0.158 4.163 4.320 0.001 0.000 0.207 61 K C 1.108 177.250 176.600 -0.764 0.000 1.049 61 K CA 1.274 57.196 56.287 -0.608 0.000 0.931 61 K CB 0.074 32.080 32.500 -0.824 0.000 0.714 61 K HN 0.240 nan 8.250 nan 0.000 0.440 62 Y N -1.988 117.982 120.300 -0.551 0.000 2.423 62 Y HA 0.256 4.807 4.550 0.002 0.000 0.257 62 Y C 0.038 175.486 175.900 -0.754 0.000 1.087 62 Y CA -1.116 56.550 58.100 -0.723 0.000 1.258 62 Y CB 0.687 38.551 38.460 -0.993 0.000 1.237 62 Y HN -0.156 nan 8.280 nan 0.000 0.517 63 F N 0.288 120.107 119.950 -0.219 0.000 2.541 63 F HA 0.624 5.152 4.527 0.001 0.000 0.331 63 F C -0.009 175.660 175.800 -0.218 0.000 1.057 63 F CA -1.715 56.060 58.000 -0.375 0.000 0.975 63 F CB 1.473 39.868 39.000 -1.008 0.000 1.246 63 F HN -0.383 nan 8.300 nan 0.000 0.484 64 V N -1.063 118.988 119.914 0.227 0.000 2.960 64 V HA 0.437 4.558 4.120 0.001 0.000 0.315 64 V C 0.743 177.136 176.094 0.497 0.000 1.087 64 V CA -1.124 61.371 62.300 0.324 0.000 0.982 64 V CB 1.817 33.762 31.823 0.203 0.000 1.039 64 V HN 0.891 nan 8.190 nan 0.000 0.437 65 K N 1.244 121.891 120.400 0.412 0.000 2.077 65 K HA -0.231 4.090 4.320 0.001 0.000 0.213 65 K C 1.740 178.487 176.600 0.246 0.000 1.051 65 K CA 2.540 59.009 56.287 0.304 0.000 0.929 65 K CB -0.208 32.385 32.500 0.156 0.000 0.715 65 K HN 0.797 nan 8.250 nan 0.000 0.451 66 K N 0.302 120.813 120.400 0.186 0.000 2.360 66 K HA -0.117 4.204 4.320 0.001 0.000 0.201 66 K C 1.499 178.171 176.600 0.120 0.000 1.046 66 K CA 1.224 57.583 56.287 0.120 0.000 0.945 66 K CB -0.021 32.527 32.500 0.080 0.000 0.750 66 K HN 0.293 nan 8.250 nan 0.000 0.464 67 D N 0.147 120.683 120.400 0.227 0.000 2.218 67 D HA -0.122 4.519 4.640 0.001 0.000 0.204 67 D C 1.892 178.296 176.300 0.175 0.000 0.976 67 D CA 1.526 55.660 54.000 0.224 0.000 0.853 67 D CB -0.204 40.822 40.800 0.376 0.000 0.939 67 D HN 0.354 nan 8.370 nan 0.000 0.481 68 T N -1.214 113.475 114.554 0.223 0.000 3.007 68 T HA -0.097 4.253 4.350 0.001 0.000 0.270 68 T C 1.525 176.242 174.700 0.028 0.000 1.107 68 T CA 0.630 62.812 62.100 0.137 0.000 1.118 68 T CB -0.092 68.838 68.868 0.104 0.000 0.889 68 T HN -0.080 nan 8.240 nan 0.000 0.506 69 N N 2.250 120.945 118.700 -0.009 0.000 2.381 69 N HA -0.039 4.702 4.740 0.001 0.000 0.182 69 N C 1.882 177.313 175.510 -0.132 0.000 1.025 69 N CA 1.207 54.224 53.050 -0.054 0.000 0.888 69 N CB -0.218 38.239 38.487 -0.050 0.000 0.965 69 N HN 0.802 nan 8.380 nan 0.000 0.438 70 R N -1.524 118.814 120.500 -0.271 0.000 2.446 70 R HA 0.247 4.588 4.340 0.001 0.000 0.254 70 R C -0.513 175.446 176.300 -0.568 0.000 0.918 70 R CA -0.087 55.732 56.100 -0.468 0.000 1.069 70 R CB 0.152 30.058 30.300 -0.657 0.000 1.194 70 R HN -0.062 nan 8.270 nan 0.000 0.534 71 F N 1.332 121.254 119.950 -0.047 0.000 2.539 71 F HA 0.318 4.846 4.527 0.001 0.000 0.318 71 F C -0.304 175.444 175.800 -0.086 0.000 1.135 71 F CA -1.418 56.524 58.000 -0.096 0.000 0.915 71 F CB 2.031 40.919 39.000 -0.188 0.000 1.176 71 F HN -0.090 nan 8.300 nan 0.000 0.440 72 D N 1.402 121.884 120.400 0.137 0.000 2.358 72 D HA 0.097 4.738 4.640 0.001 0.000 0.244 72 D C 1.045 177.307 176.300 -0.064 0.000 1.163 72 D CA -0.020 54.026 54.000 0.077 0.000 0.945 72 D CB 0.810 41.729 40.800 0.198 0.000 1.152 72 D HN 0.381 nan 8.370 nan 0.000 0.451 73 N N 0.509 119.106 118.700 -0.172 0.000 2.192 73 N HA -0.250 4.491 4.740 0.001 0.000 0.188 73 N C 1.458 176.524 175.510 -0.741 0.000 1.013 73 N CA 1.206 53.921 53.050 -0.559 0.000 0.863 73 N CB -0.551 37.544 38.487 -0.653 0.000 0.990 73 N HN 0.620 nan 8.380 nan 0.000 0.430 74 Y N 0.013 120.055 120.300 -0.430 0.000 2.274 74 Y HA -0.030 4.521 4.550 0.001 0.000 0.290 74 Y C 2.133 177.935 175.900 -0.164 0.000 1.145 74 Y CA 1.293 59.235 58.100 -0.263 0.000 1.203 74 Y CB -0.444 37.967 38.460 -0.082 0.000 0.984 74 Y HN -0.095 nan 8.280 nan 0.000 0.533 75 S N 0.905 116.140 115.700 -0.775 0.000 2.377 75 S HA -0.013 4.458 4.470 0.001 0.000 0.223 75 S C 1.908 176.243 174.600 -0.442 0.000 1.030 75 S CA 1.060 58.863 58.200 -0.662 0.000 0.970 75 S CB -0.444 62.486 63.200 -0.450 0.000 0.830 75 S HN 0.488 nan 8.310 nan 0.000 0.473 76 L N 0.271 121.225 121.223 -0.448 0.000 2.012 76 L HA -0.188 4.153 4.340 0.001 0.000 0.210 76 L C 2.202 179.160 176.870 0.146 0.000 1.073 76 L CA 1.634 56.250 54.840 -0.374 0.000 0.748 76 L CB -0.793 41.025 42.059 -0.403 0.000 0.891 76 L HN 0.431 nan 8.230 nan 0.000 0.431 77 Y N -0.388 119.849 120.300 -0.105 0.000 2.181 77 Y HA -0.282 4.268 4.550 0.001 0.000 0.288 77 Y C 2.733 178.766 175.900 0.221 0.000 1.146 77 Y CA 0.271 58.410 58.100 0.064 0.000 1.164 77 Y CB -0.350 38.082 38.460 -0.045 0.000 0.982 77 Y HN 0.213 nan 8.280 nan 0.000 0.515 78 A N 0.347 123.302 122.820 0.225 0.000 1.898 78 A HA -0.143 4.178 4.320 0.001 0.000 0.216 78 A C 2.184 179.872 177.584 0.174 0.000 1.181 78 A CA 1.266 53.393 52.037 0.150 0.000 0.620 78 A CB -0.976 18.031 19.000 0.011 0.000 0.819 78 A HN 0.451 nan 8.150 nan 0.000 0.442 79 L N -2.127 119.192 121.223 0.160 0.000 2.056 79 L HA -0.176 4.165 4.340 0.001 0.000 0.207 79 L C 2.577 179.621 176.870 0.291 0.000 1.078 79 L CA 1.781 56.735 54.840 0.190 0.000 0.749 79 L CB -0.636 41.495 42.059 0.120 0.000 0.901 79 L HN 0.612 nan 8.230 nan 0.000 0.433 80 Y N 0.728 121.279 120.300 0.418 0.000 2.114 80 Y HA -0.311 4.240 4.550 0.002 0.000 0.284 80 Y C 2.484 178.536 175.900 0.254 0.000 1.143 80 Y CA 1.537 59.874 58.100 0.396 0.000 1.135 80 Y CB -0.395 38.460 38.460 0.658 0.000 0.980 80 Y HN 0.093 nan 8.280 nan 0.000 0.499 81 A N 0.698 123.694 122.820 0.295 0.000 1.940 81 A HA -0.144 4.177 4.320 0.001 0.000 0.219 81 A C 2.411 179.988 177.584 -0.012 0.000 1.176 81 A CA 2.066 54.169 52.037 0.111 0.000 0.631 81 A CB -1.558 17.568 19.000 0.211 0.000 0.814 81 A HN 0.673 nan 8.150 nan 0.000 0.446 82 A N -1.045 121.796 122.820 0.035 0.000 1.898 82 A HA -0.171 4.150 4.320 0.001 0.000 0.216 82 A C 2.159 179.658 177.584 -0.140 0.000 1.181 82 A CA 2.067 54.081 52.037 -0.039 0.000 0.620 82 A CB -0.525 18.524 19.000 0.082 0.000 0.819 82 A HN 0.531 nan 8.150 nan 0.000 0.442 83 Q N -0.152 119.640 119.800 -0.014 0.000 2.084 83 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 83 Q C 1.895 177.776 176.000 -0.198 0.000 0.978 83 Q CA 1.952 57.700 55.803 -0.092 0.000 0.844 83 Q CB -0.230 28.160 28.738 -0.580 0.000 0.898 83 Q HN 0.618 nan 8.270 nan 0.000 0.426 84 E N -0.174 119.872 120.200 -0.257 0.000 2.110 84 E HA -0.162 4.189 4.350 0.001 0.000 0.193 84 E C 1.825 178.356 176.600 -0.115 0.000 0.988 84 E CA 1.161 57.439 56.400 -0.203 0.000 0.804 84 E CB -0.395 29.114 29.700 -0.318 0.000 0.745 84 E HN 0.480 nan 8.360 nan 0.000 0.458 85 A N 1.002 123.759 122.820 -0.105 0.000 1.873 85 A HA -0.127 4.194 4.320 0.001 0.000 0.215 85 A C 2.640 180.161 177.584 -0.105 0.000 1.186 85 A CA 1.385 53.388 52.037 -0.056 0.000 0.616 85 A CB -0.756 18.214 19.000 -0.051 0.000 0.823 85 A HN 0.130 nan 8.150 nan 0.000 0.442 86 V N 1.117 120.914 119.914 -0.195 0.000 2.287 86 V HA -0.302 3.819 4.120 0.001 0.000 0.248 86 V C 2.363 178.389 176.094 -0.114 0.000 1.053 86 V CA 2.317 64.487 62.300 -0.216 0.000 1.027 86 V CB -1.022 30.586 31.823 -0.358 0.000 0.646 86 V HN 0.570 nan 8.190 nan 0.000 0.447 87 N N -0.599 118.058 118.700 -0.071 0.000 2.084 87 N HA -0.189 4.552 4.740 0.001 0.000 0.190 87 N C 1.836 177.343 175.510 -0.004 0.000 1.030 87 N CA 1.856 54.889 53.050 -0.030 0.000 0.849 87 N CB -0.682 37.796 38.487 -0.015 0.000 1.012 87 N HN 0.688 nan 8.380 nan 0.000 0.423 88 H N 0.101 119.083 119.070 -0.147 0.000 2.352 88 H HA -0.050 4.507 4.556 0.002 0.000 0.299 88 H C 1.488 176.707 175.328 -0.182 0.000 1.097 88 H CA 1.302 57.240 56.048 -0.184 0.000 1.311 88 H CB 0.147 29.750 29.762 -0.265 0.000 1.377 88 H HN 0.258 nan 8.280 nan 0.000 0.504 89 A N 0.613 123.332 122.820 -0.168 0.000 2.168 89 A HA -0.136 4.185 4.320 0.001 0.000 0.215 89 A C 1.125 178.614 177.584 -0.158 0.000 1.152 89 A CA 0.885 52.785 52.037 -0.230 0.000 0.716 89 A CB -0.314 18.564 19.000 -0.203 0.000 0.794 89 A HN 0.774 nan 8.150 nan 0.000 0.465 90 N N -2.139 116.496 118.700 -0.108 0.000 2.740 90 N HA -0.164 4.577 4.740 0.001 0.000 0.248 90 N C -0.583 174.871 175.510 -0.093 0.000 1.062 90 N CA 0.683 53.683 53.050 -0.083 0.000 0.704 90 N CB -1.876 36.564 38.487 -0.079 0.000 0.968 90 N HN 0.415 nan 8.380 nan 0.000 0.547 91 L N 0.843 122.000 121.223 -0.110 0.000 2.278 91 L HA 0.360 4.701 4.340 0.001 0.000 0.287 91 L C -0.083 176.725 176.870 -0.102 0.000 1.072 91 L CA -0.336 54.427 54.840 -0.129 0.000 0.819 91 L CB 0.811 42.756 42.059 -0.190 0.000 1.176 91 L HN 0.167 nan 8.230 nan 0.000 0.435 92 D N 3.673 124.021 120.400 -0.088 0.000 2.441 92 D HA 0.077 4.718 4.640 0.001 0.000 0.221 92 D C 1.182 177.442 176.300 -0.067 0.000 1.156 92 D CA -0.118 53.850 54.000 -0.053 0.000 0.896 92 D CB 1.048 41.822 40.800 -0.044 0.000 1.028 92 D HN 0.414 nan 8.370 nan 0.000 0.509 93 V N 2.809 122.700 119.914 -0.038 0.000 2.594 93 V HA -0.099 4.022 4.120 0.001 0.000 0.253 93 V C 1.987 178.097 176.094 0.027 0.000 1.069 93 V CA 1.603 63.879 62.300 -0.040 0.000 1.082 93 V CB -0.955 30.968 31.823 0.166 0.000 0.680 93 V HN 0.455 nan 8.190 nan 0.000 0.469 94 A N 0.329 123.173 122.820 0.039 0.000 2.121 94 A HA 0.354 4.675 4.320 0.001 0.000 0.218 94 A C 2.239 179.836 177.584 0.021 0.000 1.154 94 A CA 1.587 53.649 52.037 0.041 0.000 0.679 94 A CB -0.590 18.430 19.000 0.032 0.000 0.795 94 A HN 1.033 nan 8.150 nan 0.000 0.458 95 A N -0.989 121.829 122.820 -0.003 0.000 2.308 95 A HA 0.524 4.845 4.320 0.001 0.000 0.217 95 A C 0.799 178.378 177.584 -0.007 0.000 1.216 95 A CA -0.309 51.722 52.037 -0.010 0.000 0.864 95 A CB -0.133 18.851 19.000 -0.028 0.000 0.902 95 A HN 0.395 nan 8.150 nan 0.000 0.499 96 L N 0.062 121.278 121.223 -0.012 0.000 2.475 96 L HA 0.172 4.513 4.340 0.001 0.000 0.253 96 L C 0.508 177.407 176.870 0.048 0.000 1.198 96 L CA -0.712 54.131 54.840 0.004 0.000 0.814 96 L CB 0.231 42.221 42.059 -0.115 0.000 1.134 96 L HN 0.248 nan 8.230 nan 0.000 0.478 97 N N 0.903 119.645 118.700 0.071 0.000 2.415 97 N HA 0.073 4.814 4.740 0.001 0.000 0.250 97 N C 0.788 176.367 175.510 0.115 0.000 1.127 97 N CA 0.142 53.239 53.050 0.079 0.000 0.945 97 N CB 0.573 39.105 38.487 0.075 0.000 1.196 97 N HN 0.428 nan 8.380 nan 0.000 0.499 98 R N 1.690 122.271 120.500 0.135 0.000 2.200 98 R HA -0.080 4.261 4.340 0.001 0.000 0.234 98 R C 0.362 176.762 176.300 0.167 0.000 1.127 98 R CA 1.115 57.339 56.100 0.206 0.000 0.989 98 R CB 0.216 30.621 30.300 0.176 0.000 0.869 98 R HN 0.537 nan 8.270 nan 0.000 0.459 99 D N 0.055 120.522 120.400 0.112 0.000 2.312 99 D HA -0.062 4.579 4.640 0.001 0.000 0.211 99 D C 1.227 177.585 176.300 0.096 0.000 0.964 99 D CA 0.806 54.858 54.000 0.086 0.000 0.877 99 D CB 0.159 40.999 40.800 0.066 0.000 0.924 99 D HN 0.110 nan 8.370 nan 0.000 0.515 100 R N 0.044 120.613 120.500 0.115 0.000 2.427 100 R HA 0.118 4.458 4.340 0.001 0.000 0.262 100 R C -0.079 176.311 176.300 0.149 0.000 0.943 100 R CA -0.363 55.799 56.100 0.103 0.000 1.081 100 R CB 0.103 30.442 30.300 0.065 0.000 1.166 100 R HN 0.041 nan 8.270 nan 0.000 0.534 101 F N 0.815 120.753 119.950 -0.019 0.000 2.426 101 F HA 0.677 5.205 4.527 0.001 0.000 0.348 101 F C -0.114 175.680 175.800 -0.009 0.000 1.124 101 F CA -1.729 56.249 58.000 -0.036 0.000 1.008 101 F CB 1.299 40.286 39.000 -0.022 0.000 1.139 101 F HN 0.009 nan 8.300 nan 0.000 0.452 102 G N 3.802 112.610 108.800 0.013 0.000 2.816 102 G HA2 0.689 4.650 3.960 0.001 0.000 0.288 102 G HA3 0.689 4.650 3.960 0.001 0.000 0.288 102 G C -2.133 172.653 174.900 -0.191 0.000 1.334 102 G CA -0.935 44.083 45.100 -0.137 0.000 0.978 102 G HN 0.581 nan 8.290 nan 0.000 0.493 103 V N 0.285 120.113 119.914 -0.143 0.000 2.808 103 V HA 0.506 4.627 4.120 0.001 0.000 0.308 103 V C -0.834 175.234 176.094 -0.042 0.000 1.099 103 V CA -0.458 61.781 62.300 -0.102 0.000 0.920 103 V CB 1.852 33.597 31.823 -0.130 0.000 1.014 103 V HN 0.638 nan 8.190 nan 0.000 0.425 104 I N 4.433 124.995 120.570 -0.014 0.000 2.468 104 I HA 0.508 4.679 4.170 0.001 0.000 0.285 104 I C -1.024 175.104 176.117 0.020 0.000 1.039 104 I CA -0.769 60.532 61.300 0.003 0.000 1.074 104 I CB 2.194 40.196 38.000 0.004 0.000 1.228 104 I HN 0.268 nan 8.210 nan 0.000 0.436 105 V N 5.785 125.719 119.914 0.034 0.000 2.349 105 V HA 0.541 4.662 4.120 0.001 0.000 0.284 105 V C 0.534 176.677 176.094 0.082 0.000 1.014 105 V CA -0.528 61.806 62.300 0.057 0.000 0.826 105 V CB 1.437 33.292 31.823 0.053 0.000 1.009 105 V HN 0.821 nan 8.190 nan 0.000 0.431 106 A N 3.853 126.721 122.820 0.080 0.000 2.332 106 A HA 0.826 5.147 4.320 0.001 0.000 0.258 106 A C 0.248 177.910 177.584 0.131 0.000 1.087 106 A CA -0.099 51.990 52.037 0.086 0.000 0.802 106 A CB 1.076 20.114 19.000 0.063 0.000 1.042 106 A HN 0.898 nan 8.150 nan 0.000 0.489 107 S N -0.713 115.060 115.700 0.121 0.000 2.548 107 S HA 0.515 4.986 4.470 0.001 0.000 0.278 107 S C 0.697 175.342 174.600 0.075 0.000 1.150 107 S CA 0.089 58.368 58.200 0.132 0.000 0.907 107 S CB 1.118 64.427 63.200 0.182 0.000 1.108 107 S HN 1.426 nan 8.310 nan 0.000 0.459 108 G N 2.188 111.035 108.800 0.078 0.000 2.453 108 G HA2 0.170 4.131 3.960 0.001 0.000 0.215 108 G HA3 0.170 4.131 3.960 0.001 0.000 0.215 108 G C 0.774 175.708 174.900 0.057 0.000 1.147 108 G CA 0.613 45.764 45.100 0.084 0.000 0.802 108 G HN 0.708 nan 8.290 nan 0.000 0.535 109 I N -0.928 119.651 120.570 0.014 0.000 4.655 109 I HA 0.334 4.505 4.170 0.001 0.000 0.333 109 I C 1.445 177.457 176.117 -0.175 0.000 1.312 109 I CA 0.157 61.442 61.300 -0.025 0.000 1.270 109 I CB 0.522 38.553 38.000 0.052 0.000 1.318 109 I HN 0.282 nan 8.210 nan 0.000 0.456 110 G N 1.805 110.383 108.800 -0.369 0.000 2.562 110 G HA2 -0.247 3.714 3.960 0.001 0.000 0.250 110 G HA3 -0.247 3.714 3.960 0.001 0.000 0.250 110 G C 0.504 174.817 174.900 -0.979 0.000 1.269 110 G CA -0.217 44.301 45.100 -0.970 0.000 0.919 110 G HN 0.566 nan 8.290 nan 0.000 0.574 111 G N -0.789 107.530 108.800 -0.801 0.000 3.316 111 G HA2 0.462 4.423 3.960 0.001 0.000 0.255 111 G HA3 0.462 4.423 3.960 0.001 0.000 0.255 111 G C 1.136 175.965 174.900 -0.118 0.000 0.880 111 G CA 0.636 45.596 45.100 -0.232 0.000 1.956 111 G HN 0.918 nan 8.290 nan 0.000 0.634 112 I N 0.706 121.212 120.570 -0.107 0.000 2.454 112 I HA -0.077 4.093 4.170 0.001 0.000 0.254 112 I C 2.478 178.588 176.117 -0.012 0.000 1.156 112 I CA 1.206 62.484 61.300 -0.037 0.000 1.433 112 I CB 0.047 38.075 38.000 0.046 0.000 1.082 112 I HN 0.395 nan 8.210 nan 0.000 0.432 113 K N 0.188 120.592 120.400 0.006 0.000 2.025 113 K HA -0.265 4.056 4.320 0.001 0.000 0.207 113 K C 2.151 178.747 176.600 -0.007 0.000 1.049 113 K CA 1.732 58.026 56.287 0.012 0.000 0.933 113 K CB -0.172 32.344 32.500 0.026 0.000 0.714 113 K HN 0.259 nan 8.250 nan 0.000 0.438 114 E N 1.040 121.237 120.200 -0.005 0.000 2.058 114 E HA -0.185 4.166 4.350 0.001 0.000 0.194 114 E C 1.807 178.386 176.600 -0.035 0.000 0.997 114 E CA 1.735 58.130 56.400 -0.010 0.000 0.801 114 E CB -0.196 29.508 29.700 0.008 0.000 0.746 114 E HN 0.403 nan 8.360 nan 0.000 0.450 115 I N 0.547 121.081 120.570 -0.060 0.000 2.127 115 I HA -0.286 3.885 4.170 0.001 0.000 0.241 115 I C 2.652 178.699 176.117 -0.116 0.000 1.075 115 I CA 1.824 63.066 61.300 -0.096 0.000 1.334 115 I CB -0.462 37.456 38.000 -0.138 0.000 1.040 115 I HN 0.303 nan 8.210 nan 0.000 0.405 116 E N 1.188 121.311 120.200 -0.129 0.000 2.038 116 E HA -0.284 4.067 4.350 0.001 0.000 0.195 116 E C 1.716 178.279 176.600 -0.062 0.000 1.000 116 E CA 1.970 58.293 56.400 -0.127 0.000 0.803 116 E CB 0.032 29.684 29.700 -0.079 0.000 0.750 116 E HN 0.402 nan 8.360 nan 0.000 0.448 117 D N 0.211 120.591 120.400 -0.034 0.000 2.123 117 D HA -0.170 4.471 4.640 0.001 0.000 0.196 117 D C 2.055 178.348 176.300 -0.013 0.000 0.992 117 D CA 0.966 54.958 54.000 -0.013 0.000 0.833 117 D CB -0.245 40.553 40.800 -0.004 0.000 0.954 117 D HN 0.243 nan 8.370 nan 0.000 0.455 118 Q N 0.200 119.987 119.800 -0.022 0.000 2.230 118 Q HA -0.011 4.330 4.340 0.001 0.000 0.202 118 Q C 2.472 178.467 176.000 -0.009 0.000 0.963 118 Q CA 0.258 56.050 55.803 -0.019 0.000 0.866 118 Q CB -0.318 28.404 28.738 -0.025 0.000 0.931 118 Q HN 0.233 nan 8.270 nan 0.000 0.452 119 V N 1.325 121.233 119.914 -0.011 0.000 2.343 119 V HA -0.238 3.882 4.120 0.001 0.000 0.247 119 V C 2.366 178.532 176.094 0.120 0.000 1.051 119 V CA 1.408 63.734 62.300 0.043 0.000 1.036 119 V CB -0.542 31.260 31.823 -0.034 0.000 0.654 119 V HN 0.255 nan 8.190 nan 0.000 0.451 120 L N -0.536 120.715 121.223 0.047 0.000 2.056 120 L HA -0.156 4.185 4.340 0.001 0.000 0.207 120 L C 2.700 179.605 176.870 0.058 0.000 1.078 120 L CA 1.536 56.410 54.840 0.057 0.000 0.749 120 L CB -0.571 41.502 42.059 0.022 0.000 0.901 120 L HN 0.244 nan 8.230 nan 0.000 0.433 121 R N 0.694 121.210 120.500 0.026 0.000 2.081 121 R HA -0.190 4.151 4.340 0.001 0.000 0.235 121 R C 2.143 178.436 176.300 -0.012 0.000 1.131 121 R CA 1.467 57.571 56.100 0.007 0.000 0.960 121 R CB -0.643 29.654 30.300 -0.005 0.000 0.856 121 R HN 0.226 nan 8.270 nan 0.000 0.436 122 L N -0.227 120.978 121.223 -0.030 0.000 2.017 122 L HA -0.137 4.204 4.340 0.001 0.000 0.208 122 L C 1.579 178.323 176.870 -0.211 0.000 1.073 122 L CA 2.093 56.854 54.840 -0.130 0.000 0.745 122 L CB -0.683 41.267 42.059 -0.181 0.000 0.894 122 L HN 0.315 nan 8.230 nan 0.000 0.432 123 H N -0.720 118.335 119.070 -0.026 0.000 2.462 123 H HA -0.001 4.556 4.556 0.001 0.000 0.292 123 H C 1.997 177.315 175.328 -0.017 0.000 1.049 123 H CA 1.500 57.535 56.048 -0.022 0.000 1.334 123 H CB 0.137 29.884 29.762 -0.025 0.000 1.404 123 H HN 0.535 nan 8.280 nan 0.000 0.544 124 E N -0.060 120.179 120.200 0.065 0.000 2.140 124 E HA -0.008 4.343 4.350 0.001 0.000 0.191 124 E C 1.195 177.799 176.600 0.007 0.000 0.973 124 E CA 0.595 57.017 56.400 0.036 0.000 0.829 124 E CB 0.438 30.157 29.700 0.031 0.000 0.781 124 E HN 0.225 nan 8.360 nan 0.000 0.466 125 K N -0.285 120.108 120.400 -0.011 0.000 2.402 125 K HA 0.259 4.579 4.320 0.001 0.000 0.203 125 K C 0.484 177.062 176.600 -0.037 0.000 1.077 125 K CA 0.584 56.859 56.287 -0.020 0.000 1.051 125 K CB 1.828 34.320 32.500 -0.015 0.000 0.907 125 K HN 0.174 nan 8.250 nan 0.000 0.554 126 G N 2.653 111.415 108.800 -0.064 0.000 2.662 126 G HA2 -0.157 3.804 3.960 0.001 0.000 0.686 126 G HA3 -0.157 3.804 3.960 0.001 0.000 0.686 126 G C -2.298 172.553 174.900 -0.082 0.000 1.271 126 G CA -0.499 44.553 45.100 -0.080 0.000 0.816 126 G HN -0.160 nan 8.290 nan 0.000 0.608 127 P HA -0.091 nan 4.420 nan 0.000 0.219 127 P C 1.473 178.741 177.300 -0.052 0.000 1.146 127 P CA 1.419 64.473 63.100 -0.075 0.000 0.808 127 P CB 0.048 31.706 31.700 -0.071 0.000 0.779 128 K N -0.480 119.894 120.400 -0.043 0.000 2.362 128 K HA -0.039 4.282 4.320 0.001 0.000 0.200 128 K C 1.762 178.345 176.600 -0.029 0.000 1.046 128 K CA 0.674 56.942 56.287 -0.032 0.000 0.952 128 K CB 0.041 32.524 32.500 -0.027 0.000 0.753 128 K HN 0.078 nan 8.250 nan 0.000 0.466 129 R N 0.281 120.762 120.500 -0.032 0.000 2.362 129 R HA 0.132 4.473 4.340 0.001 0.000 0.227 129 R C 0.045 176.329 176.300 -0.027 0.000 0.905 129 R CA 0.011 56.096 56.100 -0.026 0.000 1.067 129 R CB 0.224 30.510 30.300 -0.022 0.000 1.078 129 R HN -0.082 nan 8.270 nan 0.000 0.516 130 V N 3.435 123.329 119.914 -0.034 0.000 2.572 130 V HA 0.010 4.131 4.120 0.001 0.000 0.291 130 V C 0.730 176.808 176.094 -0.027 0.000 1.039 130 V CA -0.085 62.195 62.300 -0.033 0.000 1.055 130 V CB 0.850 32.648 31.823 -0.041 0.000 0.969 130 V HN -0.017 nan 8.190 nan 0.000 0.482 131 K N 6.532 126.918 120.400 -0.024 0.000 2.401 131 K HA 0.163 4.484 4.320 0.001 0.000 0.278 131 K C -1.582 175.003 176.600 -0.025 0.000 1.018 131 K CA -1.785 54.489 56.287 -0.023 0.000 0.981 131 K CB 0.669 33.157 32.500 -0.021 0.000 0.933 131 K HN 0.315 nan 8.250 nan 0.000 0.477 132 P HA -0.069 nan 4.420 nan 0.000 0.218 132 P C 0.882 178.165 177.300 -0.029 0.000 1.148 132 P CA 1.207 64.291 63.100 -0.026 0.000 0.822 132 P CB 0.233 31.917 31.700 -0.027 0.000 0.784 133 M N -1.805 117.775 119.600 -0.034 0.000 2.628 133 M HA 0.055 4.535 4.480 0.001 0.000 0.232 133 M C 1.378 177.664 176.300 -0.025 0.000 1.128 133 M CA 0.886 56.163 55.300 -0.039 0.000 1.040 133 M CB -1.539 31.025 32.600 -0.061 0.000 1.608 133 M HN -0.067 nan 8.290 nan 0.000 0.507 134 T N 1.696 116.238 114.554 -0.020 0.000 2.570 134 T HA -0.178 4.173 4.350 0.001 0.000 0.266 134 T C 1.974 176.671 174.700 -0.005 0.000 1.071 134 T CA 1.498 63.589 62.100 -0.014 0.000 1.172 134 T CB -0.265 68.591 68.868 -0.020 0.000 0.864 134 T HN 0.378 nan 8.240 nan 0.000 0.421 135 L N 0.556 121.775 121.223 -0.006 0.000 2.056 135 L HA -0.020 4.321 4.340 0.001 0.000 0.207 135 L C -0.531 176.352 176.870 0.023 0.000 1.078 135 L CA 1.109 55.951 54.840 0.003 0.000 0.749 135 L CB -1.545 40.512 42.059 -0.004 0.000 0.901 135 L HN 0.208 nan 8.230 nan 0.000 0.433 136 P HA -0.158 nan 4.420 nan 0.000 0.218 136 P C 1.341 178.679 177.300 0.063 0.000 1.149 136 P CA 1.376 64.492 63.100 0.027 0.000 0.817 136 P CB 0.072 31.766 31.700 -0.010 0.000 0.785 137 K N -1.101 119.331 120.400 0.053 0.000 2.137 137 K HA 0.084 4.405 4.320 0.001 0.000 0.202 137 K C 2.019 178.728 176.600 0.182 0.000 1.052 137 K CA 1.165 57.514 56.287 0.104 0.000 0.961 137 K CB -0.281 32.252 32.500 0.055 0.000 0.741 137 K HN 0.025 nan 8.250 nan 0.000 0.452 138 A N 1.203 124.081 122.820 0.097 0.000 1.911 138 A HA 0.106 4.427 4.320 0.001 0.000 0.212 138 A C 0.876 178.462 177.584 0.003 0.000 1.189 138 A CA 0.085 52.145 52.037 0.040 0.000 0.639 138 A CB -0.314 18.677 19.000 -0.016 0.000 0.839 138 A HN 0.096 nan 8.150 nan 0.000 0.449 139 L N 0.451 121.700 121.223 0.043 0.000 2.578 139 L HA 0.028 4.369 4.340 0.001 0.000 0.279 139 L C -1.621 175.287 176.870 0.062 0.000 1.227 139 L CA -1.027 53.830 54.840 0.029 0.000 0.900 139 L CB 0.292 42.376 42.059 0.042 0.000 1.144 139 L HN 0.135 nan 8.230 nan 0.000 0.496 140 P HA -0.120 nan 4.420 nan 0.000 0.225 140 P C 0.838 178.242 177.300 0.174 0.000 1.148 140 P CA 0.931 64.034 63.100 0.005 0.000 0.779 140 P CB -0.013 31.667 31.700 -0.033 0.000 0.780 141 N N -1.440 117.340 118.700 0.134 0.000 2.424 141 N HA -0.035 4.706 4.740 0.001 0.000 0.178 141 N C 1.304 176.897 175.510 0.137 0.000 1.060 141 N CA 0.727 53.847 53.050 0.117 0.000 0.901 141 N CB -0.647 37.881 38.487 0.068 0.000 0.979 141 N HN 0.049 nan 8.380 nan 0.000 0.451 142 M N 1.443 121.155 119.600 0.188 0.000 2.149 142 M HA -0.017 4.464 4.480 0.001 0.000 0.261 142 M C 2.391 178.736 176.300 0.074 0.000 1.064 142 M CA 1.294 56.682 55.300 0.148 0.000 1.102 142 M CB -1.369 31.336 32.600 0.174 0.000 1.369 142 M HN 0.294 nan 8.290 nan 0.000 0.408 143 A N -0.140 122.688 122.820 0.014 0.000 1.908 143 A HA -0.156 4.165 4.320 0.001 0.000 0.218 143 A C 2.565 180.125 177.584 -0.040 0.000 1.181 143 A CA 2.290 54.227 52.037 -0.168 0.000 0.627 143 A CB -0.903 17.884 19.000 -0.356 0.000 0.818 143 A HN 0.482 nan 8.150 nan 0.000 0.445 144 S N -0.706 115.007 115.700 0.023 0.000 2.359 144 S HA -0.084 4.387 4.470 0.001 0.000 0.224 144 S C 2.078 176.683 174.600 0.008 0.000 1.035 144 S CA 1.328 59.540 58.200 0.019 0.000 1.018 144 S CB -0.677 62.541 63.200 0.030 0.000 0.876 144 S HN 0.788 nan 8.310 nan 0.000 0.448 145 G N 2.001 110.814 108.800 0.022 0.000 2.422 145 G HA2 -0.204 3.756 3.960 0.001 0.000 0.218 145 G HA3 -0.204 3.756 3.960 0.001 0.000 0.218 145 G C 1.369 176.284 174.900 0.025 0.000 1.146 145 G CA 0.681 45.793 45.100 0.020 0.000 0.769 145 G HN 0.406 nan 8.290 nan 0.000 0.547 146 N N 0.376 119.097 118.700 0.035 0.000 2.142 146 N HA -0.084 4.657 4.740 0.001 0.000 0.186 146 N C 2.330 177.832 175.510 -0.013 0.000 1.023 146 N CA 0.975 54.050 53.050 0.043 0.000 0.852 146 N CB -0.492 38.014 38.487 0.031 0.000 0.998 146 N HN 0.186 nan 8.380 nan 0.000 0.424 147 V N 1.605 121.519 119.914 -0.000 0.000 2.307 147 V HA -0.171 3.949 4.120 0.001 0.000 0.245 147 V C 2.408 178.569 176.094 0.111 0.000 1.045 147 V CA 1.758 64.109 62.300 0.084 0.000 1.024 147 V CB -0.946 30.938 31.823 0.102 0.000 0.651 147 V HN 0.283 nan 8.190 nan 0.000 0.449 148 A N -0.634 122.194 122.820 0.014 0.000 1.908 148 A HA -0.306 4.015 4.320 0.001 0.000 0.218 148 A C 2.280 179.844 177.584 -0.032 0.000 1.181 148 A CA 2.508 54.512 52.037 -0.055 0.000 0.627 148 A CB -0.557 18.393 19.000 -0.083 0.000 0.818 148 A HN 0.519 nan 8.150 nan 0.000 0.445 149 M N -1.064 118.522 119.600 -0.024 0.000 2.117 149 M HA -0.186 4.294 4.480 0.001 0.000 0.262 149 M C 2.345 178.592 176.300 -0.087 0.000 1.065 149 M CA 2.097 57.380 55.300 -0.028 0.000 1.114 149 M CB -0.166 32.438 32.600 0.006 0.000 1.361 149 M HN 0.488 nan 8.290 nan 0.000 0.408 150 R N -0.557 119.830 120.500 -0.188 0.000 2.096 150 R HA -0.147 4.194 4.340 0.001 0.000 0.235 150 R C 1.121 177.057 176.300 -0.606 0.000 1.127 150 R CA 1.798 57.618 56.100 -0.468 0.000 0.968 150 R CB -0.150 29.669 30.300 -0.802 0.000 0.861 150 R HN 0.422 nan 8.270 nan 0.000 0.440 151 F N -0.885 119.070 119.950 0.009 0.000 2.695 151 F HA 0.341 4.868 4.527 0.001 0.000 0.303 151 F C 1.227 177.121 175.800 0.157 0.000 1.091 151 F CA 0.268 58.329 58.000 0.102 0.000 1.300 151 F CB 1.117 40.233 39.000 0.193 0.000 1.071 151 F HN 0.203 nan 8.300 nan 0.000 0.578 152 G N 1.538 110.422 108.800 0.140 0.000 2.246 152 G HA2 -0.154 3.806 3.960 0.001 0.000 0.273 152 G HA3 -0.154 3.806 3.960 0.001 0.000 0.273 152 G C 0.145 175.104 174.900 0.098 0.000 1.055 152 G CA 0.033 45.201 45.100 0.113 0.000 0.851 152 G HN 0.629 nan 8.290 nan 0.000 0.500 153 A N -0.488 122.253 122.820 -0.132 0.000 2.350 153 A HA 0.643 4.964 4.320 0.001 0.000 0.293 153 A C 0.871 178.352 177.584 -0.172 0.000 1.231 153 A CA 0.252 52.024 52.037 -0.441 0.000 0.883 153 A CB 0.100 18.463 19.000 -1.062 0.000 1.133 153 A HN 0.517 nan 8.150 nan 0.000 0.533 154 N N 1.822 120.494 118.700 -0.047 0.000 2.236 154 N HA 0.152 4.893 4.740 0.001 0.000 0.196 154 N C 1.209 176.716 175.510 -0.006 0.000 1.114 154 N CA 0.325 53.369 53.050 -0.010 0.000 0.859 154 N CB 0.655 39.161 38.487 0.032 0.000 0.982 154 N HN 0.708 nan 8.380 nan 0.000 0.493 155 G N 0.316 109.106 108.800 -0.016 0.000 2.735 155 G HA2 0.190 4.151 3.960 0.001 0.000 0.192 155 G HA3 0.190 4.151 3.960 0.001 0.000 0.192 155 G C -0.063 174.825 174.900 -0.021 0.000 1.547 155 G CA -0.407 44.697 45.100 0.005 0.000 1.080 155 G HN -0.041 nan 8.290 nan 0.000 0.569 156 V N -0.472 119.435 119.914 -0.011 0.000 2.694 156 V HA 0.288 4.409 4.120 0.001 0.000 0.306 156 V C 0.236 176.304 176.094 -0.044 0.000 1.054 156 V CA 0.004 62.290 62.300 -0.023 0.000 1.161 156 V CB 0.512 32.327 31.823 -0.012 0.000 0.916 156 V HN 0.663 nan 8.190 nan 0.000 0.490 157 C N 7.481 126.759 119.300 -0.037 0.000 2.522 157 C HA 0.750 5.211 4.460 0.001 0.000 0.344 157 C C -0.441 174.538 174.990 -0.019 0.000 1.104 157 C CA -0.789 58.206 59.018 -0.038 0.000 1.317 157 C CB 0.262 27.976 27.740 -0.042 0.000 1.896 157 C HN 1.116 nan 8.230 nan 0.000 0.443 158 K N 3.143 123.537 120.400 -0.011 0.000 2.578 158 K HA 0.786 5.106 4.320 0.001 0.000 0.287 158 K C -1.390 175.219 176.600 0.015 0.000 1.010 158 K CA -0.452 55.836 56.287 0.002 0.000 0.889 158 K CB 1.518 34.015 32.500 -0.006 0.000 1.514 158 K HN 0.446 nan 8.250 nan 0.000 0.424 159 S N 0.519 116.234 115.700 0.026 0.000 2.536 159 S HA 0.661 5.132 4.470 0.001 0.000 0.298 159 S C -0.914 173.702 174.600 0.028 0.000 1.083 159 S CA -0.901 57.323 58.200 0.041 0.000 0.995 159 S CB 0.621 63.861 63.200 0.067 0.000 1.058 159 S HN 0.512 nan 8.310 nan 0.000 0.488 160 I N 3.801 124.388 120.570 0.027 0.000 2.509 160 I HA 0.435 4.606 4.170 0.001 0.000 0.293 160 I C -0.625 175.497 176.117 0.009 0.000 1.020 160 I CA -0.837 60.471 61.300 0.012 0.000 1.088 160 I CB 2.049 40.053 38.000 0.008 0.000 1.267 160 I HN 0.508 nan 8.210 nan 0.000 0.430 161 N N 3.964 122.656 118.700 -0.014 0.000 2.491 161 N HA 0.336 5.077 4.740 0.001 0.000 0.274 161 N C -0.553 174.890 175.510 -0.113 0.000 1.023 161 N CA -0.317 52.721 53.050 -0.020 0.000 0.902 161 N CB 1.457 39.949 38.487 0.008 0.000 1.267 161 N HN 0.688 nan 8.380 nan 0.000 0.503 162 T N 1.100 115.564 114.554 -0.151 0.000 3.633 162 T HA 0.601 4.952 4.350 0.001 0.000 0.278 162 T C 0.754 175.413 174.700 -0.070 0.000 0.991 162 T CA 0.193 62.035 62.100 -0.431 0.000 1.036 162 T CB -0.031 68.543 68.868 -0.490 0.000 1.148 162 T HN 0.641 nan 8.240 nan 0.000 0.501 163 A N 0.943 123.810 122.820 0.080 0.000 5.391 163 A HA -0.324 3.997 4.320 0.001 0.000 0.315 163 A C 1.975 179.666 177.584 0.177 0.000 1.874 163 A CA 1.406 53.572 52.037 0.214 0.000 0.714 163 A CB -2.051 17.190 19.000 0.401 0.000 1.335 163 A HN 1.150 nan 8.150 nan 0.000 0.382 164 C N -0.225 119.208 119.300 0.221 0.000 2.422 164 C HA 0.202 4.663 4.460 0.001 0.000 0.286 164 C C 2.668 177.725 174.990 0.111 0.000 1.412 164 C CA 1.271 60.420 59.018 0.218 0.000 1.786 164 C CB -1.525 26.396 27.740 0.302 0.000 1.835 164 C HN 0.683 nan 8.230 nan 0.000 0.533 165 S N 0.470 116.201 115.700 0.052 0.000 2.556 165 S HA 0.018 4.489 4.470 0.001 0.000 0.216 165 S C 1.839 176.453 174.600 0.023 0.000 0.970 165 S CA 0.138 58.342 58.200 0.006 0.000 0.912 165 S CB -0.089 63.121 63.200 0.017 0.000 0.790 165 S HN 0.667 nan 8.310 nan 0.000 0.504 166 S N 2.474 118.194 115.700 0.034 0.000 2.368 166 S HA -0.177 4.294 4.470 0.001 0.000 0.226 166 S C 2.236 176.855 174.600 0.031 0.000 1.044 166 S CA 1.987 60.203 58.200 0.025 0.000 1.062 166 S CB -0.456 62.772 63.200 0.046 0.000 0.931 166 S HN 0.799 nan 8.310 nan 0.000 0.440 167 S N 1.412 117.141 115.700 0.047 0.000 2.461 167 S HA 0.065 4.536 4.470 0.001 0.000 0.228 167 S C 1.524 176.136 174.600 0.020 0.000 1.005 167 S CA 0.658 58.883 58.200 0.041 0.000 0.942 167 S CB -0.365 62.871 63.200 0.060 0.000 0.776 167 S HN 0.313 nan 8.310 nan 0.000 0.514 168 N N 2.339 121.052 118.700 0.022 0.000 2.142 168 N HA -0.024 4.717 4.740 0.001 0.000 0.186 168 N C 1.252 176.734 175.510 -0.047 0.000 1.023 168 N CA 1.426 54.480 53.050 0.006 0.000 0.852 168 N CB -0.457 38.043 38.487 0.022 0.000 0.998 168 N HN 0.376 nan 8.380 nan 0.000 0.424 169 D N 0.102 120.510 120.400 0.014 0.000 2.178 169 D HA -0.047 4.594 4.640 0.001 0.000 0.202 169 D C 1.667 177.904 176.300 -0.105 0.000 0.974 169 D CA 0.849 54.859 54.000 0.017 0.000 0.841 169 D CB -0.116 40.745 40.800 0.102 0.000 0.953 169 D HN 0.261 nan 8.370 nan 0.000 0.478 170 A N 1.003 123.788 122.820 -0.057 0.000 1.858 170 A HA -0.143 4.178 4.320 0.001 0.000 0.216 170 A C 2.369 179.904 177.584 -0.082 0.000 1.190 170 A CA 0.900 52.910 52.037 -0.045 0.000 0.617 170 A CB -0.742 18.258 19.000 -0.001 0.000 0.827 170 A HN 0.157 nan 8.150 nan 0.000 0.443 171 I N -0.195 120.320 120.570 -0.091 0.000 2.226 171 I HA -0.217 3.954 4.170 0.001 0.000 0.245 171 I C 2.710 178.714 176.117 -0.187 0.000 1.100 171 I CA 1.170 62.420 61.300 -0.083 0.000 1.374 171 I CB -0.621 37.358 38.000 -0.036 0.000 1.057 171 I HN 0.405 nan 8.210 nan 0.000 0.413 172 G N 0.137 108.628 108.800 -0.515 0.000 2.440 172 G HA2 -0.344 3.617 3.960 0.001 0.000 0.218 172 G HA3 -0.344 3.617 3.960 0.001 0.000 0.218 172 G C 1.280 175.896 174.900 -0.474 0.000 1.154 172 G CA 1.391 45.837 45.100 -1.091 0.000 0.767 172 G HN 0.358 nan 8.290 nan 0.000 0.552 173 D N 0.252 120.467 120.400 -0.308 0.000 2.117 173 D HA 0.084 4.725 4.640 0.001 0.000 0.198 173 D C 2.734 179.041 176.300 0.011 0.000 0.982 173 D CA 1.275 55.247 54.000 -0.047 0.000 0.828 173 D CB -0.215 40.573 40.800 -0.020 0.000 0.967 173 D HN 0.249 nan 8.370 nan 0.000 0.464 174 A N -0.159 122.668 122.820 0.011 0.000 1.902 174 A HA -0.119 4.202 4.320 0.001 0.000 0.217 174 A C 2.091 179.740 177.584 0.109 0.000 1.181 174 A CA 1.280 53.349 52.037 0.054 0.000 0.623 174 A CB -1.157 17.872 19.000 0.048 0.000 0.818 174 A HN 0.450 nan 8.150 nan 0.000 0.443 175 F N 0.885 120.817 119.950 -0.030 0.000 2.095 175 F HA -0.206 4.322 4.527 0.002 0.000 0.298 175 F C 2.315 178.170 175.800 0.093 0.000 1.104 175 F CA 2.010 60.013 58.000 0.005 0.000 1.232 175 F CB -0.260 38.711 39.000 -0.049 0.000 0.987 175 F HN 0.051 nan 8.300 nan 0.000 0.475 176 R N 0.492 120.902 120.500 -0.148 0.000 2.096 176 R HA -0.104 4.237 4.340 0.001 0.000 0.235 176 R C 2.423 178.808 176.300 0.141 0.000 1.127 176 R CA 1.405 57.465 56.100 -0.067 0.000 0.968 176 R CB -1.265 29.105 30.300 0.118 0.000 0.861 176 R HN 0.344 nan 8.270 nan 0.000 0.440 177 S N 1.021 116.795 115.700 0.123 0.000 2.382 177 S HA -0.040 4.431 4.470 0.001 0.000 0.228 177 S C 2.067 176.796 174.600 0.216 0.000 1.027 177 S CA 0.947 59.282 58.200 0.225 0.000 0.991 177 S CB -0.102 63.178 63.200 0.133 0.000 0.823 177 S HN 0.221 nan 8.310 nan 0.000 0.469 178 I N 1.297 121.918 120.570 0.085 0.000 2.333 178 I HA -0.129 4.042 4.170 0.001 0.000 0.246 178 I C 2.455 178.548 176.117 -0.040 0.000 1.106 178 I CA 1.006 62.325 61.300 0.032 0.000 1.411 178 I CB -0.248 37.767 38.000 0.025 0.000 1.082 178 I HN 0.226 nan 8.210 nan 0.000 0.420 179 K N 1.388 121.702 120.400 -0.143 0.000 2.063 179 K HA -0.180 4.141 4.320 0.001 0.000 0.208 179 K C 1.668 178.035 176.600 -0.389 0.000 1.048 179 K CA 1.840 57.934 56.287 -0.321 0.000 0.928 179 K CB -0.182 31.950 32.500 -0.613 0.000 0.713 179 K HN 0.153 nan 8.250 nan 0.000 0.442 180 F N 0.349 120.241 119.950 -0.097 0.000 2.773 180 F HA 0.225 4.753 4.527 0.001 0.000 0.304 180 F C 1.299 176.919 175.800 -0.300 0.000 1.129 180 F CA 0.685 58.623 58.000 -0.102 0.000 1.378 180 F CB 0.615 39.656 39.000 0.068 0.000 1.095 180 F HN 0.360 nan 8.300 nan 0.000 0.565 181 G N -0.329 108.394 108.800 -0.129 0.000 2.147 181 G HA2 -0.356 3.605 3.960 0.001 0.000 0.244 181 G HA3 -0.356 3.605 3.960 0.001 0.000 0.244 181 G C 0.788 175.529 174.900 -0.265 0.000 1.005 181 G CA 0.275 45.254 45.100 -0.202 0.000 0.713 181 G HN 0.432 nan 8.290 nan 0.000 0.515 182 F N -0.014 119.965 119.950 0.048 0.000 2.512 182 F HA 0.287 4.815 4.527 0.001 0.000 0.296 182 F C 1.600 177.414 175.800 0.024 0.000 1.110 182 F CA 1.031 59.053 58.000 0.036 0.000 1.446 182 F CB 0.310 39.332 39.000 0.035 0.000 1.092 182 F HN 0.155 nan 8.300 nan 0.000 0.554 183 Q N -0.473 119.424 119.800 0.162 0.000 2.462 183 Q HA 0.192 4.533 4.340 0.001 0.000 0.285 183 Q C -0.493 175.526 176.000 0.031 0.000 1.035 183 Q CA -0.320 55.541 55.803 0.097 0.000 0.799 183 Q CB 2.060 30.860 28.738 0.103 0.000 1.452 183 Q HN -0.003 nan 8.270 nan 0.000 0.404 184 D N -0.487 119.900 120.400 -0.022 0.000 2.422 184 D HA 0.179 4.819 4.640 0.001 0.000 0.218 184 D C 0.064 176.207 176.300 -0.262 0.000 1.047 184 D CA 0.622 54.548 54.000 -0.123 0.000 0.885 184 D CB 1.499 42.208 40.800 -0.151 0.000 1.035 184 D HN 0.114 nan 8.370 nan 0.000 0.502 185 V N 1.225 121.022 119.914 -0.196 0.000 2.808 185 V HA 0.474 4.595 4.120 0.001 0.000 0.308 185 V C -0.681 175.474 176.094 0.101 0.000 1.099 185 V CA -0.584 61.611 62.300 -0.174 0.000 0.920 185 V CB 2.732 34.320 31.823 -0.392 0.000 1.014 185 V HN -0.094 nan 8.190 nan 0.000 0.425 186 M N 4.203 123.862 119.600 0.099 0.000 2.433 186 M HA 0.568 5.049 4.480 0.001 0.000 0.290 186 M C -1.551 174.819 176.300 0.117 0.000 1.173 186 M CA -0.411 54.974 55.300 0.141 0.000 0.905 186 M CB 2.794 35.438 32.600 0.073 0.000 1.692 186 M HN 0.438 nan 8.290 nan 0.000 0.462 187 L N 3.068 124.355 121.223 0.107 0.000 2.264 187 L HA 0.740 5.081 4.340 0.001 0.000 0.289 187 L C -1.063 175.815 176.870 0.014 0.000 1.044 187 L CA -0.611 54.249 54.840 0.034 0.000 0.807 187 L CB 1.478 43.523 42.059 -0.023 0.000 1.192 187 L HN 0.501 nan 8.230 nan 0.000 0.425 188 V N 3.980 123.908 119.914 0.023 0.000 2.971 188 V HA 1.009 5.130 4.120 0.001 0.000 0.309 188 V C -0.253 175.863 176.094 0.036 0.000 1.130 188 V CA 0.454 62.770 62.300 0.027 0.000 0.964 188 V CB 1.902 33.742 31.823 0.029 0.000 1.029 188 V HN 0.864 nan 8.190 nan 0.000 0.427 189 G N 3.292 112.116 108.800 0.040 0.000 2.441 189 G HA2 0.655 4.616 3.960 0.001 0.000 0.225 189 G HA3 0.655 4.616 3.960 0.001 0.000 0.225 189 G C -0.286 174.652 174.900 0.064 0.000 1.200 189 G CA 0.208 45.338 45.100 0.051 0.000 0.947 189 G HN 1.723 nan 8.290 nan 0.000 0.484 190 G N -1.835 107.015 108.800 0.083 0.000 2.684 190 G HA2 0.754 4.715 3.960 0.001 0.000 0.290 190 G HA3 0.754 4.715 3.960 0.001 0.000 0.290 190 G C -1.448 173.536 174.900 0.140 0.000 1.425 190 G CA 0.608 45.773 45.100 0.107 0.000 0.822 190 G HN 1.349 nan 8.290 nan 0.000 0.482 191 T N -0.897 113.767 114.554 0.183 0.000 2.932 191 T HA 0.642 4.993 4.350 0.001 0.000 0.318 191 T C -1.874 172.998 174.700 0.287 0.000 1.265 191 T CA -0.389 61.856 62.100 0.242 0.000 1.036 191 T CB 2.182 71.184 68.868 0.223 0.000 1.209 191 T HN 0.679 nan 8.240 nan 0.000 0.484 192 E N 1.333 121.717 120.200 0.307 0.000 2.352 192 E HA 0.720 5.071 4.350 0.001 0.000 0.280 192 E C -1.457 175.334 176.600 0.319 0.000 0.930 192 E CA -0.499 56.058 56.400 0.262 0.000 0.765 192 E CB 1.959 31.765 29.700 0.177 0.000 1.219 192 E HN 0.797 nan 8.360 nan 0.000 0.434 193 A N 2.564 125.529 122.820 0.242 0.000 3.266 193 A HA 0.401 4.721 4.320 0.001 0.000 0.310 193 A C -0.298 177.382 177.584 0.159 0.000 1.066 193 A CA -0.044 52.132 52.037 0.231 0.000 0.839 193 A CB -0.050 18.976 19.000 0.044 0.000 1.192 193 A HN 0.528 nan 8.150 nan 0.000 0.496 194 S N -0.046 115.760 115.700 0.175 0.000 2.651 194 S HA 0.318 4.789 4.470 0.001 0.000 0.246 194 S C 0.100 174.808 174.600 0.180 0.000 1.039 194 S CA -0.102 58.196 58.200 0.163 0.000 1.013 194 S CB -0.707 62.602 63.200 0.182 0.000 0.861 194 S HN 0.470 nan 8.310 nan 0.000 0.485 195 I N 3.922 124.608 120.570 0.193 0.000 2.213 195 I HA 0.208 4.379 4.170 0.001 0.000 0.295 195 I C 0.503 176.786 176.117 0.277 0.000 1.172 195 I CA 0.044 61.489 61.300 0.242 0.000 1.443 195 I CB -0.458 37.670 38.000 0.213 0.000 1.491 195 I HN 0.398 nan 8.210 nan 0.000 0.652 196 T N 0.795 115.413 114.554 0.107 0.000 2.901 196 T HA 0.442 4.793 4.350 0.001 0.000 0.293 196 T C -2.283 171.991 174.700 -0.711 0.000 1.084 196 T CA -2.011 59.983 62.100 -0.177 0.000 1.008 196 T CB 2.297 71.148 68.868 -0.027 0.000 1.170 196 T HN -0.092 nan 8.240 nan 0.000 0.509 197 P HA -0.027 nan 4.420 nan 0.000 0.215 197 P C 1.227 178.440 177.300 -0.144 0.000 1.157 197 P CA 0.686 63.277 63.100 -0.848 0.000 0.868 197 P CB -0.104 31.362 31.700 -0.389 0.000 0.788 198 F N 0.763 120.613 119.950 -0.166 0.000 2.075 198 F HA -0.156 4.372 4.527 0.001 0.000 0.297 198 F C 2.174 177.943 175.800 -0.051 0.000 1.113 198 F CA 1.738 59.691 58.000 -0.078 0.000 1.218 198 F CB -0.997 37.954 39.000 -0.081 0.000 0.984 198 F HN -0.146 nan 8.300 nan 0.000 0.472 199 A N 0.787 123.502 122.820 -0.175 0.000 1.898 199 A HA -0.103 4.218 4.320 0.001 0.000 0.216 199 A C 2.248 179.796 177.584 -0.059 0.000 1.181 199 A CA 1.653 53.572 52.037 -0.197 0.000 0.620 199 A CB -0.985 18.078 19.000 0.105 0.000 0.819 199 A HN 0.432 nan 8.150 nan 0.000 0.442 200 I N -0.031 120.557 120.570 0.030 0.000 2.202 200 I HA -0.226 3.945 4.170 0.001 0.000 0.242 200 I C 2.953 179.162 176.117 0.153 0.000 1.091 200 I CA 1.478 62.868 61.300 0.150 0.000 1.368 200 I CB -1.525 36.587 38.000 0.186 0.000 1.058 200 I HN 0.368 nan 8.210 nan 0.000 0.410 201 A N 0.971 123.883 122.820 0.153 0.000 1.933 201 A HA -0.113 4.208 4.320 0.001 0.000 0.218 201 A C 2.490 179.961 177.584 -0.189 0.000 1.175 201 A CA 1.873 53.925 52.037 0.025 0.000 0.628 201 A CB -1.281 17.683 19.000 -0.061 0.000 0.814 201 A HN 0.439 nan 8.150 nan 0.000 0.444 202 G N -1.288 107.262 108.800 -0.417 0.000 2.421 202 G HA2 -0.166 3.795 3.960 0.001 0.000 0.216 202 G HA3 -0.166 3.795 3.960 0.001 0.000 0.216 202 G C 1.406 176.059 174.900 -0.410 0.000 1.171 202 G CA 1.047 45.815 45.100 -0.553 0.000 0.775 202 G HN 0.479 nan 8.290 nan 0.000 0.543 203 F N 0.561 120.393 119.950 -0.196 0.000 2.259 203 F HA 0.019 4.547 4.527 0.001 0.000 0.298 203 F C 2.902 178.607 175.800 -0.158 0.000 1.088 203 F CA 1.323 59.224 58.000 -0.164 0.000 1.358 203 F CB 0.021 38.931 39.000 -0.151 0.000 1.040 203 F HN 0.173 nan 8.300 nan 0.000 0.505 204 Q N 0.696 120.515 119.800 0.031 0.000 2.046 204 Q HA -0.193 4.148 4.340 0.001 0.000 0.200 204 Q C 2.397 178.374 176.000 -0.037 0.000 0.975 204 Q CA 1.512 57.312 55.803 -0.003 0.000 0.836 204 Q CB -0.259 28.496 28.738 0.027 0.000 0.896 204 Q HN 0.362 nan 8.270 nan 0.000 0.428 205 A N 0.754 123.528 122.820 -0.077 0.000 1.978 205 A HA -0.177 4.144 4.320 0.001 0.000 0.220 205 A C 1.920 179.466 177.584 -0.062 0.000 1.170 205 A CA 1.238 53.223 52.037 -0.085 0.000 0.636 205 A CB -0.606 18.321 19.000 -0.121 0.000 0.810 205 A HN 0.482 nan 8.150 nan 0.000 0.448 206 L N 0.156 121.342 121.223 -0.063 0.000 2.465 206 L HA -0.001 4.339 4.340 0.001 0.000 0.224 206 L C 1.492 178.379 176.870 0.029 0.000 1.145 206 L CA 2.325 57.150 54.840 -0.025 0.000 0.834 206 L CB -0.783 41.253 42.059 -0.039 0.000 0.944 206 L HN 0.962 nan 8.230 nan 0.000 0.451 207 T N -5.675 108.890 114.554 0.018 0.000 4.886 207 T HA -0.280 4.071 4.350 0.001 0.000 0.295 207 T C 0.946 175.674 174.700 0.046 0.000 1.495 207 T CA 0.937 63.050 62.100 0.022 0.000 2.670 207 T CB -2.538 66.345 68.868 0.026 0.000 1.686 207 T HN 0.547 nan 8.240 nan 0.000 0.981 208 A N 0.034 122.894 122.820 0.068 0.000 2.178 208 A HA 0.663 4.984 4.320 0.001 0.000 0.211 208 A C 1.081 178.572 177.584 -0.155 0.000 1.157 208 A CA 0.247 52.352 52.037 0.112 0.000 0.780 208 A CB 0.151 19.377 19.000 0.376 0.000 0.828 208 A HN 0.755 nan 8.150 nan 0.000 0.476 209 L N 0.082 121.150 121.223 -0.259 0.000 2.343 209 L HA 0.353 4.693 4.340 0.001 0.000 0.275 209 L C 0.680 177.443 176.870 -0.178 0.000 1.056 209 L CA -0.566 54.034 54.840 -0.401 0.000 0.804 209 L CB 1.644 43.494 42.059 -0.349 0.000 1.203 209 L HN 0.162 nan 8.230 nan 0.000 0.440 210 S N -0.038 115.574 115.700 -0.147 0.000 2.528 210 S HA 0.112 4.583 4.470 0.001 0.000 0.277 210 S C 0.903 175.469 174.600 -0.057 0.000 1.297 210 S CA -0.314 57.847 58.200 -0.066 0.000 1.052 210 S CB 0.678 63.855 63.200 -0.038 0.000 0.917 210 S HN 0.751 nan 8.310 nan 0.000 0.492 211 T N 1.230 115.767 114.554 -0.028 0.000 3.105 211 T HA 0.179 4.530 4.350 0.001 0.000 0.253 211 T C 0.477 175.188 174.700 0.017 0.000 1.047 211 T CA -0.346 61.749 62.100 -0.008 0.000 0.944 211 T CB -0.516 68.355 68.868 0.004 0.000 1.016 211 T HN 0.552 nan 8.240 nan 0.000 0.544 212 T N 3.120 117.676 114.554 0.004 0.000 2.831 212 T HA 0.047 4.398 4.350 0.001 0.000 0.291 212 T C 1.208 175.920 174.700 0.020 0.000 0.981 212 T CA 0.110 62.216 62.100 0.009 0.000 1.174 212 T CB 1.131 69.996 68.868 -0.005 0.000 0.929 212 T HN 0.505 nan 8.240 nan 0.000 0.532 213 E N 2.432 122.652 120.200 0.032 0.000 2.051 213 E HA -0.167 4.184 4.350 0.001 0.000 0.192 213 E C 0.796 177.405 176.600 0.015 0.000 0.991 213 E CA 0.619 57.043 56.400 0.040 0.000 0.799 213 E CB 0.149 29.869 29.700 0.034 0.000 0.748 213 E HN 0.623 nan 8.360 nan 0.000 0.449 214 D N 0.813 121.214 120.400 0.002 0.000 2.389 214 D HA -0.030 4.610 4.640 0.001 0.000 0.263 214 D C -1.659 174.631 176.300 -0.017 0.000 1.255 214 D CA -1.763 52.231 54.000 -0.010 0.000 0.914 214 D CB 1.324 42.116 40.800 -0.014 0.000 1.116 214 D HN 0.064 nan 8.370 nan 0.000 0.502 215 P HA -0.097 nan 4.420 nan 0.000 0.230 215 P C 0.992 178.267 177.300 -0.042 0.000 1.158 215 P CA 0.888 63.971 63.100 -0.029 0.000 0.769 215 P CB -0.097 31.586 31.700 -0.029 0.000 0.807 216 T N -4.414 110.113 114.554 -0.045 0.000 3.100 216 T HA 0.145 4.496 4.350 0.001 0.000 0.253 216 T C 1.512 176.173 174.700 -0.064 0.000 1.118 216 T CA 0.209 62.271 62.100 -0.063 0.000 1.058 216 T CB -0.241 68.592 68.868 -0.059 0.000 0.953 216 T HN -0.080 nan 8.240 nan 0.000 0.515 217 R N -0.350 120.122 120.500 -0.047 0.000 2.549 217 R HA 0.548 4.889 4.340 0.001 0.000 0.344 217 R C 1.833 178.111 176.300 -0.037 0.000 0.979 217 R CA 0.554 56.628 56.100 -0.044 0.000 1.140 217 R CB 0.176 30.455 30.300 -0.035 0.000 1.377 217 R HN 0.458 nan 8.270 nan 0.000 0.541 218 A N 0.471 123.270 122.820 -0.034 0.000 1.898 218 A HA 0.042 4.363 4.320 0.001 0.000 0.214 218 A C 1.161 178.733 177.584 -0.021 0.000 1.183 218 A CA 0.944 52.966 52.037 -0.025 0.000 0.622 218 A CB 0.154 19.141 19.000 -0.022 0.000 0.824 218 A HN 0.092 nan 8.150 nan 0.000 0.444 219 S N 0.563 116.247 115.700 -0.027 0.000 2.528 219 S HA 0.559 5.030 4.470 0.001 0.000 0.303 219 S C -0.357 174.217 174.600 -0.043 0.000 1.123 219 S CA -0.622 57.567 58.200 -0.019 0.000 1.138 219 S CB -0.357 62.841 63.200 -0.004 0.000 0.984 219 S HN 0.520 nan 8.310 nan 0.000 0.474 220 I N 2.106 122.650 120.570 -0.042 0.000 2.862 220 I HA 0.478 4.649 4.170 0.001 0.000 0.285 220 I C -2.987 173.105 176.117 -0.043 0.000 1.339 220 I CA -2.619 58.654 61.300 -0.046 0.000 1.002 220 I CB 0.994 38.960 38.000 -0.055 0.000 1.618 220 I HN 0.221 nan 8.210 nan 0.000 0.593 221 P HA 0.139 nan 4.420 nan 0.000 0.264 221 P C -0.078 177.224 177.300 0.004 0.000 1.183 221 P CA 0.694 63.708 63.100 -0.142 0.000 0.763 221 P CB 0.082 31.718 31.700 -0.106 0.000 0.807 222 F N -1.611 118.319 119.950 -0.035 0.000 2.590 222 F HA -0.261 4.267 4.527 0.001 0.000 0.471 222 F C 0.962 176.687 175.800 -0.125 0.000 0.551 222 F CA 0.925 58.890 58.000 -0.058 0.000 1.228 222 F CB -1.483 37.490 39.000 -0.043 0.000 1.862 222 F HN 0.319 nan 8.300 nan 0.000 0.271 223 D N 2.314 122.715 120.400 0.001 0.000 2.414 223 D HA 0.058 4.699 4.640 0.001 0.000 0.242 223 D C 1.282 177.534 176.300 -0.081 0.000 1.129 223 D CA 0.682 54.631 54.000 -0.085 0.000 0.885 223 D CB 0.992 41.736 40.800 -0.093 0.000 1.198 223 D HN 0.527 nan 8.370 nan 0.000 0.437 224 K N 2.416 122.751 120.400 -0.108 0.000 2.281 224 K HA -0.151 4.170 4.320 0.001 0.000 0.203 224 K C 0.359 176.931 176.600 -0.046 0.000 1.046 224 K CA 1.159 57.391 56.287 -0.091 0.000 0.938 224 K CB 0.229 32.668 32.500 -0.102 0.000 0.737 224 K HN 0.226 nan 8.250 nan 0.000 0.458 225 D N 1.765 122.137 120.400 -0.047 0.000 2.342 225 D HA -0.004 4.637 4.640 0.001 0.000 0.221 225 D C 0.040 176.327 176.300 -0.022 0.000 1.101 225 D CA -0.000 53.983 54.000 -0.028 0.000 0.837 225 D CB 0.070 40.851 40.800 -0.032 0.000 0.938 225 D HN 0.368 nan 8.370 nan 0.000 0.508 226 R N 1.434 121.919 120.500 -0.025 0.000 2.698 226 R HA 0.066 4.407 4.340 0.001 0.000 0.266 226 R C 0.202 176.500 176.300 -0.003 0.000 1.026 226 R CA 0.304 56.391 56.100 -0.021 0.000 1.102 226 R CB -0.213 30.065 30.300 -0.036 0.000 0.978 226 R HN 0.043 nan 8.270 nan 0.000 0.436 227 N N 0.512 119.212 118.700 0.000 0.000 2.527 227 N HA 0.246 4.987 4.740 0.001 0.000 0.279 227 N C -0.577 174.940 175.510 0.012 0.000 1.571 227 N CA -0.348 52.708 53.050 0.010 0.000 0.858 227 N CB 1.245 39.735 38.487 0.004 0.000 1.422 227 N HN 0.950 nan 8.380 nan 0.000 0.491 228 G N 0.824 109.642 108.800 0.029 0.000 2.357 228 G HA2 0.081 4.042 3.960 0.001 0.000 0.643 228 G HA3 0.081 4.042 3.960 0.001 0.000 0.643 228 G C -0.866 174.081 174.900 0.077 0.000 1.358 228 G CA -0.864 44.263 45.100 0.046 0.000 0.986 228 G HN 0.328 nan 8.290 nan 0.000 0.620 229 F N -0.441 119.516 119.950 0.012 0.000 2.368 229 F HA 0.850 5.378 4.527 0.002 0.000 0.315 229 F C 0.104 175.901 175.800 -0.005 0.000 1.145 229 F CA -1.416 56.580 58.000 -0.007 0.000 1.095 229 F CB 1.401 40.414 39.000 0.022 0.000 1.286 229 F HN 0.423 nan 8.300 nan 0.000 0.530 230 V N 4.003 124.095 119.914 0.297 0.000 2.409 230 V HA 0.245 4.366 4.120 0.001 0.000 0.291 230 V C 0.107 176.401 176.094 0.335 0.000 1.020 230 V CA -0.847 61.544 62.300 0.152 0.000 0.848 230 V CB 1.375 33.246 31.823 0.080 0.000 0.990 230 V HN 0.956 nan 8.190 nan 0.000 0.430 231 M N 3.700 123.441 119.600 0.235 0.000 2.238 231 M HA 0.518 4.999 4.480 0.001 0.000 0.347 231 M C 0.557 176.962 176.300 0.174 0.000 1.173 231 M CA 0.368 55.838 55.300 0.283 0.000 1.147 231 M CB 0.784 33.507 32.600 0.204 0.000 1.547 231 M HN 0.836 nan 8.290 nan 0.000 0.455 232 G N 3.089 111.985 108.800 0.160 0.000 3.108 232 G HA2 0.740 4.701 3.960 0.001 0.000 0.268 232 G HA3 0.740 4.701 3.960 0.001 0.000 0.268 232 G C -1.736 173.241 174.900 0.128 0.000 1.361 232 G CA -0.603 44.575 45.100 0.130 0.000 1.047 232 G HN 0.785 nan 8.290 nan 0.000 0.540 233 E N -2.391 117.879 120.200 0.116 0.000 2.423 233 E HA 0.682 5.033 4.350 0.001 0.000 0.280 233 E C -0.285 176.343 176.600 0.047 0.000 1.030 233 E CA -0.647 55.837 56.400 0.140 0.000 0.812 233 E CB 1.762 31.585 29.700 0.205 0.000 1.313 233 E HN 1.795 nan 8.360 nan 0.000 0.456 234 G N 0.086 108.920 108.800 0.057 0.000 2.340 234 G HA2 0.344 4.305 3.960 0.001 0.000 0.282 234 G HA3 0.344 4.305 3.960 0.001 0.000 0.282 234 G C -1.361 173.608 174.900 0.114 0.000 1.312 234 G CA -0.263 44.770 45.100 -0.111 0.000 0.942 234 G HN 0.878 nan 8.290 nan 0.000 0.495 235 S N -1.543 114.216 115.700 0.098 0.000 2.537 235 S HA 0.822 5.292 4.470 0.001 0.000 0.270 235 S C -0.210 174.453 174.600 0.105 0.000 1.142 235 S CA 0.620 58.914 58.200 0.158 0.000 0.870 235 S CB 1.496 64.841 63.200 0.242 0.000 1.112 235 S HN 2.231 nan 8.310 nan 0.000 0.466 236 G N 3.014 111.861 108.800 0.078 0.000 2.566 236 G HA2 0.678 4.639 3.960 0.001 0.000 0.311 236 G HA3 0.678 4.639 3.960 0.001 0.000 0.311 236 G C -1.261 173.671 174.900 0.055 0.000 1.322 236 G CA -0.487 44.630 45.100 0.028 0.000 0.969 236 G HN 0.527 nan 8.290 nan 0.000 0.490 237 M N 1.413 121.048 119.600 0.058 0.000 2.386 237 M HA 0.524 5.005 4.480 0.001 0.000 0.293 237 M C -1.443 174.902 176.300 0.075 0.000 1.120 237 M CA -0.667 54.666 55.300 0.055 0.000 0.909 237 M CB 1.951 34.577 32.600 0.043 0.000 1.661 237 M HN 0.273 nan 8.290 nan 0.000 0.452 238 L N 1.944 123.207 121.223 0.067 0.000 2.341 238 L HA 0.733 5.074 4.340 0.001 0.000 0.267 238 L C -0.390 176.506 176.870 0.044 0.000 1.009 238 L CA -0.736 54.164 54.840 0.100 0.000 0.819 238 L CB 2.014 44.135 42.059 0.104 0.000 1.323 238 L HN 0.390 nan 8.230 nan 0.000 0.425 239 V N 3.525 123.452 119.914 0.021 0.000 2.383 239 V HA 0.453 4.574 4.120 0.001 0.000 0.275 239 V C -0.071 176.018 176.094 -0.008 0.000 1.036 239 V CA -0.456 61.829 62.300 -0.025 0.000 0.889 239 V CB 1.290 33.057 31.823 -0.093 0.000 0.985 239 V HN 0.449 nan 8.190 nan 0.000 0.459 240 L N 5.220 126.447 121.223 0.006 0.000 2.334 240 L HA 0.708 5.049 4.340 0.001 0.000 0.276 240 L C -0.149 176.706 176.870 -0.024 0.000 1.014 240 L CA -0.479 54.370 54.840 0.015 0.000 0.815 240 L CB 2.040 44.136 42.059 0.061 0.000 1.268 240 L HN 0.630 nan 8.230 nan 0.000 0.428 241 E N 0.520 120.699 120.200 -0.035 0.000 2.408 241 E HA 0.316 4.666 4.350 0.001 0.000 0.275 241 E C -1.046 175.543 176.600 -0.020 0.000 0.935 241 E CA -0.739 55.624 56.400 -0.062 0.000 0.775 241 E CB 2.401 32.080 29.700 -0.035 0.000 1.277 241 E HN 0.654 nan 8.360 nan 0.000 0.455 242 S N 0.795 116.489 115.700 -0.010 0.000 2.584 242 S HA 0.010 4.481 4.470 0.001 0.000 0.270 242 S C 0.991 175.603 174.600 0.021 0.000 1.346 242 S CA -0.529 57.680 58.200 0.016 0.000 1.018 242 S CB 0.741 63.955 63.200 0.023 0.000 0.899 242 S HN 0.594 nan 8.310 nan 0.000 0.542 243 L N 1.081 122.312 121.223 0.014 0.000 2.083 243 L HA -0.030 4.311 4.340 0.001 0.000 0.209 243 L C 2.492 179.368 176.870 0.010 0.000 1.083 243 L CA 2.205 57.045 54.840 -0.001 0.000 0.752 243 L CB -1.158 40.934 42.059 0.055 0.000 0.899 243 L HN 1.018 nan 8.230 nan 0.000 0.433 244 E N -1.453 118.763 120.200 0.026 0.000 2.058 244 E HA -0.319 4.032 4.350 0.001 0.000 0.194 244 E C 2.256 178.862 176.600 0.010 0.000 0.997 244 E CA 1.287 57.698 56.400 0.017 0.000 0.801 244 E CB -0.349 29.361 29.700 0.018 0.000 0.746 244 E HN 0.707 nan 8.360 nan 0.000 0.450 245 H N -0.024 119.016 119.070 -0.049 0.000 2.319 245 H HA -0.104 4.453 4.556 0.001 0.000 0.299 245 H C 1.847 177.126 175.328 -0.081 0.000 1.092 245 H CA 1.816 57.827 56.048 -0.062 0.000 1.302 245 H CB -0.041 29.683 29.762 -0.063 0.000 1.373 245 H HN 0.288 nan 8.280 nan 0.000 0.497 246 A N 0.913 123.747 122.820 0.023 0.000 1.902 246 A HA -0.154 4.167 4.320 0.001 0.000 0.217 246 A C 2.393 179.912 177.584 -0.109 0.000 1.181 246 A CA 1.624 53.624 52.037 -0.062 0.000 0.623 246 A CB -0.451 18.483 19.000 -0.109 0.000 0.818 246 A HN 0.573 nan 8.150 nan 0.000 0.443 247 E N -0.288 119.864 120.200 -0.080 0.000 2.106 247 E HA -0.143 4.208 4.350 0.001 0.000 0.192 247 E C 1.994 178.547 176.600 -0.079 0.000 0.984 247 E CA 1.067 57.432 56.400 -0.058 0.000 0.806 247 E CB -0.096 29.597 29.700 -0.012 0.000 0.750 247 E HN 0.553 nan 8.360 nan 0.000 0.458 248 K N 0.535 120.870 120.400 -0.110 0.000 2.147 248 K HA -0.163 4.158 4.320 0.001 0.000 0.205 248 K C 2.063 178.572 176.600 -0.152 0.000 1.049 248 K CA 1.318 57.528 56.287 -0.129 0.000 0.936 248 K CB -0.076 32.330 32.500 -0.156 0.000 0.722 248 K HN 0.119 nan 8.250 nan 0.000 0.446 249 R N -0.473 119.911 120.500 -0.193 0.000 2.334 249 R HA 0.126 4.467 4.340 0.001 0.000 0.216 249 R C 0.647 176.876 176.300 -0.119 0.000 0.905 249 R CA 0.609 56.607 56.100 -0.170 0.000 1.064 249 R CB 0.278 30.444 30.300 -0.223 0.000 1.046 249 R HN 0.088 nan 8.270 nan 0.000 0.508 250 G N 0.818 109.557 108.800 -0.102 0.000 2.198 250 G HA2 -0.309 3.652 3.960 0.001 0.000 0.257 250 G HA3 -0.309 3.652 3.960 0.001 0.000 0.257 250 G C 0.265 175.112 174.900 -0.089 0.000 1.042 250 G CA 0.114 45.167 45.100 -0.078 0.000 0.791 250 G HN 0.700 nan 8.290 nan 0.000 0.502 251 A N -0.380 122.373 122.820 -0.112 0.000 2.425 251 A HA 0.682 5.003 4.320 0.001 0.000 0.242 251 A C 0.859 178.356 177.584 -0.145 0.000 1.077 251 A CA 0.970 52.928 52.037 -0.133 0.000 0.781 251 A CB 0.441 19.352 19.000 -0.149 0.000 1.020 251 A HN 0.829 nan 8.150 nan 0.000 0.494 252 T N 2.490 116.947 114.554 -0.161 0.000 2.728 252 T HA 0.410 4.761 4.350 0.001 0.000 0.296 252 T C 0.098 174.647 174.700 -0.253 0.000 0.940 252 T CA 0.287 62.291 62.100 -0.161 0.000 1.013 252 T CB -0.192 68.595 68.868 -0.135 0.000 0.912 252 T HN 0.387 nan 8.240 nan 0.000 0.484 253 I N 4.360 124.721 120.570 -0.348 0.000 2.371 253 I HA 0.174 4.345 4.170 0.001 0.000 0.290 253 I C 1.113 176.980 176.117 -0.417 0.000 1.028 253 I CA -0.206 60.731 61.300 -0.605 0.000 1.345 253 I CB 1.063 38.273 38.000 -1.318 0.000 1.407 253 I HN 0.596 nan 8.210 nan 0.000 0.501 254 L N 6.014 127.076 121.223 -0.268 0.000 2.408 254 L HA 0.466 4.807 4.340 0.001 0.000 0.215 254 L C 0.790 177.694 176.870 0.058 0.000 1.081 254 L CA 0.171 54.971 54.840 -0.068 0.000 0.840 254 L CB -0.047 41.991 42.059 -0.034 0.000 1.002 254 L HN 0.776 nan 8.230 nan 0.000 0.468 255 A N -0.274 122.563 122.820 0.029 0.000 2.515 255 A HA 0.556 4.877 4.320 0.001 0.000 0.292 255 A C -1.652 176.010 177.584 0.130 0.000 1.065 255 A CA -0.495 51.633 52.037 0.152 0.000 0.641 255 A CB 1.445 20.525 19.000 0.133 0.000 1.306 255 A HN -0.011 nan 8.150 nan 0.000 0.441 256 E N 0.055 120.399 120.200 0.240 0.000 2.293 256 E HA 0.611 4.962 4.350 0.001 0.000 0.270 256 E C -1.683 175.027 176.600 0.183 0.000 0.879 256 E CA -0.636 55.893 56.400 0.215 0.000 0.756 256 E CB 2.146 32.049 29.700 0.338 0.000 1.208 256 E HN 0.523 nan 8.360 nan 0.000 0.428 257 V N 4.954 124.913 119.914 0.075 0.000 2.383 257 V HA 0.136 4.257 4.120 0.001 0.000 0.275 257 V C 0.942 176.865 176.094 -0.285 0.000 1.036 257 V CA -0.234 61.925 62.300 -0.235 0.000 0.889 257 V CB 1.032 32.629 31.823 -0.378 0.000 0.985 257 V HN 0.699 nan 8.190 nan 0.000 0.459 258 V N 1.559 121.274 119.914 -0.332 0.000 3.612 258 V HA 0.723 4.843 4.120 0.001 0.000 0.268 258 V C 0.660 176.689 176.094 -0.107 0.000 1.365 258 V CA 0.640 62.892 62.300 -0.081 0.000 1.044 258 V CB 0.311 32.214 31.823 0.132 0.000 0.820 258 V HN 0.877 nan 8.190 nan 0.000 0.444 259 G N -0.646 107.927 108.800 -0.379 0.000 2.720 259 G HA2 0.558 4.519 3.960 0.001 0.000 0.295 259 G HA3 0.558 4.519 3.960 0.001 0.000 0.295 259 G C -2.485 172.332 174.900 -0.139 0.000 1.437 259 G CA -0.617 44.414 45.100 -0.115 0.000 0.886 259 G HN 0.351 nan 8.290 nan 0.000 0.509 260 Y N 0.448 120.728 120.300 -0.034 0.000 2.401 260 Y HA 0.702 5.253 4.550 0.001 0.000 0.330 260 Y C -0.280 175.651 175.900 0.051 0.000 1.071 260 Y CA -1.125 56.969 58.100 -0.009 0.000 1.049 260 Y CB 1.994 40.537 38.460 0.137 0.000 1.239 260 Y HN 0.938 nan 8.280 nan 0.000 0.437 261 G N 5.365 114.049 108.800 -0.194 0.000 2.590 261 G HA2 0.498 4.458 3.960 0.001 0.000 0.310 261 G HA3 0.498 4.458 3.960 0.001 0.000 0.310 261 G C -1.859 172.820 174.900 -0.368 0.000 1.347 261 G CA -1.107 43.824 45.100 -0.283 0.000 0.963 261 G HN 0.784 nan 8.290 nan 0.000 0.494 262 N N 0.416 118.878 118.700 -0.396 0.000 2.430 262 N HA 0.640 5.381 4.740 0.001 0.000 0.290 262 N C -0.482 174.977 175.510 -0.086 0.000 1.063 262 N CA -0.656 52.270 53.050 -0.206 0.000 0.883 262 N CB 2.079 40.431 38.487 -0.226 0.000 1.465 262 N HN 0.613 nan 8.380 nan 0.000 0.493 263 T N -2.073 112.482 114.554 0.002 0.000 2.804 263 T HA 0.651 5.002 4.350 0.001 0.000 0.290 263 T C -1.015 173.717 174.700 0.053 0.000 1.099 263 T CA -0.757 61.351 62.100 0.013 0.000 1.011 263 T CB 1.495 70.362 68.868 -0.000 0.000 1.291 263 T HN 0.711 nan 8.240 nan 0.000 0.523 264 C N 0.910 120.228 119.300 0.030 0.000 2.482 264 C HA 0.599 5.060 4.460 0.001 0.000 0.317 264 C C 0.932 175.925 174.990 0.005 0.000 1.197 264 C CA -0.411 58.623 59.018 0.025 0.000 1.432 264 C CB 0.621 28.374 27.740 0.023 0.000 2.062 264 C HN 0.991 nan 8.230 nan 0.000 0.471 265 D N 2.736 123.146 120.400 0.016 0.000 2.144 265 D HA 0.051 4.692 4.640 0.001 0.000 0.200 265 D C 1.566 177.915 176.300 0.082 0.000 0.978 265 D CA 1.756 55.778 54.000 0.036 0.000 0.833 265 D CB -0.151 40.721 40.800 0.120 0.000 0.961 265 D HN 1.127 nan 8.370 nan 0.000 0.470 266 A N -0.570 122.292 122.820 0.071 0.000 2.560 266 A HA -0.280 4.041 4.320 0.001 0.000 0.299 266 A C 0.596 178.272 177.584 0.153 0.000 1.484 266 A CA 1.467 53.545 52.037 0.069 0.000 0.749 266 A CB -2.251 16.773 19.000 0.039 0.000 1.072 266 A HN 0.528 nan 8.150 nan 0.000 0.426 267 Y N -0.972 119.361 120.300 0.055 0.000 2.817 267 Y HA 0.432 4.983 4.550 0.001 0.000 0.257 267 Y C 0.744 176.737 175.900 0.155 0.000 1.055 267 Y CA 1.157 59.327 58.100 0.116 0.000 1.319 267 Y CB 0.631 39.198 38.460 0.178 0.000 1.481 267 Y HN 0.719 nan 8.280 nan 0.000 0.471 268 H N -0.050 118.920 119.070 -0.168 0.000 3.046 268 H HA 0.303 4.859 4.556 0.001 0.000 0.361 268 H C 0.219 175.546 175.328 -0.003 0.000 1.235 268 H CA -0.239 55.666 56.048 -0.238 0.000 1.146 268 H CB 1.925 31.460 29.762 -0.379 0.000 1.859 268 H HN 0.330 nan 8.280 nan 0.000 0.548 269 M N 1.102 120.539 119.600 -0.271 0.000 2.229 269 M HA -0.094 4.387 4.480 0.001 0.000 0.264 269 M C 1.490 177.947 176.300 0.261 0.000 1.063 269 M CA 2.432 57.720 55.300 -0.021 0.000 1.114 269 M CB -0.030 32.501 32.600 -0.115 0.000 1.387 269 M HN 0.667 nan 8.290 nan 0.000 0.420 270 T N -5.305 109.553 114.554 0.506 0.000 2.964 270 T HA 0.212 4.563 4.350 0.001 0.000 0.250 270 T C 0.747 175.769 174.700 0.537 0.000 0.982 270 T CA -0.367 62.110 62.100 0.630 0.000 0.959 270 T CB 0.110 69.266 68.868 0.480 0.000 1.141 270 T HN 0.027 nan 8.240 nan 0.000 0.494 271 S N 4.220 120.190 115.700 0.450 0.000 2.513 271 S HA 0.522 4.993 4.470 0.001 0.000 0.276 271 S C -2.429 172.349 174.600 0.297 0.000 1.254 271 S CA -1.003 57.312 58.200 0.193 0.000 1.053 271 S CB 1.079 64.189 63.200 -0.150 0.000 0.958 271 S HN 0.365 nan 8.310 nan 0.000 0.491 272 P HA 0.052 nan 4.420 nan 0.000 0.276 272 P C -0.499 176.777 177.300 -0.041 0.000 1.244 272 P CA -0.466 62.689 63.100 0.092 0.000 0.801 272 P CB 0.364 32.054 31.700 -0.016 0.000 1.006 273 H N 3.055 121.972 119.070 -0.256 0.000 3.107 273 H HA 0.012 4.569 4.556 0.002 0.000 0.301 273 H C -1.367 173.690 175.328 -0.453 0.000 0.981 273 H CA -0.796 54.852 56.048 -0.666 0.000 1.443 273 H CB 0.392 29.873 29.762 -0.467 0.000 1.479 273 H HN 0.182 nan 8.280 nan 0.000 0.564 274 P HA -0.132 nan 4.420 nan 0.000 0.217 274 P C 0.416 177.509 177.300 -0.345 0.000 1.148 274 P CA 1.393 64.184 63.100 -0.515 0.000 0.828 274 P CB 0.214 31.631 31.700 -0.473 0.000 0.783 275 E N -1.400 118.605 120.200 -0.325 0.000 2.437 275 E HA 0.232 4.583 4.350 0.001 0.000 0.189 275 E C 1.012 177.639 176.600 0.044 0.000 1.054 275 E CA 0.140 56.517 56.400 -0.038 0.000 0.874 275 E CB -0.521 29.218 29.700 0.066 0.000 1.011 275 E HN 0.110 nan 8.360 nan 0.000 0.474 276 G N 2.252 111.067 108.800 0.025 0.000 2.321 276 G HA2 -0.401 3.560 3.960 0.001 0.000 0.287 276 G HA3 -0.401 3.560 3.960 0.001 0.000 0.287 276 G C 0.865 175.705 174.900 -0.100 0.000 1.018 276 G CA 0.941 45.985 45.100 -0.094 0.000 0.855 276 G HN 0.269 nan 8.290 nan 0.000 0.507 277 Q N -0.100 119.648 119.800 -0.087 0.000 2.096 277 Q HA 0.045 4.386 4.340 0.001 0.000 0.204 277 Q C 2.785 178.682 176.000 -0.171 0.000 0.982 277 Q CA 2.823 58.514 55.803 -0.187 0.000 0.850 277 Q CB -0.826 27.688 28.738 -0.374 0.000 0.901 277 Q HN 0.655 nan 8.270 nan 0.000 0.422 278 G N -0.491 108.198 108.800 -0.186 0.000 2.408 278 G HA2 -0.173 3.788 3.960 0.001 0.000 0.217 278 G HA3 -0.173 3.788 3.960 0.001 0.000 0.217 278 G C 1.434 176.288 174.900 -0.076 0.000 1.150 278 G CA 0.826 45.859 45.100 -0.112 0.000 0.776 278 G HN 0.491 nan 8.290 nan 0.000 0.542 279 A N 0.833 123.553 122.820 -0.166 0.000 1.902 279 A HA 0.040 4.361 4.320 0.001 0.000 0.217 279 A C 2.385 179.958 177.584 -0.018 0.000 1.181 279 A CA 1.246 53.185 52.037 -0.163 0.000 0.623 279 A CB -0.379 18.230 19.000 -0.653 0.000 0.818 279 A HN 0.361 nan 8.150 nan 0.000 0.443 280 I N -0.480 120.055 120.570 -0.059 0.000 2.163 280 I HA -0.311 3.860 4.170 0.001 0.000 0.243 280 I C 2.482 178.594 176.117 -0.008 0.000 1.085 280 I CA 1.825 63.112 61.300 -0.022 0.000 1.347 280 I CB -0.238 37.739 38.000 -0.038 0.000 1.044 280 I HN 0.302 nan 8.210 nan 0.000 0.408 281 K N 0.662 121.048 120.400 -0.024 0.000 2.097 281 K HA -0.130 4.191 4.320 0.001 0.000 0.206 281 K C 2.229 178.827 176.600 -0.005 0.000 1.049 281 K CA 1.445 57.720 56.287 -0.020 0.000 0.933 281 K CB -0.282 32.197 32.500 -0.036 0.000 0.717 281 K HN 0.321 nan 8.250 nan 0.000 0.442 282 A N 1.408 124.240 122.820 0.020 0.000 1.902 282 A HA -0.143 4.178 4.320 0.001 0.000 0.217 282 A C 2.131 179.738 177.584 0.037 0.000 1.181 282 A CA 1.278 53.334 52.037 0.033 0.000 0.623 282 A CB -0.583 18.481 19.000 0.107 0.000 0.818 282 A HN 0.167 nan 8.150 nan 0.000 0.443 283 I N -0.546 120.064 120.570 0.066 0.000 2.179 283 I HA -0.286 3.885 4.170 0.001 0.000 0.242 283 I C 2.495 178.624 176.117 0.020 0.000 1.088 283 I CA 1.674 63.007 61.300 0.054 0.000 1.357 283 I CB -0.326 37.716 38.000 0.071 0.000 1.051 283 I HN 0.286 nan 8.210 nan 0.000 0.409 284 K N 0.704 121.110 120.400 0.012 0.000 2.063 284 K HA -0.168 4.153 4.320 0.001 0.000 0.208 284 K C 2.124 178.721 176.600 -0.005 0.000 1.048 284 K CA 1.346 57.632 56.287 -0.001 0.000 0.928 284 K CB -0.235 32.262 32.500 -0.005 0.000 0.713 284 K HN 0.286 nan 8.250 nan 0.000 0.442 285 L N 0.292 121.509 121.223 -0.010 0.000 2.046 285 L HA -0.209 4.132 4.340 0.001 0.000 0.208 285 L C 2.557 179.426 176.870 -0.003 0.000 1.077 285 L CA 1.188 56.019 54.840 -0.015 0.000 0.747 285 L CB -0.519 41.513 42.059 -0.046 0.000 0.896 285 L HN 0.231 nan 8.230 nan 0.000 0.432 286 A N -0.085 122.732 122.820 -0.006 0.000 1.898 286 A HA -0.133 4.188 4.320 0.001 0.000 0.216 286 A C 2.220 179.801 177.584 -0.004 0.000 1.181 286 A CA 1.236 53.274 52.037 0.001 0.000 0.620 286 A CB -0.580 18.413 19.000 -0.011 0.000 0.819 286 A HN 0.356 nan 8.150 nan 0.000 0.442 287 L N -0.774 120.441 121.223 -0.013 0.000 2.093 287 L HA -0.184 4.157 4.340 0.001 0.000 0.208 287 L C 2.543 179.398 176.870 -0.025 0.000 1.085 287 L CA 1.568 56.389 54.840 -0.032 0.000 0.755 287 L CB -0.696 41.343 42.059 -0.034 0.000 0.904 287 L HN 0.481 nan 8.230 nan 0.000 0.435 288 E N 0.133 120.330 120.200 -0.005 0.000 2.077 288 E HA -0.274 4.077 4.350 0.001 0.000 0.193 288 E C 2.038 178.656 176.600 0.030 0.000 0.989 288 E CA 1.277 57.681 56.400 0.007 0.000 0.800 288 E CB -0.036 29.671 29.700 0.010 0.000 0.746 288 E HN 0.458 nan 8.360 nan 0.000 0.452 289 E N 0.727 120.959 120.200 0.055 0.000 2.106 289 E HA -0.151 4.200 4.350 0.001 0.000 0.192 289 E C 1.883 178.544 176.600 0.101 0.000 0.984 289 E CA 0.969 57.432 56.400 0.105 0.000 0.806 289 E CB -0.037 29.770 29.700 0.177 0.000 0.750 289 E HN 0.220 nan 8.360 nan 0.000 0.458 290 A N 0.594 123.448 122.820 0.058 0.000 2.168 290 A HA -0.074 4.247 4.320 0.001 0.000 0.215 290 A C 0.400 177.987 177.584 0.004 0.000 1.152 290 A CA 0.888 52.950 52.037 0.042 0.000 0.716 290 A CB -0.300 18.694 19.000 -0.010 0.000 0.794 290 A HN 0.437 nan 8.150 nan 0.000 0.465 291 E N -1.069 119.126 120.200 -0.009 0.000 2.320 291 E HA -0.206 4.145 4.350 0.001 0.000 0.234 291 E C -0.275 176.274 176.600 -0.085 0.000 1.183 291 E CA 0.736 57.121 56.400 -0.025 0.000 0.713 291 E CB -1.969 27.733 29.700 0.004 0.000 1.226 291 E HN 0.894 nan 8.360 nan 0.000 0.382 292 I N -3.010 117.474 120.570 -0.142 0.000 2.785 292 I HA 0.618 4.789 4.170 0.001 0.000 0.302 292 I C 0.471 176.499 176.117 -0.148 0.000 1.069 292 I CA -1.001 60.159 61.300 -0.234 0.000 1.045 292 I CB 2.099 39.784 38.000 -0.525 0.000 1.236 292 I HN -0.003 nan 8.210 nan 0.000 0.429 293 S N 2.322 117.946 115.700 -0.127 0.000 2.652 293 S HA 0.530 5.001 4.470 0.001 0.000 0.270 293 S C -2.015 172.545 174.600 -0.068 0.000 1.243 293 S CA -1.124 57.032 58.200 -0.073 0.000 0.999 293 S CB 1.062 64.233 63.200 -0.048 0.000 0.973 293 S HN 0.595 nan 8.310 nan 0.000 0.544 294 P HA -0.075 nan 4.420 nan 0.000 0.216 294 P C 0.759 178.054 177.300 -0.008 0.000 1.150 294 P CA 1.209 64.298 63.100 -0.019 0.000 0.837 294 P CB -0.093 31.603 31.700 -0.007 0.000 0.786 295 E N -0.487 119.708 120.200 -0.008 0.000 2.338 295 E HA -0.155 4.196 4.350 0.001 0.000 0.197 295 E C 1.891 178.501 176.600 0.018 0.000 1.007 295 E CA 0.802 57.207 56.400 0.008 0.000 0.849 295 E CB -0.771 28.934 29.700 0.007 0.000 0.774 295 E HN 0.436 nan 8.360 nan 0.000 0.506 296 Q N 0.218 120.013 119.800 -0.009 0.000 2.378 296 Q HA 0.021 4.362 4.340 0.001 0.000 0.205 296 Q C -0.028 176.019 176.000 0.079 0.000 0.954 296 Q CA 0.262 56.071 55.803 0.010 0.000 0.901 296 Q CB 0.366 29.021 28.738 -0.137 0.000 0.981 296 Q HN 0.131 nan 8.270 nan 0.000 0.483 297 V N 1.494 121.439 119.914 0.051 0.000 2.421 297 V HA 0.044 4.165 4.120 0.001 0.000 0.271 297 V C 0.802 176.972 176.094 0.127 0.000 1.031 297 V CA 0.392 62.754 62.300 0.103 0.000 1.032 297 V CB 0.815 32.675 31.823 0.062 0.000 1.009 297 V HN 0.210 nan 8.190 nan 0.000 0.477 298 A N 4.830 127.758 122.820 0.180 0.000 2.220 298 A HA 0.315 4.636 4.320 0.001 0.000 0.211 298 A C 0.306 178.033 177.584 0.237 0.000 1.176 298 A CA 0.418 52.559 52.037 0.173 0.000 0.834 298 A CB 0.203 19.302 19.000 0.165 0.000 0.868 298 A HN 0.836 nan 8.150 nan 0.000 0.488 299 Y N -1.763 118.585 120.300 0.081 0.000 2.521 299 Y HA 0.480 5.031 4.550 0.001 0.000 0.328 299 Y C -2.049 173.904 175.900 0.088 0.000 1.151 299 Y CA -1.769 56.370 58.100 0.066 0.000 1.054 299 Y CB 1.066 39.566 38.460 0.067 0.000 1.338 299 Y HN -0.130 nan 8.280 nan 0.000 0.453 300 V N 6.350 125.989 119.914 -0.458 0.000 2.407 300 V HA 0.340 4.461 4.120 0.001 0.000 0.291 300 V C -0.474 175.124 176.094 -0.827 0.000 1.018 300 V CA -1.002 61.015 62.300 -0.472 0.000 0.842 300 V CB 1.581 33.332 31.823 -0.120 0.000 0.996 300 V HN 0.767 nan 8.190 nan 0.000 0.426 301 N N 4.115 122.362 118.700 -0.755 0.000 2.437 301 N HA 0.394 5.135 4.740 0.001 0.000 0.243 301 N C 0.050 175.507 175.510 -0.088 0.000 1.041 301 N CA -0.154 52.663 53.050 -0.389 0.000 0.940 301 N CB 1.677 40.072 38.487 -0.153 0.000 1.133 301 N HN 0.812 nan 8.380 nan 0.000 0.506 302 A N 2.733 125.579 122.820 0.043 0.000 2.366 302 A HA 0.044 4.364 4.320 0.001 0.000 0.249 302 A C 1.195 178.836 177.584 0.096 0.000 1.084 302 A CA -0.124 52.001 52.037 0.146 0.000 0.794 302 A CB 0.239 19.458 19.000 0.366 0.000 1.034 302 A HN 0.918 nan 8.150 nan 0.000 0.491 303 H N 1.103 120.147 119.070 -0.042 0.000 2.326 303 H HA 0.061 4.617 4.556 0.001 0.000 0.301 303 H C 1.564 176.812 175.328 -0.133 0.000 1.081 303 H CA 1.707 57.666 56.048 -0.148 0.000 1.334 303 H CB -0.644 29.016 29.762 -0.170 0.000 1.385 303 H HN 1.236 nan 8.280 nan 0.000 0.504 304 G N 0.613 109.315 108.800 -0.163 0.000 2.332 304 G HA2 -0.317 3.644 3.960 0.001 0.000 0.277 304 G HA3 -0.317 3.644 3.960 0.001 0.000 0.277 304 G C 1.033 175.686 174.900 -0.411 0.000 0.884 304 G CA 0.991 45.889 45.100 -0.336 0.000 1.251 304 G HN 0.792 nan 8.290 nan 0.000 0.462 305 T N -2.724 111.506 114.554 -0.541 0.000 3.085 305 T HA 0.336 4.687 4.350 0.001 0.000 0.263 305 T C 1.447 176.035 174.700 -0.187 0.000 1.127 305 T CA 1.151 62.964 62.100 -0.479 0.000 1.103 305 T CB 0.254 68.750 68.868 -0.620 0.000 0.921 305 T HN 1.716 nan 8.240 nan 0.000 0.510 306 S N 0.665 116.245 115.700 -0.199 0.000 3.461 306 S HA -0.134 4.336 4.470 0.001 0.000 0.282 306 S C 0.287 174.864 174.600 -0.038 0.000 1.262 306 S CA 0.640 58.773 58.200 -0.112 0.000 0.853 306 S CB -2.127 61.045 63.200 -0.045 0.000 1.048 306 S HN 1.241 nan 8.310 nan 0.000 0.644 307 T N -1.368 113.166 114.554 -0.035 0.000 2.925 307 T HA 0.698 5.049 4.350 0.001 0.000 0.285 307 T C -1.544 173.160 174.700 0.006 0.000 1.021 307 T CA -1.595 60.525 62.100 0.034 0.000 1.042 307 T CB 1.672 70.603 68.868 0.105 0.000 1.037 307 T HN -0.085 nan 8.240 nan 0.000 0.481 308 P HA -0.053 nan 4.420 nan 0.000 0.214 308 P C 1.707 179.032 177.300 0.042 0.000 1.163 308 P CA 1.701 64.831 63.100 0.049 0.000 0.883 308 P CB -0.261 31.471 31.700 0.053 0.000 0.788 309 A N -0.632 122.204 122.820 0.027 0.000 1.902 309 A HA -0.254 4.067 4.320 0.001 0.000 0.217 309 A C 2.272 179.855 177.584 -0.003 0.000 1.181 309 A CA 2.221 54.260 52.037 0.003 0.000 0.623 309 A CB -1.831 17.176 19.000 0.012 0.000 0.818 309 A HN 0.189 nan 8.150 nan 0.000 0.443 310 N N -0.126 118.577 118.700 0.005 0.000 2.043 310 N HA -0.196 4.544 4.740 0.001 0.000 0.193 310 N C 1.517 177.013 175.510 -0.024 0.000 1.037 310 N CA 2.129 55.180 53.050 0.001 0.000 0.851 310 N CB -0.292 38.194 38.487 -0.003 0.000 1.027 310 N HN 0.514 nan 8.380 nan 0.000 0.422 311 E N -0.011 120.134 120.200 -0.092 0.000 2.204 311 E HA -0.111 4.240 4.350 0.001 0.000 0.194 311 E C 1.728 178.398 176.600 0.117 0.000 0.989 311 E CA 0.633 56.961 56.400 -0.120 0.000 0.824 311 E CB -0.030 29.382 29.700 -0.481 0.000 0.756 311 E HN 0.405 nan 8.360 nan 0.000 0.477 312 K N 0.128 120.606 120.400 0.131 0.000 2.002 312 K HA -0.105 4.216 4.320 0.001 0.000 0.209 312 K C 2.117 178.756 176.600 0.065 0.000 1.048 312 K CA 1.569 57.957 56.287 0.168 0.000 0.930 312 K CB -0.343 32.147 32.500 -0.016 0.000 0.714 312 K HN 0.203 nan 8.250 nan 0.000 0.438 313 G N 0.640 109.433 108.800 -0.012 0.000 2.403 313 G HA2 -0.263 3.698 3.960 0.001 0.000 0.216 313 G HA3 -0.263 3.698 3.960 0.001 0.000 0.216 313 G C 1.362 176.229 174.900 -0.056 0.000 1.154 313 G CA 0.798 45.857 45.100 -0.068 0.000 0.784 313 G HN 0.525 nan 8.290 nan 0.000 0.538 314 E N 0.374 120.575 120.200 0.001 0.000 2.072 314 E HA -0.127 4.224 4.350 0.001 0.000 0.191 314 E C 2.572 179.280 176.600 0.180 0.000 0.985 314 E CA 1.213 57.664 56.400 0.086 0.000 0.801 314 E CB -0.246 29.604 29.700 0.249 0.000 0.750 314 E HN 0.349 nan 8.360 nan 0.000 0.452 315 S N -0.475 115.379 115.700 0.257 0.000 2.368 315 S HA -0.108 4.363 4.470 0.001 0.000 0.225 315 S C 2.031 176.712 174.600 0.135 0.000 1.030 315 S CA 1.538 59.887 58.200 0.249 0.000 0.999 315 S CB -0.668 62.717 63.200 0.309 0.000 0.844 315 S HN 0.458 nan 8.310 nan 0.000 0.459 316 G N 0.708 109.568 108.800 0.100 0.000 2.418 316 G HA2 -0.040 3.921 3.960 0.001 0.000 0.217 316 G HA3 -0.040 3.921 3.960 0.001 0.000 0.217 316 G C 1.699 176.616 174.900 0.028 0.000 1.158 316 G CA 0.966 46.097 45.100 0.051 0.000 0.771 316 G HN 0.727 nan 8.290 nan 0.000 0.545 317 A N 0.609 123.435 122.820 0.011 0.000 1.898 317 A HA 0.106 4.427 4.320 0.001 0.000 0.216 317 A C 2.405 180.013 177.584 0.039 0.000 1.181 317 A CA 1.177 53.213 52.037 -0.002 0.000 0.620 317 A CB -0.322 18.641 19.000 -0.062 0.000 0.819 317 A HN 0.371 nan 8.150 nan 0.000 0.442 318 I N -0.470 120.145 120.570 0.074 0.000 2.179 318 I HA -0.225 3.946 4.170 0.001 0.000 0.242 318 I C 2.363 178.510 176.117 0.050 0.000 1.088 318 I CA 1.243 62.590 61.300 0.078 0.000 1.357 318 I CB -0.339 37.721 38.000 0.099 0.000 1.051 318 I HN 0.152 nan 8.210 nan 0.000 0.409 319 V N 1.012 120.955 119.914 0.048 0.000 2.343 319 V HA -0.302 3.819 4.120 0.001 0.000 0.247 319 V C 2.715 178.824 176.094 0.025 0.000 1.051 319 V CA 1.968 64.289 62.300 0.034 0.000 1.036 319 V CB -1.024 30.822 31.823 0.038 0.000 0.654 319 V HN 0.505 nan 8.190 nan 0.000 0.451 320 A N -0.299 122.534 122.820 0.023 0.000 1.908 320 A HA -0.163 4.158 4.320 0.001 0.000 0.218 320 A C 2.319 179.909 177.584 0.011 0.000 1.181 320 A CA 2.386 54.431 52.037 0.013 0.000 0.627 320 A CB -0.524 18.479 19.000 0.005 0.000 0.818 320 A HN 0.384 nan 8.150 nan 0.000 0.445 321 V N -0.992 118.932 119.914 0.016 0.000 2.500 321 V HA -0.005 4.116 4.120 0.001 0.000 0.243 321 V C 2.088 178.190 176.094 0.015 0.000 1.039 321 V CA 1.500 63.808 62.300 0.014 0.000 1.053 321 V CB -0.442 31.392 31.823 0.018 0.000 0.695 321 V HN 0.512 nan 8.190 nan 0.000 0.463 322 L N -0.430 120.806 121.223 0.021 0.000 2.638 322 L HA 0.620 4.961 4.340 0.001 0.000 0.232 322 L C 1.084 177.966 176.870 0.019 0.000 1.099 322 L CA 0.601 55.453 54.840 0.020 0.000 0.883 322 L CB -0.036 42.040 42.059 0.027 0.000 1.136 322 L HN 0.483 nan 8.230 nan 0.000 0.492 323 G N 1.036 109.847 108.800 0.019 0.000 2.685 323 G HA2 -0.220 3.741 3.960 0.001 0.000 0.387 323 G HA3 -0.220 3.741 3.960 0.001 0.000 0.387 323 G C -0.070 174.839 174.900 0.016 0.000 1.324 323 G CA -0.310 44.800 45.100 0.017 0.000 0.878 323 G HN 0.147 nan 8.290 nan 0.000 0.527 324 K N 0.146 120.554 120.400 0.013 0.000 2.404 324 K HA 0.442 4.762 4.320 0.001 0.000 0.194 324 K C 2.197 178.799 176.600 0.003 0.000 1.023 324 K CA 0.876 57.167 56.287 0.008 0.000 1.094 324 K CB 0.452 32.957 32.500 0.008 0.000 0.841 324 K HN 0.675 nan 8.250 nan 0.000 0.523 325 A N 0.879 123.703 122.820 0.007 0.000 2.063 325 A HA 0.064 4.385 4.320 0.001 0.000 0.211 325 A C 0.856 178.447 177.584 0.012 0.000 1.177 325 A CA -0.133 51.908 52.037 0.006 0.000 0.759 325 A CB 0.262 19.267 19.000 0.009 0.000 0.857 325 A HN 0.117 nan 8.150 nan 0.000 0.468 326 V N 3.157 123.084 119.914 0.022 0.000 2.557 326 V HA 0.176 4.297 4.120 0.001 0.000 0.301 326 V C -2.395 173.724 176.094 0.041 0.000 1.026 326 V CA -1.613 60.711 62.300 0.041 0.000 1.137 326 V CB 0.813 32.665 31.823 0.048 0.000 0.917 326 V HN 0.286 nan 8.190 nan 0.000 0.484 327 P HA 0.310 nan 4.420 nan 0.000 0.279 327 P C -1.138 176.252 177.300 0.150 0.000 1.239 327 P CA -0.063 63.083 63.100 0.075 0.000 0.789 327 P CB 1.231 32.971 31.700 0.067 0.000 0.933 328 V N 2.483 122.439 119.914 0.070 0.000 2.588 328 V HA 0.610 4.731 4.120 0.001 0.000 0.304 328 V C 0.093 176.242 176.094 0.093 0.000 1.042 328 V CA -0.371 61.958 62.300 0.048 0.000 0.877 328 V CB 1.852 33.612 31.823 -0.104 0.000 0.996 328 V HN 0.801 nan 8.190 nan 0.000 0.425 329 S N 2.168 118.017 115.700 0.249 0.000 2.564 329 S HA 0.766 5.237 4.470 0.001 0.000 0.274 329 S C -0.798 173.987 174.600 0.308 0.000 1.124 329 S CA -0.684 57.681 58.200 0.275 0.000 0.869 329 S CB 2.052 65.417 63.200 0.276 0.000 1.105 329 S HN 0.830 nan 8.310 nan 0.000 0.472 330 S N 0.832 116.729 115.700 0.328 0.000 2.498 330 S HA 0.511 4.982 4.470 0.001 0.000 0.317 330 S C 0.776 175.517 174.600 0.235 0.000 1.090 330 S CA -0.109 58.243 58.200 0.252 0.000 1.089 330 S CB 0.827 64.149 63.200 0.203 0.000 0.997 330 S HN 1.040 nan 8.310 nan 0.000 0.470 331 T N 2.232 116.911 114.554 0.209 0.000 3.129 331 T HA 0.210 4.561 4.350 0.001 0.000 0.251 331 T C 1.194 176.030 174.700 0.226 0.000 1.117 331 T CA 0.051 62.303 62.100 0.254 0.000 1.034 331 T CB -0.182 68.758 68.868 0.120 0.000 0.968 331 T HN 0.625 nan 8.240 nan 0.000 0.526 332 K N 1.851 122.323 120.400 0.120 0.000 2.362 332 K HA -0.046 4.275 4.320 0.001 0.000 0.200 332 K C 2.518 179.163 176.600 0.075 0.000 1.046 332 K CA 1.205 57.531 56.287 0.065 0.000 0.952 332 K CB -0.153 32.306 32.500 -0.068 0.000 0.753 332 K HN 0.605 nan 8.250 nan 0.000 0.466 333 S N -0.039 115.711 115.700 0.082 0.000 2.442 333 S HA -0.105 4.366 4.470 0.001 0.000 0.236 333 S C 1.602 176.129 174.600 -0.122 0.000 1.007 333 S CA 0.847 59.029 58.200 -0.030 0.000 0.965 333 S CB -0.260 62.899 63.200 -0.069 0.000 0.773 333 S HN 0.180 nan 8.310 nan 0.000 0.504 334 F N 2.000 121.936 119.950 -0.024 0.000 2.419 334 F HA 0.165 4.693 4.527 0.002 0.000 0.283 334 F C 2.923 178.710 175.800 -0.023 0.000 1.044 334 F CA 1.033 59.003 58.000 -0.050 0.000 1.376 334 F CB -0.563 38.367 39.000 -0.118 0.000 1.131 334 F HN 0.326 nan 8.300 nan 0.000 0.585 335 T N -2.252 112.438 114.554 0.226 0.000 3.057 335 T HA 0.499 4.850 4.350 0.001 0.000 0.254 335 T C 1.149 175.935 174.700 0.144 0.000 1.094 335 T CA 0.452 62.655 62.100 0.172 0.000 1.088 335 T CB -0.380 68.607 68.868 0.198 0.000 0.934 335 T HN 0.485 nan 8.240 nan 0.000 0.497 336 G N 1.250 110.127 108.800 0.129 0.000 2.796 336 G HA2 -0.151 3.809 3.960 0.001 0.000 0.571 336 G HA3 -0.151 3.809 3.960 0.001 0.000 0.571 336 G C -0.811 174.190 174.900 0.167 0.000 1.370 336 G CA -0.353 44.832 45.100 0.141 0.000 0.856 336 G HN 0.840 nan 8.290 nan 0.000 0.538 337 H N 0.267 119.362 119.070 0.041 0.000 2.705 337 H HA 0.539 5.096 4.556 0.001 0.000 0.291 337 H C 1.098 176.403 175.328 -0.039 0.000 1.085 337 H CA -0.973 55.014 56.048 -0.103 0.000 1.357 337 H CB 0.902 30.400 29.762 -0.440 0.000 1.419 337 H HN 0.357 nan 8.280 nan 0.000 0.462 338 L N 6.709 128.085 121.223 0.256 0.000 2.627 338 L HA 0.066 4.407 4.340 0.001 0.000 0.232 338 L C 1.307 178.197 176.870 0.033 0.000 1.150 338 L CA 0.470 55.383 54.840 0.122 0.000 0.917 338 L CB -0.923 41.226 42.059 0.150 0.000 1.104 338 L HN 0.767 nan 8.230 nan 0.000 0.445 339 L N -1.412 119.697 121.223 -0.191 0.000 5.531 339 L HA -0.410 3.931 4.340 0.001 0.000 0.053 339 L C 1.872 178.776 176.870 0.057 0.000 2.831 339 L CA 1.272 55.966 54.840 -0.244 0.000 1.552 339 L CB -1.834 40.101 42.059 -0.207 0.000 2.889 339 L HN 0.262 nan 8.230 nan 0.000 0.964 340 G N -1.075 107.771 108.800 0.077 0.000 2.498 340 G HA2 0.078 4.038 3.960 0.001 0.000 0.219 340 G HA3 0.078 4.038 3.960 0.001 0.000 0.219 340 G C 1.145 176.112 174.900 0.113 0.000 1.119 340 G CA 1.143 46.305 45.100 0.103 0.000 0.766 340 G HN 0.862 nan 8.290 nan 0.000 0.552 341 A N 0.091 122.985 122.820 0.123 0.000 2.308 341 A HA 0.696 5.017 4.320 0.001 0.000 0.217 341 A C 2.445 180.102 177.584 0.122 0.000 1.216 341 A CA 1.172 53.284 52.037 0.125 0.000 0.864 341 A CB -0.119 18.968 19.000 0.144 0.000 0.902 341 A HN 0.474 nan 8.150 nan 0.000 0.499 342 A N 0.214 123.121 122.820 0.144 0.000 1.883 342 A HA 0.036 4.357 4.320 0.001 0.000 0.217 342 A C 2.324 179.978 177.584 0.117 0.000 1.186 342 A CA 2.007 54.139 52.037 0.157 0.000 0.624 342 A CB -1.291 17.845 19.000 0.227 0.000 0.822 342 A HN 0.725 nan 8.150 nan 0.000 0.444 343 G N -0.809 108.050 108.800 0.099 0.000 2.422 343 G HA2 0.025 3.986 3.960 0.001 0.000 0.218 343 G HA3 0.025 3.986 3.960 0.001 0.000 0.218 343 G C 1.718 176.663 174.900 0.075 0.000 1.146 343 G CA 1.477 46.624 45.100 0.077 0.000 0.769 343 G HN 0.816 nan 8.290 nan 0.000 0.547 344 A N 0.178 123.038 122.820 0.066 0.000 1.873 344 A HA 0.091 4.412 4.320 0.001 0.000 0.215 344 A C 2.584 180.167 177.584 -0.001 0.000 1.186 344 A CA 1.793 53.854 52.037 0.040 0.000 0.616 344 A CB -0.645 18.384 19.000 0.047 0.000 0.823 344 A HN 0.249 nan 8.150 nan 0.000 0.442 345 V N 0.122 120.050 119.914 0.022 0.000 2.427 345 V HA -0.236 3.885 4.120 0.001 0.000 0.248 345 V C 2.280 178.411 176.094 0.063 0.000 1.051 345 V CA 2.235 64.533 62.300 -0.003 0.000 1.048 345 V CB -0.826 31.049 31.823 0.087 0.000 0.666 345 V HN 0.641 nan 8.190 nan 0.000 0.456 346 E N 0.139 120.393 120.200 0.089 0.000 2.285 346 E HA -0.032 4.319 4.350 0.001 0.000 0.194 346 E C 2.255 178.861 176.600 0.011 0.000 0.997 346 E CA 0.942 57.401 56.400 0.098 0.000 0.845 346 E CB -0.244 29.516 29.700 0.100 0.000 0.782 346 E HN 0.609 nan 8.360 nan 0.000 0.491 347 A N 1.019 123.812 122.820 -0.046 0.000 1.898 347 A HA -0.134 4.187 4.320 0.001 0.000 0.216 347 A C 2.130 179.463 177.584 -0.419 0.000 1.181 347 A CA 0.869 52.762 52.037 -0.241 0.000 0.620 347 A CB -0.431 18.545 19.000 -0.039 0.000 0.819 347 A HN 0.132 nan 8.150 nan 0.000 0.442 348 I N -0.366 120.007 120.570 -0.328 0.000 2.226 348 I HA -0.219 3.952 4.170 0.001 0.000 0.245 348 I C 2.353 178.371 176.117 -0.164 0.000 1.100 348 I CA 1.083 62.095 61.300 -0.481 0.000 1.374 348 I CB -0.395 37.301 38.000 -0.507 0.000 1.057 348 I HN 0.144 nan 8.210 nan 0.000 0.413 349 V N 0.718 120.700 119.914 0.113 0.000 2.282 349 V HA -0.335 3.786 4.120 0.001 0.000 0.249 349 V C 2.528 178.730 176.094 0.181 0.000 1.057 349 V CA 2.658 65.136 62.300 0.297 0.000 1.032 349 V CB -1.063 30.931 31.823 0.285 0.000 0.645 349 V HN 0.488 nan 8.190 nan 0.000 0.447 350 T N 0.178 114.751 114.554 0.033 0.000 2.708 350 T HA -0.137 4.214 4.350 0.001 0.000 0.266 350 T C 1.810 176.450 174.700 -0.100 0.000 1.037 350 T CA 1.925 64.034 62.100 0.015 0.000 1.146 350 T CB -0.309 68.453 68.868 -0.178 0.000 0.865 350 T HN 0.356 nan 8.240 nan 0.000 0.435 351 I N 0.916 121.300 120.570 -0.310 0.000 2.179 351 I HA -0.133 4.038 4.170 0.001 0.000 0.242 351 I C 2.754 178.823 176.117 -0.080 0.000 1.088 351 I CA 1.166 62.327 61.300 -0.232 0.000 1.357 351 I CB -0.338 37.454 38.000 -0.347 0.000 1.051 351 I HN 0.167 nan 8.210 nan 0.000 0.409 352 E N 0.920 121.093 120.200 -0.045 0.000 2.153 352 E HA -0.196 4.155 4.350 0.001 0.000 0.194 352 E C 2.322 178.827 176.600 -0.159 0.000 0.988 352 E CA 1.357 57.746 56.400 -0.020 0.000 0.811 352 E CB -0.178 29.598 29.700 0.126 0.000 0.746 352 E HN 0.527 nan 8.360 nan 0.000 0.466 353 A N 1.140 123.977 122.820 0.029 0.000 1.898 353 A HA -0.142 4.179 4.320 0.001 0.000 0.216 353 A C 2.260 179.856 177.584 0.021 0.000 1.181 353 A CA 1.299 53.386 52.037 0.083 0.000 0.620 353 A CB -0.446 18.603 19.000 0.082 0.000 0.819 353 A HN 0.140 nan 8.150 nan 0.000 0.442 354 M N -1.044 118.567 119.600 0.018 0.000 2.117 354 M HA -0.147 4.334 4.480 0.001 0.000 0.262 354 M C 2.284 178.563 176.300 -0.036 0.000 1.065 354 M CA 1.461 56.769 55.300 0.013 0.000 1.114 354 M CB -0.354 32.260 32.600 0.025 0.000 1.361 354 M HN 0.342 nan 8.290 nan 0.000 0.408 355 R N -0.857 119.589 120.500 -0.091 0.000 2.189 355 R HA -0.066 4.275 4.340 0.001 0.000 0.223 355 R C 1.254 177.338 176.300 -0.361 0.000 1.092 355 R CA 0.760 56.738 56.100 -0.204 0.000 0.989 355 R CB -0.162 30.000 30.300 -0.231 0.000 0.876 355 R HN 0.553 nan 8.270 nan 0.000 0.457 356 H N -0.006 118.890 119.070 -0.291 0.000 2.594 356 H HA 0.187 4.744 4.556 0.001 0.000 0.279 356 H C -0.146 175.178 175.328 -0.007 0.000 1.042 356 H CA -0.228 55.672 56.048 -0.247 0.000 1.177 356 H CB 0.490 29.929 29.762 -0.537 0.000 1.524 356 H HN 0.175 nan 8.280 nan 0.000 0.537 357 N N 0.482 119.246 118.700 0.106 0.000 2.725 357 N HA -0.238 4.503 4.740 0.001 0.000 0.251 357 N C -0.910 174.759 175.510 0.266 0.000 1.031 357 N CA 0.829 53.957 53.050 0.130 0.000 0.720 357 N CB -1.641 36.905 38.487 0.097 0.000 0.930 357 N HN 0.291 nan 8.380 nan 0.000 0.543 358 F N -0.354 119.638 119.950 0.070 0.000 2.605 358 F HA 0.314 4.842 4.527 0.001 0.000 0.320 358 F C -0.789 175.021 175.800 0.016 0.000 1.159 358 F CA -0.724 57.338 58.000 0.104 0.000 0.999 358 F CB 1.372 40.548 39.000 0.294 0.000 1.258 358 F HN -0.185 nan 8.300 nan 0.000 0.464 359 V N 8.082 127.618 119.914 -0.629 0.000 2.389 359 V HA 0.317 4.438 4.120 0.001 0.000 0.264 359 V C -1.934 173.747 176.094 -0.687 0.000 1.049 359 V CA -1.508 60.357 62.300 -0.725 0.000 0.932 359 V CB 0.622 32.085 31.823 -0.601 0.000 1.011 359 V HN 0.487 nan 8.190 nan 0.000 0.475 360 P HA 0.159 nan 4.420 nan 0.000 0.271 360 P C -0.163 177.088 177.300 -0.082 0.000 1.218 360 P CA -0.353 62.641 63.100 -0.176 0.000 0.780 360 P CB 0.682 32.253 31.700 -0.215 0.000 0.901 361 M N 0.356 119.978 119.600 0.037 0.000 2.163 361 M HA 0.335 4.816 4.480 0.001 0.000 0.305 361 M C -0.356 176.099 176.300 0.257 0.000 1.166 361 M CA 0.380 55.743 55.300 0.106 0.000 1.132 361 M CB -0.157 32.506 32.600 0.106 0.000 1.413 361 M HN 0.046 nan 8.290 nan 0.000 0.478 362 T N 2.344 117.024 114.554 0.211 0.000 2.727 362 T HA 0.560 4.911 4.350 0.001 0.000 0.298 362 T C 0.188 174.946 174.700 0.097 0.000 0.942 362 T CA -0.481 61.747 62.100 0.213 0.000 0.997 362 T CB 0.441 69.456 68.868 0.246 0.000 0.917 362 T HN 0.729 nan 8.240 nan 0.000 0.487 363 A N 2.709 125.461 122.820 -0.113 0.000 2.346 363 A HA 0.675 4.996 4.320 0.001 0.000 0.252 363 A C 1.666 179.145 177.584 -0.176 0.000 1.089 363 A CA 0.176 52.024 52.037 -0.315 0.000 0.797 363 A CB -0.574 17.850 19.000 -0.961 0.000 1.047 363 A HN 1.338 nan 8.150 nan 0.000 0.494 364 G N -0.442 108.269 108.800 -0.149 0.000 2.855 364 G HA2 -0.286 3.675 3.960 0.001 0.000 0.231 364 G HA3 -0.286 3.675 3.960 0.001 0.000 0.231 364 G C 0.752 175.612 174.900 -0.066 0.000 1.242 364 G CA 0.963 46.002 45.100 -0.102 0.000 0.789 364 G HN 1.388 nan 8.290 nan 0.000 0.517 365 T N 1.755 116.276 114.554 -0.056 0.000 2.908 365 T HA 0.418 4.769 4.350 0.001 0.000 0.301 365 T C 1.467 176.063 174.700 -0.174 0.000 1.019 365 T CA 1.257 63.288 62.100 -0.115 0.000 1.152 365 T CB 1.022 69.839 68.868 -0.085 0.000 0.966 365 T HN 1.267 nan 8.240 nan 0.000 0.540 366 S N 1.350 116.889 115.700 -0.267 0.000 2.653 366 S HA 0.259 4.730 4.470 0.001 0.000 0.259 366 S C 0.134 174.536 174.600 -0.330 0.000 1.076 366 S CA -0.609 57.468 58.200 -0.205 0.000 1.051 366 S CB 0.461 63.631 63.200 -0.050 0.000 0.994 366 S HN 0.725 nan 8.310 nan 0.000 0.552 367 E N 1.160 121.137 120.200 -0.371 0.000 2.294 367 E HA 0.509 4.860 4.350 0.001 0.000 0.272 367 E C -1.513 174.917 176.600 -0.282 0.000 0.896 367 E CA -0.572 55.661 56.400 -0.280 0.000 0.802 367 E CB 2.045 31.668 29.700 -0.129 0.000 1.267 367 E HN 0.107 nan 8.360 nan 0.000 0.406 368 V N 2.993 122.731 119.914 -0.294 0.000 2.775 368 V HA 0.170 4.291 4.120 0.001 0.000 0.299 368 V C 0.411 176.389 176.094 -0.193 0.000 1.062 368 V CA -0.362 61.818 62.300 -0.201 0.000 1.063 368 V CB 1.639 33.379 31.823 -0.139 0.000 0.994 368 V HN 0.769 nan 8.190 nan 0.000 0.483 369 S N 2.601 118.142 115.700 -0.265 0.000 2.558 369 S HA 0.084 4.554 4.470 0.001 0.000 0.293 369 S C 1.453 175.777 174.600 -0.459 0.000 1.292 369 S CA 0.370 58.281 58.200 -0.482 0.000 1.063 369 S CB 0.593 63.174 63.200 -1.031 0.000 0.831 369 S HN 1.004 nan 8.310 nan 0.000 0.499 370 D N 1.653 121.863 120.400 -0.318 0.000 2.221 370 D HA -0.166 4.475 4.640 0.001 0.000 0.204 370 D C 1.337 177.581 176.300 -0.093 0.000 0.982 370 D CA 1.847 55.758 54.000 -0.148 0.000 0.857 370 D CB -0.863 39.909 40.800 -0.046 0.000 0.934 370 D HN 0.880 nan 8.370 nan 0.000 0.475 371 Y N -1.309 119.004 120.300 0.021 0.000 2.546 371 Y HA 0.410 4.960 4.550 0.001 0.000 0.287 371 Y C 0.889 176.809 175.900 0.033 0.000 1.158 371 Y CA -0.990 57.123 58.100 0.021 0.000 1.307 371 Y CB -0.615 37.854 38.460 0.015 0.000 1.036 371 Y HN 0.161 nan 8.280 nan 0.000 0.532 372 I N 2.644 123.167 120.570 -0.078 0.000 2.363 372 I HA 0.032 4.203 4.170 0.001 0.000 0.292 372 I C 0.557 176.698 176.117 0.040 0.000 1.075 372 I CA 0.407 61.742 61.300 0.058 0.000 1.333 372 I CB 1.001 39.013 38.000 0.020 0.000 1.415 372 I HN 0.315 nan 8.210 nan 0.000 0.502 373 E N 4.746 124.988 120.200 0.070 0.000 2.472 373 E HA 0.158 4.508 4.350 0.001 0.000 0.196 373 E C 0.703 177.311 176.600 0.014 0.000 1.033 373 E CA -0.223 56.200 56.400 0.039 0.000 0.886 373 E CB 0.489 30.218 29.700 0.049 0.000 0.944 373 E HN 0.738 nan 8.360 nan 0.000 0.492 374 A N 1.972 124.793 122.820 0.001 0.000 2.386 374 A HA 0.080 4.401 4.320 0.001 0.000 0.248 374 A C 0.338 177.874 177.584 -0.081 0.000 1.082 374 A CA -0.361 51.652 52.037 -0.041 0.000 0.789 374 A CB 0.179 19.138 19.000 -0.068 0.000 1.025 374 A HN 0.041 nan 8.150 nan 0.000 0.490 375 N N 1.768 120.428 118.700 -0.067 0.000 2.671 375 N HA 0.188 4.929 4.740 0.001 0.000 0.274 375 N C -0.669 174.776 175.510 -0.107 0.000 1.188 375 N CA 0.008 53.020 53.050 -0.064 0.000 1.065 375 N CB -0.454 38.011 38.487 -0.036 0.000 1.415 375 N HN 0.281 nan 8.380 nan 0.000 0.511 376 V N 2.916 122.739 119.914 -0.152 0.000 2.508 376 V HA 0.098 4.219 4.120 0.001 0.000 0.281 376 V C 0.424 176.510 176.094 -0.013 0.000 1.041 376 V CA -0.587 61.590 62.300 -0.205 0.000 1.016 376 V CB 1.196 32.818 31.823 -0.335 0.000 0.984 376 V HN 0.196 nan 8.190 nan 0.000 0.478 377 V N 7.572 127.476 119.914 -0.016 0.000 2.385 377 V HA 0.471 4.591 4.120 0.001 0.000 0.269 377 V C -0.373 175.761 176.094 0.067 0.000 1.043 377 V CA -0.271 62.000 62.300 -0.048 0.000 0.906 377 V CB 0.176 31.956 31.823 -0.071 0.000 0.995 377 V HN 0.881 nan 8.190 nan 0.000 0.467 378 Y N 2.146 122.427 120.300 -0.032 0.000 2.655 378 Y HA 0.878 5.429 4.550 0.001 0.000 0.336 378 Y C 0.819 176.710 175.900 -0.016 0.000 1.154 378 Y CA -0.354 57.739 58.100 -0.012 0.000 1.055 378 Y CB 1.435 39.891 38.460 -0.006 0.000 1.295 378 Y HN 0.806 nan 8.280 nan 0.000 0.465 379 G N 0.422 109.293 108.800 0.119 0.000 3.329 379 G HA2 -0.138 3.823 3.960 0.001 0.000 0.220 379 G HA3 -0.138 3.823 3.960 0.001 0.000 0.220 379 G C -0.309 174.591 174.900 -0.001 0.000 1.358 379 G CA 0.628 45.745 45.100 0.030 0.000 0.856 379 G HN 1.234 nan 8.290 nan 0.000 0.551 380 Q N 0.796 120.570 119.800 -0.043 0.000 2.482 380 Q HA 0.621 4.962 4.340 0.001 0.000 0.286 380 Q C 0.204 176.182 176.000 -0.036 0.000 1.007 380 Q CA -0.166 55.639 55.803 0.004 0.000 0.801 380 Q CB 1.000 29.743 28.738 0.009 0.000 1.455 380 Q HN 1.291 nan 8.270 nan 0.000 0.398 381 G N 0.365 109.176 108.800 0.019 0.000 2.588 381 G HA2 0.466 4.427 3.960 0.001 0.000 0.278 381 G HA3 0.466 4.427 3.960 0.001 0.000 0.278 381 G C -1.143 173.475 174.900 -0.470 0.000 1.307 381 G CA -0.534 44.377 45.100 -0.314 0.000 1.016 381 G HN 0.489 nan 8.290 nan 0.000 0.503 382 L N -0.002 120.711 121.223 -0.850 0.000 2.376 382 L HA 0.727 5.068 4.340 0.001 0.000 0.275 382 L C 0.296 176.858 176.870 -0.512 0.000 0.987 382 L CA -0.658 53.882 54.840 -0.502 0.000 0.828 382 L CB 1.394 43.268 42.059 -0.310 0.000 1.249 382 L HN 0.693 nan 8.230 nan 0.000 0.409 383 A N 5.770 128.540 122.820 -0.083 0.000 2.362 383 A HA 0.686 5.007 4.320 0.001 0.000 0.276 383 A C -0.448 177.161 177.584 0.042 0.000 1.153 383 A CA -0.079 52.049 52.037 0.151 0.000 0.813 383 A CB 0.067 19.235 19.000 0.279 0.000 1.081 383 A HN 0.783 nan 8.150 nan 0.000 0.507 384 K N 2.038 122.466 120.400 0.045 0.000 2.625 384 K HA 0.350 4.671 4.320 0.001 0.000 0.284 384 K C -1.250 175.373 176.600 0.038 0.000 0.984 384 K CA -0.797 55.506 56.287 0.027 0.000 0.865 384 K CB 0.894 33.392 32.500 -0.004 0.000 1.468 384 K HN 0.511 nan 8.250 nan 0.000 0.407 385 E N 1.545 121.766 120.200 0.034 0.000 2.360 385 E HA 0.170 4.520 4.350 0.001 0.000 0.269 385 E C -0.483 176.142 176.600 0.042 0.000 1.022 385 E CA -0.121 56.299 56.400 0.032 0.000 0.887 385 E CB 0.774 30.488 29.700 0.023 0.000 0.990 385 E HN 0.347 nan 8.360 nan 0.000 0.426 386 I N 5.133 125.730 120.570 0.044 0.000 2.555 386 I HA 0.152 4.323 4.170 0.001 0.000 0.275 386 I C -2.051 174.099 176.117 0.054 0.000 1.082 386 I CA -1.703 59.643 61.300 0.076 0.000 1.167 386 I CB 1.273 39.330 38.000 0.095 0.000 1.312 386 I HN 0.263 nan 8.210 nan 0.000 0.493 387 P HA 0.017 nan 4.420 nan 0.000 0.224 387 P C -0.609 176.547 177.300 -0.241 0.000 1.157 387 P CA 1.124 64.177 63.100 -0.079 0.000 0.799 387 P CB 0.211 31.899 31.700 -0.019 0.000 0.809 388 Y N -1.401 118.958 120.300 0.099 0.000 2.534 388 Y HA 0.662 5.212 4.550 0.001 0.000 0.345 388 Y C -0.375 175.614 175.900 0.149 0.000 1.031 388 Y CA -1.130 57.041 58.100 0.118 0.000 1.022 388 Y CB 1.962 40.473 38.460 0.084 0.000 1.292 388 Y HN -0.248 nan 8.280 nan 0.000 0.459 389 A N 2.476 125.510 122.820 0.356 0.000 2.606 389 A HA 0.868 5.189 4.320 0.001 0.000 0.293 389 A C -1.617 176.124 177.584 0.262 0.000 1.082 389 A CA -0.715 51.491 52.037 0.283 0.000 0.685 389 A CB 1.325 20.517 19.000 0.320 0.000 1.284 389 A HN 0.766 nan 8.150 nan 0.000 0.408 390 I N -1.606 119.043 120.570 0.131 0.000 2.846 390 I HA 0.894 5.065 4.170 0.001 0.000 0.307 390 I C -0.344 175.810 176.117 0.061 0.000 1.053 390 I CA -0.700 60.664 61.300 0.107 0.000 1.050 390 I CB 2.346 40.371 38.000 0.042 0.000 1.239 390 I HN 0.511 nan 8.210 nan 0.000 0.439 391 S N 3.023 118.787 115.700 0.107 0.000 2.733 391 S HA 0.512 4.983 4.470 0.001 0.000 0.294 391 S C -1.122 173.470 174.600 -0.014 0.000 1.149 391 S CA -0.692 57.549 58.200 0.069 0.000 1.034 391 S CB 0.646 63.983 63.200 0.228 0.000 1.015 391 S HN 0.715 nan 8.310 nan 0.000 0.486 392 N N 2.440 121.079 118.700 -0.102 0.000 2.487 392 N HA 0.607 5.348 4.740 0.001 0.000 0.292 392 N C -0.626 174.592 175.510 -0.487 0.000 1.108 392 N CA -0.288 52.556 53.050 -0.342 0.000 0.956 392 N CB 1.791 40.064 38.487 -0.357 0.000 1.176 392 N HN 0.730 nan 8.380 nan 0.000 0.484 393 T N -1.623 112.448 114.554 -0.804 0.000 2.971 393 T HA 0.664 5.015 4.350 0.001 0.000 0.304 393 T C -1.038 172.970 174.700 -1.153 0.000 1.038 393 T CA -0.696 60.915 62.100 -0.814 0.000 1.007 393 T CB 0.084 68.764 68.868 -0.314 0.000 1.055 393 T HN 0.281 nan 8.240 nan 0.000 0.451 394 F N 1.586 120.966 119.950 -0.951 0.000 2.646 394 F HA 0.602 5.130 4.527 0.001 0.000 0.364 394 F C 0.884 176.381 175.800 -0.504 0.000 1.137 394 F CA -0.945 56.748 58.000 -0.512 0.000 1.085 394 F CB 1.738 40.545 39.000 -0.322 0.000 1.331 394 F HN 1.021 nan 8.300 nan 0.000 0.472 395 G N 1.143 109.892 108.800 -0.085 0.000 2.502 395 G HA2 0.524 4.485 3.960 0.001 0.000 0.305 395 G HA3 0.524 4.485 3.960 0.001 0.000 0.305 395 G C -0.701 174.224 174.900 0.040 0.000 1.190 395 G CA -0.658 44.422 45.100 -0.034 0.000 0.933 395 G HN 0.350 nan 8.290 nan 0.000 0.503 396 F N 0.206 120.317 119.950 0.268 0.000 2.608 396 F HA 0.326 4.854 4.527 0.001 0.000 0.380 396 F C 1.599 177.514 175.800 0.192 0.000 1.083 396 F CA 1.689 59.832 58.000 0.239 0.000 1.266 396 F CB 0.857 40.019 39.000 0.270 0.000 1.076 396 F HN 0.800 nan 8.300 nan 0.000 0.574 397 G N 1.095 110.038 108.800 0.238 0.000 2.179 397 G HA2 0.043 4.004 3.960 0.001 0.000 0.220 397 G HA3 0.043 4.004 3.960 0.001 0.000 0.220 397 G C 0.837 175.564 174.900 -0.288 0.000 0.990 397 G CA -0.146 44.934 45.100 -0.034 0.000 0.646 397 G HN 1.789 nan 8.290 nan 0.000 0.517 398 G N -0.862 107.881 108.800 -0.095 0.000 2.147 398 G HA2 -0.230 3.731 3.960 0.001 0.000 0.244 398 G HA3 -0.230 3.731 3.960 0.001 0.000 0.244 398 G C 0.033 174.888 174.900 -0.074 0.000 1.005 398 G CA 0.860 45.933 45.100 -0.045 0.000 0.713 398 G HN 1.441 nan 8.290 nan 0.000 0.515 399 H N 1.138 120.274 119.070 0.110 0.000 2.800 399 H HA 0.420 4.977 4.556 0.002 0.000 0.291 399 H C 0.305 175.697 175.328 0.107 0.000 1.076 399 H CA -0.211 55.894 56.048 0.094 0.000 1.452 399 H CB 0.485 30.299 29.762 0.086 0.000 1.461 399 H HN 0.215 nan 8.280 nan 0.000 0.488 400 N N 2.171 121.012 118.700 0.234 0.000 2.372 400 N HA 0.579 5.320 4.740 0.001 0.000 0.291 400 N C -0.962 174.639 175.510 0.152 0.000 1.024 400 N CA -0.565 52.654 53.050 0.282 0.000 0.873 400 N CB 2.306 40.986 38.487 0.322 0.000 1.206 400 N HN 0.638 nan 8.380 nan 0.000 0.486 401 A N 1.346 124.193 122.820 0.046 0.000 2.427 401 A HA 0.661 4.982 4.320 0.001 0.000 0.298 401 A C -1.115 176.457 177.584 -0.020 0.000 1.036 401 A CA -0.565 51.510 52.037 0.063 0.000 0.701 401 A CB 1.211 20.295 19.000 0.140 0.000 1.250 401 A HN 0.334 nan 8.150 nan 0.000 0.412 402 V N 3.025 122.971 119.914 0.053 0.000 2.638 402 V HA 0.521 4.642 4.120 0.001 0.000 0.306 402 V C -0.535 175.590 176.094 0.051 0.000 1.052 402 V CA -0.375 61.936 62.300 0.018 0.000 0.885 402 V CB 1.701 33.542 31.823 0.029 0.000 0.999 402 V HN 0.812 nan 8.190 nan 0.000 0.424 403 L N 3.562 124.762 121.223 -0.038 0.000 2.334 403 L HA 0.886 5.227 4.340 0.001 0.000 0.276 403 L C 0.142 176.820 176.870 -0.320 0.000 1.014 403 L CA -0.628 54.067 54.840 -0.241 0.000 0.815 403 L CB 2.013 43.824 42.059 -0.413 0.000 1.268 403 L HN 0.760 nan 8.230 nan 0.000 0.428 404 A N 3.183 125.751 122.820 -0.421 0.000 2.318 404 A HA 0.810 5.130 4.320 0.001 0.000 0.324 404 A C -1.189 176.144 177.584 -0.418 0.000 1.170 404 A CA -0.286 51.603 52.037 -0.246 0.000 0.810 404 A CB 0.504 19.446 19.000 -0.097 0.000 1.198 404 A HN 0.503 nan 8.150 nan 0.000 0.484 405 F N 1.065 121.053 119.950 0.064 0.000 2.522 405 F HA 0.582 5.110 4.527 0.001 0.000 0.324 405 F C 0.467 176.339 175.800 0.120 0.000 1.077 405 F CA -0.486 57.548 58.000 0.057 0.000 0.944 405 F CB 2.294 41.317 39.000 0.037 0.000 1.175 405 F HN 0.519 nan 8.300 nan 0.000 0.468 406 K N 2.660 123.204 120.400 0.239 0.000 2.292 406 K HA 0.417 4.738 4.320 0.001 0.000 0.257 406 K C -0.460 176.141 176.600 0.003 0.000 0.940 406 K CA -0.865 55.390 56.287 -0.054 0.000 0.811 406 K CB 1.555 34.023 32.500 -0.054 0.000 1.120 406 K HN 0.750 nan 8.250 nan 0.000 0.428 407 R N 3.371 123.801 120.500 -0.118 0.000 2.623 407 R HA -0.020 4.321 4.340 0.001 0.000 0.271 407 R C -0.885 175.441 176.300 0.043 0.000 1.043 407 R CA -0.155 55.935 56.100 -0.016 0.000 1.083 407 R CB 0.536 30.788 30.300 -0.081 0.000 0.974 407 R HN 0.621 nan 8.270 nan 0.000 0.436 408 W N 5.399 126.659 121.300 -0.067 0.000 2.314 408 W HA 0.390 5.051 4.660 0.001 0.000 0.310 408 W C -0.405 176.079 176.519 -0.058 0.000 1.075 408 W CA 0.405 57.717 57.345 -0.055 0.000 1.253 408 W CB 0.543 29.983 29.460 -0.033 0.000 1.238 408 W HN 1.018 nan 8.180 nan 0.000 0.440 409 A N 0.000 122.521 122.820 -0.499 0.000 2.254 409 A HA 0.000 4.321 4.320 0.001 0.000 0.244 409 A CA 0.000 51.533 52.037 -0.840 0.000 0.836 409 A CB 0.000 18.735 19.000 -0.441 0.000 0.831 409 A HN 0.000 nan 8.150 nan 0.000 0.486