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 2fyn_1_J DATA FIRST_RESID 3 DATA SEQUENCE GIPHDHYEPR TGIEKWLHSR LPIVALAYDT IMIPTPRNLN WMWIWGVVLA DATA SEQUENCE FCLVLQIVTG IVLAMHYTPH VDLAFASVEH IMRNVNGGFM LRYLHANGAS DATA SEQUENCE LFFIAVYLHI FRGLYYGSYK APREVTWIVG MLIYLAMMAT AFMGYVLPWG DATA SEQUENCE QMSFWGATVI TGLFGAIPGI GHSIQTWLLG GPAVDNATLN RFFSLHYLLP DATA SEQUENCE FVIAALVAIH IWAFHSTGNN NPTGVEVRRT SKAEAQKDTV PFWPYFIIKD DATA SEQUENCE VFALAVVLLV FFAIVGFMPN YLGHPDNYIE ANPLRTPAHI VPEWYFLPFY DATA SEQUENCE AILRAFTADV WVVQIANFIS FGIIDAKFFG VLAMFGAILV MALVPWLDTS DATA SEQUENCE PVRSGRYRPM FKIYFWLLAA DFVILTWVGA QQTTFPYDWI SLIASAYWFA DATA SEQUENCE YFLVILPILG AIEKPVAPPA TIEEDFNA 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 3 G C 0.000 174.931 174.900 0.051 0.000 0.946 3 G CA 0.000 45.129 45.100 0.048 0.000 0.502 4 I N 0.594 121.204 120.570 0.066 0.000 2.785 4 I HA 0.490 4.660 4.170 0.001 0.000 0.302 4 I C -2.332 173.857 176.117 0.121 0.000 1.069 4 I CA -2.772 58.575 61.300 0.078 0.000 1.045 4 I CB 2.360 40.402 38.000 0.069 0.000 1.236 4 I HN -0.028 nan 8.210 nan 0.000 0.429 5 P HA 0.060 nan 4.420 nan 0.000 0.257 5 P C -1.070 176.335 177.300 0.175 0.000 1.359 5 P CA 0.446 63.617 63.100 0.120 0.000 1.239 5 P CB -0.349 31.400 31.700 0.081 0.000 1.549 6 H N 0.982 120.107 119.070 0.091 0.000 2.595 6 H HA 0.390 4.947 4.556 0.001 0.000 0.346 6 H C 0.219 175.633 175.328 0.144 0.000 1.181 6 H CA -0.441 55.678 56.048 0.120 0.000 1.242 6 H CB 1.295 31.136 29.762 0.132 0.000 1.652 6 H HN 0.148 nan 8.280 nan 0.000 0.548 7 D N -0.919 119.236 120.400 -0.409 0.000 2.424 7 D HA 0.277 4.918 4.640 0.001 0.000 0.239 7 D C -0.602 175.739 176.300 0.068 0.000 1.246 7 D CA -0.146 53.788 54.000 -0.110 0.000 1.129 7 D CB 0.561 41.331 40.800 -0.050 0.000 1.199 7 D HN 0.527 nan 8.370 nan 0.000 0.584 8 H N -2.542 116.571 119.070 0.072 0.000 3.054 8 H HA 0.347 4.903 4.556 0.001 0.000 0.271 8 H C -1.898 173.585 175.328 0.258 0.000 1.551 8 H CA -0.831 55.356 56.048 0.231 0.000 1.196 8 H CB 0.411 30.273 29.762 0.168 0.000 1.867 8 H HN 0.281 nan 8.280 nan 0.000 0.637 9 Y N 1.479 121.480 120.300 -0.498 0.000 2.334 9 Y HA 0.408 4.958 4.550 0.001 0.000 0.328 9 Y C -0.890 174.861 175.900 -0.247 0.000 1.130 9 Y CA -0.909 56.873 58.100 -0.530 0.000 1.163 9 Y CB 1.021 39.195 38.460 -0.476 0.000 1.207 9 Y HN 0.563 nan 8.280 nan 0.000 0.471 10 E N 5.985 125.652 120.200 -0.888 0.000 2.183 10 E HA 0.369 4.719 4.350 0.001 0.000 0.250 10 E C -2.936 173.138 176.600 -0.878 0.000 0.901 10 E CA -2.746 53.248 56.400 -0.675 0.000 0.741 10 E CB 0.845 30.332 29.700 -0.355 0.000 1.182 10 E HN 0.352 nan 8.360 nan 0.000 0.425 11 P HA -0.045 nan 4.420 nan 0.000 0.254 11 P C 0.199 177.343 177.300 -0.259 0.000 1.186 11 P CA 0.053 62.875 63.100 -0.462 0.000 0.868 11 P CB 0.454 31.988 31.700 -0.276 0.000 0.856 12 R N 1.517 121.896 120.500 -0.202 0.000 2.040 12 R HA 0.094 4.435 4.340 0.001 0.000 0.219 12 R C 0.974 177.249 176.300 -0.041 0.000 1.216 12 R CA 1.020 57.057 56.100 -0.104 0.000 0.952 12 R CB -1.361 28.895 30.300 -0.074 0.000 0.833 12 R HN 0.281 nan 8.270 nan 0.000 0.456 13 T N -0.060 114.492 114.554 -0.004 0.000 2.640 13 T HA 0.128 4.478 4.350 0.001 0.000 0.316 13 T C 1.569 176.291 174.700 0.036 0.000 1.036 13 T CA 0.366 62.477 62.100 0.018 0.000 1.009 13 T CB 0.346 69.234 68.868 0.033 0.000 1.017 13 T HN 0.453 nan 8.240 nan 0.000 0.530 14 G N -0.427 108.398 108.800 0.041 0.000 2.395 14 G HA2 -0.046 3.914 3.960 0.001 0.000 0.214 14 G HA3 -0.046 3.914 3.960 0.001 0.000 0.214 14 G C 1.508 176.481 174.900 0.122 0.000 1.177 14 G CA 0.149 45.289 45.100 0.065 0.000 0.794 14 G HN 0.695 nan 8.290 nan 0.000 0.532 15 I N 0.806 121.431 120.570 0.092 0.000 2.315 15 I HA -0.206 3.965 4.170 0.001 0.000 0.251 15 I C 2.665 178.922 176.117 0.233 0.000 1.125 15 I CA 1.272 62.652 61.300 0.132 0.000 1.392 15 I CB -0.223 37.813 38.000 0.060 0.000 1.065 15 I HN 0.274 nan 8.210 nan 0.000 0.424 16 E N 0.896 121.206 120.200 0.183 0.000 2.107 16 E HA -0.172 4.179 4.350 0.001 0.000 0.191 16 E C 2.123 178.869 176.600 0.243 0.000 0.982 16 E CA 0.874 57.408 56.400 0.223 0.000 0.809 16 E CB 0.033 29.844 29.700 0.185 0.000 0.756 16 E HN 0.475 nan 8.360 nan 0.000 0.459 17 K N -0.159 120.347 120.400 0.176 0.000 2.217 17 K HA -0.145 4.175 4.320 0.001 0.000 0.202 17 K C 1.736 178.449 176.600 0.188 0.000 1.051 17 K CA 0.922 57.291 56.287 0.137 0.000 0.952 17 K CB -0.084 32.462 32.500 0.078 0.000 0.736 17 K HN 0.197 nan 8.250 nan 0.000 0.453 18 W N 1.399 122.737 121.300 0.062 0.000 2.408 18 W HA -0.123 4.537 4.660 0.001 0.000 0.311 18 W C 1.779 178.339 176.519 0.068 0.000 1.190 18 W CA 0.661 58.038 57.345 0.052 0.000 1.321 18 W CB -0.373 29.107 29.460 0.034 0.000 1.143 18 W HN -0.073 nan 8.180 nan 0.000 0.501 19 L N 0.448 121.834 121.223 0.271 0.000 2.046 19 L HA -0.233 4.107 4.340 0.001 0.000 0.208 19 L C 2.708 179.566 176.870 -0.020 0.000 1.077 19 L CA 2.393 57.281 54.840 0.080 0.000 0.747 19 L CB -1.565 40.630 42.059 0.227 0.000 0.896 19 L HN 0.179 nan 8.230 nan 0.000 0.432 20 H N -0.563 118.524 119.070 0.029 0.000 2.353 20 H HA -0.088 4.469 4.556 0.001 0.000 0.300 20 H C 2.131 177.441 175.328 -0.031 0.000 1.090 20 H CA 1.631 57.703 56.048 0.040 0.000 1.327 20 H CB 0.005 29.848 29.762 0.135 0.000 1.383 20 H HN 0.547 nan 8.280 nan 0.000 0.508 21 S N -0.101 115.677 115.700 0.129 0.000 2.603 21 S HA 0.023 4.493 4.470 0.001 0.000 0.229 21 S C 1.886 176.429 174.600 -0.095 0.000 0.972 21 S CA 0.401 58.624 58.200 0.037 0.000 0.935 21 S CB 0.182 63.365 63.200 -0.029 0.000 0.769 21 S HN 0.404 nan 8.310 nan 0.000 0.536 22 R N -0.568 119.818 120.500 -0.190 0.000 2.167 22 R HA 0.490 4.830 4.340 0.001 0.000 0.195 22 R C -0.672 175.519 176.300 -0.181 0.000 1.027 22 R CA 0.110 56.064 56.100 -0.244 0.000 1.114 22 R CB 0.211 30.243 30.300 -0.447 0.000 1.075 22 R HN 0.336 nan 8.270 nan 0.000 0.538 23 L N 2.119 123.231 121.223 -0.185 0.000 2.680 23 L HA 0.313 4.653 4.340 0.001 0.000 0.260 23 L C -2.701 174.044 176.870 -0.209 0.000 0.975 23 L CA -1.660 53.082 54.840 -0.164 0.000 0.920 23 L CB 2.091 44.071 42.059 -0.132 0.000 1.234 23 L HN -0.119 nan 8.230 nan 0.000 0.429 24 P HA 0.117 nan 4.420 nan 0.000 0.249 24 P C 1.021 178.149 177.300 -0.287 0.000 1.686 24 P CA 0.155 63.001 63.100 -0.424 0.000 0.873 24 P CB -0.234 31.180 31.700 -0.478 0.000 1.828 25 I N -1.055 119.388 120.570 -0.212 0.000 2.286 25 I HA -0.195 3.975 4.170 0.001 0.000 0.248 25 I C 2.300 178.290 176.117 -0.212 0.000 1.115 25 I CA 1.000 62.196 61.300 -0.174 0.000 1.392 25 I CB -0.877 37.050 38.000 -0.122 0.000 1.065 25 I HN -0.089 nan 8.210 nan 0.000 0.418 26 V N 1.420 121.176 119.914 -0.262 0.000 2.358 26 V HA -0.245 3.876 4.120 0.001 0.000 0.246 26 V C 2.870 178.601 176.094 -0.605 0.000 1.047 26 V CA 1.829 63.906 62.300 -0.372 0.000 1.035 26 V CB -1.290 30.311 31.823 -0.370 0.000 0.658 26 V HN 0.493 nan 8.190 nan 0.000 0.452 27 A N 0.605 123.028 122.820 -0.661 0.000 1.834 27 A HA -0.247 4.073 4.320 0.001 0.000 0.216 27 A C 2.291 179.749 177.584 -0.210 0.000 1.203 27 A CA 2.329 54.037 52.037 -0.548 0.000 0.621 27 A CB -0.814 18.036 19.000 -0.250 0.000 0.841 27 A HN 0.513 nan 8.150 nan 0.000 0.446 28 L N -0.634 120.497 121.223 -0.154 0.000 2.043 28 L HA -0.196 4.144 4.340 0.001 0.000 0.212 28 L C 2.619 179.438 176.870 -0.085 0.000 1.075 28 L CA 2.113 56.898 54.840 -0.091 0.000 0.752 28 L CB -0.371 41.613 42.059 -0.125 0.000 0.891 28 L HN 0.383 nan 8.230 nan 0.000 0.432 29 A N -1.262 121.488 122.820 -0.115 0.000 2.019 29 A HA -0.271 4.049 4.320 0.001 0.000 0.219 29 A C 2.082 179.651 177.584 -0.024 0.000 1.164 29 A CA 1.688 53.672 52.037 -0.088 0.000 0.644 29 A CB -0.939 17.996 19.000 -0.109 0.000 0.805 29 A HN 0.736 nan 8.150 nan 0.000 0.449 30 Y N 1.072 121.281 120.300 -0.151 0.000 2.176 30 Y HA -0.126 4.425 4.550 0.001 0.000 0.291 30 Y C 1.709 177.660 175.900 0.084 0.000 1.122 30 Y CA 1.790 59.855 58.100 -0.057 0.000 1.128 30 Y CB -0.119 38.272 38.460 -0.115 0.000 1.005 30 Y HN 0.332 nan 8.280 nan 0.000 0.509 31 D N -0.791 119.699 120.400 0.150 0.000 2.265 31 D HA -0.150 4.491 4.640 0.001 0.000 0.208 31 D C 1.917 178.248 176.300 0.052 0.000 0.977 31 D CA 1.715 55.825 54.000 0.184 0.000 0.871 31 D CB -0.319 40.627 40.800 0.243 0.000 0.925 31 D HN 0.386 nan 8.370 nan 0.000 0.485 32 T N 0.464 115.021 114.554 0.004 0.000 2.937 32 T HA -0.018 4.333 4.350 0.001 0.000 0.260 32 T C 1.744 176.554 174.700 0.182 0.000 1.051 32 T CA 0.025 62.112 62.100 -0.023 0.000 1.141 32 T CB 0.122 68.887 68.868 -0.173 0.000 0.879 32 T HN 0.016 nan 8.240 nan 0.000 0.459 33 I N 0.780 121.434 120.570 0.141 0.000 3.428 33 I HA 0.202 4.372 4.170 0.001 0.000 0.286 33 I C 1.183 177.490 176.117 0.316 0.000 1.287 33 I CA 0.756 62.222 61.300 0.277 0.000 1.396 33 I CB -0.148 37.884 38.000 0.054 0.000 1.062 33 I HN 0.122 nan 8.210 nan 0.000 0.471 34 M N -0.538 119.146 119.600 0.139 0.000 2.313 34 M HA 0.266 4.747 4.480 0.001 0.000 0.273 34 M C 0.358 176.826 176.300 0.281 0.000 1.049 34 M CA -0.465 54.912 55.300 0.127 0.000 1.004 34 M CB -0.396 32.036 32.600 -0.279 0.000 1.461 34 M HN -0.036 nan 8.290 nan 0.000 0.514 35 I N 4.694 125.438 120.570 0.290 0.000 2.826 35 I HA -0.014 4.156 4.170 0.001 0.000 0.295 35 I C -1.773 174.481 176.117 0.228 0.000 1.213 35 I CA -1.212 60.208 61.300 0.198 0.000 1.436 35 I CB 0.440 38.507 38.000 0.112 0.000 1.348 35 I HN 0.024 nan 8.210 nan 0.000 0.570 36 P HA 0.141 nan 4.420 nan 0.000 0.276 36 P C -1.142 176.227 177.300 0.115 0.000 1.243 36 P CA -0.251 62.949 63.100 0.167 0.000 0.768 36 P CB 0.399 32.188 31.700 0.147 0.000 0.856 37 T N 0.630 115.278 114.554 0.157 0.000 2.876 37 T HA 0.484 4.834 4.350 0.001 0.000 0.289 37 T C -2.896 171.859 174.700 0.093 0.000 1.014 37 T CA -2.944 59.215 62.100 0.099 0.000 0.986 37 T CB 1.156 70.085 68.868 0.101 0.000 1.021 37 T HN 0.135 nan 8.240 nan 0.000 0.458 38 P HA -0.056 nan 4.420 nan 0.000 0.262 38 P C 0.594 177.834 177.300 -0.101 0.000 1.151 38 P CA 0.236 63.264 63.100 -0.121 0.000 0.757 38 P CB 0.595 32.157 31.700 -0.229 0.000 0.754 39 R N 1.896 122.250 120.500 -0.244 0.000 2.120 39 R HA -0.100 4.240 4.340 0.001 0.000 0.234 39 R C 1.126 177.103 176.300 -0.538 0.000 1.123 39 R CA 1.052 56.821 56.100 -0.552 0.000 0.975 39 R CB -0.354 29.320 30.300 -1.044 0.000 0.866 39 R HN 0.644 nan 8.270 nan 0.000 0.446 40 N N 1.334 119.821 118.700 -0.356 0.000 2.419 40 N HA 0.194 4.934 4.740 0.001 0.000 0.264 40 N C -0.887 174.392 175.510 -0.385 0.000 1.031 40 N CA 0.017 52.921 53.050 -0.243 0.000 0.951 40 N CB 1.477 39.901 38.487 -0.106 0.000 1.101 40 N HN 0.019 nan 8.380 nan 0.000 0.488 41 L N 1.936 122.921 121.223 -0.397 0.000 2.849 41 L HA 0.167 4.508 4.340 0.001 0.000 0.256 41 L C -0.695 175.940 176.870 -0.393 0.000 0.951 41 L CA -0.888 53.519 54.840 -0.722 0.000 1.003 41 L CB 1.365 42.864 42.059 -0.933 0.000 1.408 41 L HN 0.648 nan 8.230 nan 0.000 0.463 42 N N 0.762 119.321 118.700 -0.235 0.000 2.379 42 N HA 0.096 4.837 4.740 0.001 0.000 0.260 42 N C 0.442 175.996 175.510 0.073 0.000 1.254 42 N CA -0.470 52.555 53.050 -0.043 0.000 0.958 42 N CB 0.452 39.035 38.487 0.160 0.000 1.208 42 N HN 0.536 nan 8.380 nan 0.000 0.532 43 W N -0.902 120.522 121.300 0.207 0.000 2.908 43 W HA 0.036 4.696 4.660 0.001 0.000 0.250 43 W C 1.293 177.931 176.519 0.199 0.000 1.284 43 W CA -0.108 57.334 57.345 0.162 0.000 1.352 43 W CB -0.232 29.313 29.460 0.142 0.000 1.133 43 W HN 0.272 nan 8.180 nan 0.000 0.684 44 M N -1.858 118.046 119.600 0.506 0.000 2.428 44 M HA 0.044 4.524 4.480 0.001 0.000 0.239 44 M C 1.101 177.581 176.300 0.300 0.000 1.121 44 M CA 0.211 55.817 55.300 0.510 0.000 1.019 44 M CB -0.731 32.140 32.600 0.451 0.000 1.485 44 M HN 0.307 nan 8.290 nan 0.000 0.484 45 W N 0.592 121.907 121.300 0.024 0.000 3.211 45 W HA 0.122 4.783 4.660 0.000 0.000 0.292 45 W C 1.656 178.120 176.519 -0.092 0.000 1.268 45 W CA 0.314 57.625 57.345 -0.057 0.000 1.702 45 W CB 0.213 29.536 29.460 -0.228 0.000 1.092 45 W HN 0.225 nan 8.180 nan 0.000 0.643 46 I N -3.410 117.132 120.570 -0.048 0.000 2.928 46 I HA -0.102 4.068 4.170 0.001 0.000 0.266 46 I C 1.751 177.695 176.117 -0.289 0.000 1.234 46 I CA 1.023 62.212 61.300 -0.186 0.000 1.483 46 I CB -0.845 37.005 38.000 -0.249 0.000 1.097 46 I HN -0.202 nan 8.210 nan 0.000 0.455 47 W N 2.197 123.566 121.300 0.114 0.000 2.364 47 W HA 0.011 4.671 4.660 0.001 0.000 0.281 47 W C 2.619 179.062 176.519 -0.128 0.000 1.219 47 W CA 0.860 58.234 57.345 0.048 0.000 1.220 47 W CB -0.659 28.876 29.460 0.125 0.000 1.127 47 W HN 0.215 nan 8.180 nan 0.000 0.556 48 G N 0.152 108.950 108.800 -0.003 0.000 2.422 48 G HA2 -0.215 3.745 3.960 0.001 0.000 0.218 48 G HA3 -0.215 3.745 3.960 0.001 0.000 0.218 48 G C 1.435 176.328 174.900 -0.011 0.000 1.146 48 G CA 1.407 46.406 45.100 -0.167 0.000 0.769 48 G HN 0.179 nan 8.290 nan 0.000 0.547 49 V N 0.418 120.361 119.914 0.048 0.000 2.346 49 V HA -0.108 4.012 4.120 0.001 0.000 0.244 49 V C 2.992 179.149 176.094 0.106 0.000 1.037 49 V CA 1.163 63.524 62.300 0.102 0.000 1.029 49 V CB -0.111 31.786 31.823 0.122 0.000 0.663 49 V HN 0.229 nan 8.190 nan 0.000 0.454 50 V N 0.062 120.024 119.914 0.080 0.000 2.469 50 V HA -0.281 3.840 4.120 0.001 0.000 0.251 50 V C 2.265 178.445 176.094 0.144 0.000 1.064 50 V CA 1.861 64.236 62.300 0.124 0.000 1.066 50 V CB -0.614 31.326 31.823 0.196 0.000 0.667 50 V HN 0.440 nan 8.190 nan 0.000 0.461 51 L N -0.200 121.086 121.223 0.106 0.000 2.044 51 L HA -0.092 4.248 4.340 0.001 0.000 0.205 51 L C 2.766 179.620 176.870 -0.025 0.000 1.075 51 L CA 1.458 56.342 54.840 0.073 0.000 0.747 51 L CB -0.790 41.304 42.059 0.058 0.000 0.903 51 L HN 0.344 nan 8.230 nan 0.000 0.435 52 A N 0.018 122.862 122.820 0.039 0.000 1.883 52 A HA -0.296 4.024 4.320 0.001 0.000 0.217 52 A C 2.182 179.744 177.584 -0.037 0.000 1.186 52 A CA 1.772 53.826 52.037 0.028 0.000 0.624 52 A CB -0.932 18.131 19.000 0.105 0.000 0.822 52 A HN 0.413 nan 8.150 nan 0.000 0.444 53 F N 0.562 120.458 119.950 -0.089 0.000 2.069 53 F HA -0.278 4.249 4.527 0.001 0.000 0.298 53 F C 2.512 178.175 175.800 -0.228 0.000 1.113 53 F CA 1.780 59.717 58.000 -0.104 0.000 1.214 53 F CB -0.848 38.113 39.000 -0.065 0.000 0.978 53 F HN 0.309 nan 8.300 nan 0.000 0.474 54 C N 0.369 119.470 119.300 -0.332 0.000 2.398 54 C HA -0.210 4.250 4.460 0.001 0.000 0.276 54 C C 2.699 177.126 174.990 -0.940 0.000 1.222 54 C CA 1.183 59.780 59.018 -0.702 0.000 1.746 54 C CB -1.600 25.608 27.740 -0.887 0.000 2.039 54 C HN 0.680 nan 8.230 nan 0.000 0.470 55 L N 0.717 121.378 121.223 -0.936 0.000 2.043 55 L HA -0.122 4.218 4.340 0.001 0.000 0.212 55 L C 2.452 179.073 176.870 -0.415 0.000 1.075 55 L CA 1.922 56.380 54.840 -0.637 0.000 0.752 55 L CB -0.797 41.087 42.059 -0.292 0.000 0.891 55 L HN 0.223 nan 8.230 nan 0.000 0.432 56 V N -0.690 118.987 119.914 -0.394 0.000 2.270 56 V HA -0.253 3.867 4.120 0.001 0.000 0.245 56 V C 2.485 178.355 176.094 -0.373 0.000 1.043 56 V CA 1.627 63.737 62.300 -0.318 0.000 1.014 56 V CB -0.658 30.997 31.823 -0.279 0.000 0.645 56 V HN 0.564 nan 8.190 nan 0.000 0.447 57 L N 0.205 121.063 121.223 -0.608 0.000 1.990 57 L HA -0.242 4.099 4.340 0.001 0.000 0.213 57 L C 2.488 179.222 176.870 -0.227 0.000 1.072 57 L CA 2.099 56.654 54.840 -0.474 0.000 0.755 57 L CB -0.936 40.740 42.059 -0.638 0.000 0.889 57 L HN 0.274 nan 8.230 nan 0.000 0.432 58 Q N -0.091 119.546 119.800 -0.271 0.000 2.061 58 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 58 Q C 2.446 178.430 176.000 -0.027 0.000 0.984 58 Q CA 2.370 58.112 55.803 -0.102 0.000 0.846 58 Q CB -0.504 28.104 28.738 -0.218 0.000 0.902 58 Q HN 0.670 nan 8.270 nan 0.000 0.421 59 I N 0.572 121.047 120.570 -0.158 0.000 2.286 59 I HA -0.234 3.936 4.170 0.001 0.000 0.248 59 I C 2.394 178.443 176.117 -0.113 0.000 1.115 59 I CA 1.220 62.414 61.300 -0.175 0.000 1.392 59 I CB -0.392 37.496 38.000 -0.186 0.000 1.065 59 I HN 0.098 nan 8.210 nan 0.000 0.418 60 V N -1.061 118.804 119.914 -0.081 0.000 2.302 60 V HA -0.175 3.945 4.120 0.001 0.000 0.243 60 V C 2.531 178.603 176.094 -0.037 0.000 1.036 60 V CA 1.947 64.222 62.300 -0.042 0.000 1.020 60 V CB -1.598 30.209 31.823 -0.027 0.000 0.657 60 V HN 0.533 nan 8.190 nan 0.000 0.453 61 T N -1.467 113.082 114.554 -0.010 0.000 2.897 61 T HA -0.013 4.337 4.350 0.001 0.000 0.271 61 T C 1.921 176.529 174.700 -0.153 0.000 1.084 61 T CA 1.610 63.709 62.100 -0.001 0.000 1.123 61 T CB -1.062 67.875 68.868 0.114 0.000 0.865 61 T HN 0.764 nan 8.240 nan 0.000 0.496 62 G N 1.919 110.585 108.800 -0.222 0.000 2.424 62 G HA2 0.014 3.974 3.960 0.001 0.000 0.214 62 G HA3 0.014 3.974 3.960 0.001 0.000 0.214 62 G C 1.532 176.248 174.900 -0.306 0.000 1.202 62 G CA 0.667 45.499 45.100 -0.447 0.000 0.793 62 G HN 0.545 nan 8.290 nan 0.000 0.534 63 I N 0.658 121.097 120.570 -0.219 0.000 2.151 63 I HA -0.197 3.973 4.170 0.001 0.000 0.243 63 I C 2.814 178.919 176.117 -0.019 0.000 1.080 63 I CA 0.792 62.029 61.300 -0.105 0.000 1.339 63 I CB -0.799 37.211 38.000 0.016 0.000 1.039 63 I HN 0.011 nan 8.210 nan 0.000 0.409 64 V N 1.398 121.305 119.914 -0.011 0.000 2.252 64 V HA -0.300 3.821 4.120 0.001 0.000 0.249 64 V C 2.535 178.692 176.094 0.104 0.000 1.056 64 V CA 1.977 64.307 62.300 0.050 0.000 1.022 64 V CB -0.542 31.308 31.823 0.045 0.000 0.641 64 V HN 0.367 nan 8.190 nan 0.000 0.445 65 L N -0.127 121.112 121.223 0.027 0.000 2.131 65 L HA -0.153 4.188 4.340 0.001 0.000 0.210 65 L C 2.593 179.542 176.870 0.132 0.000 1.092 65 L CA 1.407 56.287 54.840 0.067 0.000 0.759 65 L CB -0.671 41.328 42.059 -0.101 0.000 0.903 65 L HN 0.378 nan 8.230 nan 0.000 0.435 66 A N -0.741 122.132 122.820 0.088 0.000 2.070 66 A HA -0.193 4.127 4.320 0.001 0.000 0.220 66 A C 2.212 179.906 177.584 0.184 0.000 1.159 66 A CA 1.329 53.509 52.037 0.238 0.000 0.656 66 A CB -0.463 18.680 19.000 0.238 0.000 0.800 66 A HN 0.394 nan 8.150 nan 0.000 0.453 67 M N -1.219 118.405 119.600 0.040 0.000 2.619 67 M HA -0.018 4.463 4.480 0.001 0.000 0.251 67 M C 1.043 177.078 176.300 -0.442 0.000 1.106 67 M CA 0.826 56.014 55.300 -0.187 0.000 1.086 67 M CB 0.016 32.438 32.600 -0.296 0.000 1.465 67 M HN 0.504 nan 8.290 nan 0.000 0.506 68 H N -3.310 115.802 119.070 0.070 0.000 3.643 68 H HA 0.135 4.691 4.556 0.001 0.000 0.256 68 H C -0.493 174.829 175.328 -0.011 0.000 1.107 68 H CA -0.157 55.909 56.048 0.029 0.000 1.175 68 H CB 0.392 30.207 29.762 0.088 0.000 1.519 68 H HN 0.199 nan 8.280 nan 0.000 0.565 69 Y N 3.688 123.995 120.300 0.011 0.000 2.319 69 Y HA 0.256 4.806 4.550 0.001 0.000 0.328 69 Y C 0.303 176.072 175.900 -0.219 0.000 1.133 69 Y CA -0.509 57.539 58.100 -0.087 0.000 1.265 69 Y CB 0.912 39.334 38.460 -0.065 0.000 1.218 69 Y HN -0.057 nan 8.280 nan 0.000 0.508 70 T N 6.115 120.080 114.554 -0.981 0.000 2.791 70 T HA 0.405 4.755 4.350 0.001 0.000 0.288 70 T C -2.878 171.166 174.700 -1.094 0.000 0.999 70 T CA -2.549 59.063 62.100 -0.812 0.000 0.952 70 T CB 1.511 70.102 68.868 -0.460 0.000 0.938 70 T HN 0.556 nan 8.240 nan 0.000 0.444 71 P HA 0.178 nan 4.420 nan 0.000 0.244 71 P C -0.814 176.309 177.300 -0.294 0.000 1.769 71 P CA 0.117 62.922 63.100 -0.493 0.000 1.102 71 P CB -0.507 30.965 31.700 -0.379 0.000 1.937 72 H N 2.069 120.863 119.070 -0.459 0.000 3.128 72 H HA 0.042 4.599 4.556 0.001 0.000 0.336 72 H C 0.660 175.727 175.328 -0.435 0.000 1.026 72 H CA -0.478 55.337 56.048 -0.388 0.000 1.376 72 H CB 2.287 31.872 29.762 -0.295 0.000 1.882 72 H HN -0.144 nan 8.280 nan 0.000 0.479 73 V N 4.080 123.578 119.914 -0.692 0.000 2.353 73 V HA -0.325 3.796 4.120 0.001 0.000 0.260 73 V C 1.384 177.365 176.094 -0.188 0.000 1.091 73 V CA 2.875 64.760 62.300 -0.690 0.000 1.088 73 V CB 0.008 31.438 31.823 -0.655 0.000 0.672 73 V HN 0.732 nan 8.190 nan 0.000 0.455 74 D N -1.250 119.229 120.400 0.130 0.000 2.323 74 D HA 0.039 4.680 4.640 0.001 0.000 0.209 74 D C 1.695 178.014 176.300 0.032 0.000 0.973 74 D CA 1.048 55.107 54.000 0.099 0.000 0.874 74 D CB 0.287 41.152 40.800 0.108 0.000 0.930 74 D HN 0.491 nan 8.370 nan 0.000 0.521 75 L N -0.390 120.824 121.223 -0.014 0.000 2.717 75 L HA 0.306 4.647 4.340 0.001 0.000 0.239 75 L C 2.327 179.126 176.870 -0.119 0.000 1.086 75 L CA 0.135 54.922 54.840 -0.089 0.000 0.897 75 L CB -0.117 41.830 42.059 -0.187 0.000 1.214 75 L HN -0.196 nan 8.230 nan 0.000 0.508 76 A N 1.119 123.834 122.820 -0.175 0.000 1.881 76 A HA -0.326 3.994 4.320 0.001 0.000 0.219 76 A C 2.165 179.796 177.584 0.078 0.000 1.215 76 A CA 2.418 54.331 52.037 -0.206 0.000 0.648 76 A CB -1.000 17.892 19.000 -0.180 0.000 0.832 76 A HN 0.403 nan 8.150 nan 0.000 0.455 77 F N 0.564 120.562 119.950 0.081 0.000 2.102 77 F HA -0.004 4.523 4.527 0.001 0.000 0.298 77 F C 2.615 178.477 175.800 0.104 0.000 1.105 77 F CA 1.365 59.453 58.000 0.147 0.000 1.239 77 F CB -0.558 38.545 39.000 0.172 0.000 0.991 77 F HN 0.263 nan 8.300 nan 0.000 0.474 78 A N -0.491 122.435 122.820 0.177 0.000 1.908 78 A HA -0.258 4.063 4.320 0.001 0.000 0.218 78 A C 2.368 179.947 177.584 -0.009 0.000 1.181 78 A CA 2.186 54.269 52.037 0.075 0.000 0.627 78 A CB -1.547 17.507 19.000 0.089 0.000 0.818 78 A HN 0.527 nan 8.150 nan 0.000 0.445 79 S N -0.460 115.209 115.700 -0.051 0.000 2.383 79 S HA -0.140 4.330 4.470 0.001 0.000 0.229 79 S C 1.804 176.417 174.600 0.022 0.000 1.030 79 S CA 1.859 60.007 58.200 -0.088 0.000 1.002 79 S CB -0.610 62.445 63.200 -0.242 0.000 0.829 79 S HN 0.315 nan 8.310 nan 0.000 0.467 80 V N 1.306 121.226 119.914 0.009 0.000 2.548 80 V HA 0.024 4.144 4.120 0.001 0.000 0.249 80 V C 2.768 178.827 176.094 -0.057 0.000 1.055 80 V CA 1.831 64.138 62.300 0.011 0.000 1.065 80 V CB -0.824 30.983 31.823 -0.027 0.000 0.681 80 V HN 0.433 nan 8.190 nan 0.000 0.462 81 E N -0.305 119.815 120.200 -0.133 0.000 2.208 81 E HA -0.181 4.169 4.350 0.001 0.000 0.193 81 E C 2.140 178.746 176.600 0.009 0.000 0.988 81 E CA 0.847 57.191 56.400 -0.094 0.000 0.828 81 E CB -0.354 29.272 29.700 -0.123 0.000 0.763 81 E HN 0.725 nan 8.360 nan 0.000 0.478 82 H N 0.306 119.342 119.070 -0.058 0.000 2.333 82 H HA -0.008 4.548 4.556 0.001 0.000 0.302 82 H C 1.996 177.295 175.328 -0.048 0.000 1.075 82 H CA 1.530 57.556 56.048 -0.037 0.000 1.348 82 H CB -0.236 29.510 29.762 -0.026 0.000 1.393 82 H HN 0.184 nan 8.280 nan 0.000 0.509 83 I N 0.596 121.272 120.570 0.177 0.000 2.530 83 I HA -0.277 3.894 4.170 0.001 0.000 0.257 83 I C 2.353 178.438 176.117 -0.053 0.000 1.179 83 I CA 0.679 62.002 61.300 0.037 0.000 1.440 83 I CB -0.169 37.861 38.000 0.050 0.000 1.087 83 I HN 0.282 nan 8.210 nan 0.000 0.440 84 M N -0.084 119.495 119.600 -0.034 0.000 2.216 84 M HA -0.060 4.421 4.480 0.001 0.000 0.264 84 M C 2.341 178.652 176.300 0.017 0.000 1.080 84 M CA 1.718 57.011 55.300 -0.012 0.000 1.153 84 M CB -0.805 31.777 32.600 -0.030 0.000 1.356 84 M HN 0.141 nan 8.290 nan 0.000 0.432 85 R N -0.526 119.945 120.500 -0.049 0.000 2.140 85 R HA 0.052 4.392 4.340 0.001 0.000 0.213 85 R C 1.662 177.893 176.300 -0.116 0.000 1.059 85 R CA 0.776 56.837 56.100 -0.066 0.000 1.000 85 R CB 0.083 30.342 30.300 -0.069 0.000 0.910 85 R HN 0.380 nan 8.270 nan 0.000 0.455 86 N N -0.055 118.491 118.700 -0.255 0.000 2.591 86 N HA 0.033 4.773 4.740 0.001 0.000 0.200 86 N C 0.240 175.598 175.510 -0.254 0.000 1.040 86 N CA 0.193 53.051 53.050 -0.319 0.000 0.911 86 N CB 0.001 38.107 38.487 -0.634 0.000 1.259 86 N HN -0.149 nan 8.380 nan 0.000 0.438 87 V N 3.979 123.701 119.914 -0.321 0.000 2.584 87 V HA -0.077 4.043 4.120 0.001 0.000 0.303 87 V C 0.330 176.335 176.094 -0.148 0.000 1.035 87 V CA -0.173 61.967 62.300 -0.267 0.000 1.172 87 V CB -0.231 31.311 31.823 -0.469 0.000 0.896 87 V HN 0.253 nan 8.190 nan 0.000 0.486 88 N N 4.812 123.453 118.700 -0.097 0.000 2.394 88 N HA 0.052 4.792 4.740 0.001 0.000 0.282 88 N C 1.248 176.708 175.510 -0.082 0.000 1.351 88 N CA 1.211 54.236 53.050 -0.041 0.000 0.936 88 N CB 0.523 39.002 38.487 -0.014 0.000 1.274 88 N HN 1.121 nan 8.380 nan 0.000 0.489 89 G N 1.582 110.330 108.800 -0.087 0.000 2.162 89 G HA2 -0.304 3.657 3.960 0.001 0.000 0.260 89 G HA3 -0.304 3.657 3.960 0.001 0.000 0.260 89 G C 1.240 175.854 174.900 -0.475 0.000 0.976 89 G CA 0.545 45.434 45.100 -0.352 0.000 0.655 89 G HN 0.682 nan 8.290 nan 0.000 0.533 90 G N 1.142 109.785 108.800 -0.261 0.000 2.446 90 G HA2 0.014 3.974 3.960 0.001 0.000 0.217 90 G HA3 0.014 3.974 3.960 0.001 0.000 0.217 90 G C 1.601 176.355 174.900 -0.244 0.000 1.168 90 G CA 1.613 46.582 45.100 -0.219 0.000 0.771 90 G HN 1.270 nan 8.290 nan 0.000 0.551 91 F N 0.122 120.008 119.950 -0.107 0.000 2.147 91 F HA -0.080 4.448 4.527 0.001 0.000 0.301 91 F C 2.278 178.024 175.800 -0.089 0.000 1.084 91 F CA 1.556 59.465 58.000 -0.152 0.000 1.268 91 F CB -0.464 38.492 39.000 -0.074 0.000 1.009 91 F HN 0.053 nan 8.300 nan 0.000 0.486 92 M N 0.033 119.017 119.600 -1.028 0.000 2.514 92 M HA 0.127 4.607 4.480 0.001 0.000 0.258 92 M C 1.968 178.178 176.300 -0.149 0.000 1.119 92 M CA 0.733 55.773 55.300 -0.432 0.000 1.111 92 M CB -0.420 31.818 32.600 -0.603 0.000 1.390 92 M HN 0.390 nan 8.290 nan 0.000 0.475 93 L N -1.074 120.038 121.223 -0.186 0.000 2.162 93 L HA -0.092 4.249 4.340 0.001 0.000 0.205 93 L C 2.685 179.570 176.870 0.026 0.000 1.086 93 L CA 0.509 55.321 54.840 -0.047 0.000 0.778 93 L CB -0.504 41.515 42.059 -0.067 0.000 0.928 93 L HN 0.180 nan 8.230 nan 0.000 0.446 94 R N 0.216 120.694 120.500 -0.037 0.000 2.088 94 R HA -0.222 4.118 4.340 0.001 0.000 0.232 94 R C 2.341 178.713 176.300 0.119 0.000 1.136 94 R CA 2.078 58.175 56.100 -0.005 0.000 0.926 94 R CB -0.863 29.350 30.300 -0.145 0.000 0.837 94 R HN 0.205 nan 8.270 nan 0.000 0.429 95 Y N 1.092 121.467 120.300 0.126 0.000 2.241 95 Y HA -0.181 4.370 4.550 0.001 0.000 0.286 95 Y C 2.441 178.413 175.900 0.119 0.000 1.166 95 Y CA 1.008 59.187 58.100 0.132 0.000 1.203 95 Y CB -0.669 37.860 38.460 0.114 0.000 0.977 95 Y HN 0.066 nan 8.280 nan 0.000 0.529 96 L N -1.540 119.837 121.223 0.257 0.000 2.056 96 L HA -0.239 4.101 4.340 0.001 0.000 0.207 96 L C 2.417 179.467 176.870 0.299 0.000 1.078 96 L CA 1.550 56.527 54.840 0.228 0.000 0.749 96 L CB -0.433 41.731 42.059 0.176 0.000 0.901 96 L HN 0.226 nan 8.230 nan 0.000 0.433 97 H N -0.505 118.663 119.070 0.163 0.000 2.389 97 H HA -0.089 4.468 4.556 0.001 0.000 0.299 97 H C 2.050 177.487 175.328 0.182 0.000 1.081 97 H CA 1.367 57.494 56.048 0.132 0.000 1.345 97 H CB 0.152 29.964 29.762 0.084 0.000 1.393 97 H HN 0.316 nan 8.280 nan 0.000 0.520 98 A N 0.446 123.412 122.820 0.244 0.000 1.841 98 A HA -0.171 4.149 4.320 0.001 0.000 0.214 98 A C 2.120 179.864 177.584 0.267 0.000 1.195 98 A CA 1.786 53.971 52.037 0.246 0.000 0.611 98 A CB -0.563 18.631 19.000 0.322 0.000 0.835 98 A HN 0.590 nan 8.150 nan 0.000 0.443 99 N N 0.050 118.948 118.700 0.329 0.000 2.512 99 N HA 0.053 4.794 4.740 0.001 0.000 0.183 99 N C 1.577 177.331 175.510 0.406 0.000 1.073 99 N CA 0.798 54.092 53.050 0.408 0.000 0.911 99 N CB -0.184 38.562 38.487 0.433 0.000 0.964 99 N HN 0.487 nan 8.380 nan 0.000 0.447 100 G N 0.645 109.609 108.800 0.273 0.000 2.418 100 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 100 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 100 G C 1.619 176.532 174.900 0.021 0.000 1.158 100 G CA 0.837 45.965 45.100 0.047 0.000 0.771 100 G HN 0.376 nan 8.290 nan 0.000 0.545 101 A N 1.050 123.898 122.820 0.047 0.000 1.865 101 A HA -0.073 4.248 4.320 0.001 0.000 0.217 101 A C 2.731 180.393 177.584 0.131 0.000 1.191 101 A CA 2.512 54.573 52.037 0.040 0.000 0.623 101 A CB -0.889 18.141 19.000 0.051 0.000 0.826 101 A HN 0.349 nan 8.150 nan 0.000 0.444 102 S N -0.278 115.638 115.700 0.360 0.000 2.359 102 S HA -0.224 4.246 4.470 0.001 0.000 0.222 102 S C 1.913 176.835 174.600 0.537 0.000 1.038 102 S CA 1.657 60.258 58.200 0.667 0.000 1.051 102 S CB -0.729 62.942 63.200 0.785 0.000 0.944 102 S HN 0.568 nan 8.310 nan 0.000 0.433 103 L N 1.256 122.666 121.223 0.311 0.000 2.013 103 L HA -0.104 4.236 4.340 0.001 0.000 0.212 103 L C 2.028 179.004 176.870 0.177 0.000 1.073 103 L CA 1.783 56.721 54.840 0.164 0.000 0.753 103 L CB -0.926 41.020 42.059 -0.188 0.000 0.890 103 L HN 0.226 nan 8.230 nan 0.000 0.432 104 F N -0.467 119.404 119.950 -0.131 0.000 2.154 104 F HA -0.275 4.252 4.527 0.001 0.000 0.301 104 F C 2.111 177.659 175.800 -0.420 0.000 1.087 104 F CA 1.501 59.323 58.000 -0.297 0.000 1.274 104 F CB -0.835 37.897 39.000 -0.447 0.000 1.009 104 F HN 0.151 nan 8.300 nan 0.000 0.485 105 F N -0.064 119.830 119.950 -0.093 0.000 2.118 105 F HA -0.059 4.469 4.527 0.001 0.000 0.293 105 F C 2.453 178.233 175.800 -0.032 0.000 1.102 105 F CA 1.107 58.922 58.000 -0.308 0.000 1.247 105 F CB -0.972 37.703 39.000 -0.542 0.000 1.017 105 F HN -0.210 nan 8.300 nan 0.000 0.475 106 I N 0.082 120.987 120.570 0.559 0.000 2.236 106 I HA -0.398 3.773 4.170 0.001 0.000 0.249 106 I C 2.505 178.696 176.117 0.123 0.000 1.102 106 I CA 1.403 62.990 61.300 0.478 0.000 1.365 106 I CB -0.875 37.336 38.000 0.351 0.000 1.051 106 I HN 0.143 nan 8.210 nan 0.000 0.420 107 A N -0.010 122.864 122.820 0.090 0.000 1.898 107 A HA -0.109 4.212 4.320 0.001 0.000 0.214 107 A C 2.462 180.053 177.584 0.012 0.000 1.183 107 A CA 1.353 53.417 52.037 0.045 0.000 0.622 107 A CB -0.879 18.277 19.000 0.260 0.000 0.824 107 A HN 0.251 nan 8.150 nan 0.000 0.444 108 V N -1.135 118.742 119.914 -0.060 0.000 2.626 108 V HA -0.182 3.938 4.120 0.001 0.000 0.252 108 V C 2.187 178.232 176.094 -0.082 0.000 1.067 108 V CA 1.685 63.919 62.300 -0.110 0.000 1.081 108 V CB -0.785 30.842 31.823 -0.327 0.000 0.686 108 V HN 0.627 nan 8.190 nan 0.000 0.468 109 Y N -0.288 120.078 120.300 0.109 0.000 2.206 109 Y HA 0.014 4.564 4.550 0.001 0.000 0.292 109 Y C 2.241 178.179 175.900 0.064 0.000 1.123 109 Y CA 1.141 59.291 58.100 0.084 0.000 1.142 109 Y CB -0.726 37.891 38.460 0.263 0.000 1.006 109 Y HN 0.141 nan 8.280 nan 0.000 0.518 110 L N -0.836 120.420 121.223 0.054 0.000 2.079 110 L HA -0.289 4.051 4.340 0.001 0.000 0.210 110 L C 2.451 179.273 176.870 -0.080 0.000 1.081 110 L CA 1.851 56.559 54.840 -0.220 0.000 0.752 110 L CB -0.568 40.846 42.059 -1.074 0.000 0.896 110 L HN 0.292 nan 8.230 nan 0.000 0.433 111 H N 0.237 119.238 119.070 -0.114 0.000 2.293 111 H HA -0.149 4.407 4.556 0.001 0.000 0.300 111 H C 2.162 177.510 175.328 0.032 0.000 1.082 111 H CA 1.873 57.943 56.048 0.037 0.000 1.308 111 H CB -0.063 29.741 29.762 0.069 0.000 1.375 111 H HN 0.171 nan 8.280 nan 0.000 0.495 112 I N -0.671 119.879 120.570 -0.033 0.000 2.142 112 I HA -0.288 3.882 4.170 0.001 0.000 0.240 112 I C 1.840 177.914 176.117 -0.073 0.000 1.078 112 I CA 1.294 62.506 61.300 -0.147 0.000 1.343 112 I CB -0.356 37.465 38.000 -0.299 0.000 1.046 112 I HN 0.188 nan 8.210 nan 0.000 0.405 113 F N 0.627 120.591 119.950 0.023 0.000 2.216 113 F HA -0.184 4.344 4.527 0.001 0.000 0.300 113 F C 2.621 178.547 175.800 0.211 0.000 1.085 113 F CA 1.176 59.218 58.000 0.070 0.000 1.326 113 F CB -0.544 38.433 39.000 -0.039 0.000 1.027 113 F HN -0.013 nan 8.300 nan 0.000 0.497 114 R N 1.145 121.822 120.500 0.295 0.000 2.091 114 R HA -0.144 4.196 4.340 0.001 0.000 0.238 114 R C 2.352 178.812 176.300 0.267 0.000 1.136 114 R CA 1.765 58.012 56.100 0.246 0.000 0.959 114 R CB -1.415 28.914 30.300 0.049 0.000 0.856 114 R HN 0.378 nan 8.270 nan 0.000 0.437 115 G N 1.059 109.957 108.800 0.164 0.000 2.402 115 G HA2 -0.185 3.776 3.960 0.001 0.000 0.216 115 G HA3 -0.185 3.776 3.960 0.001 0.000 0.216 115 G C 1.793 176.888 174.900 0.325 0.000 1.162 115 G CA 0.591 45.832 45.100 0.236 0.000 0.777 115 G HN 0.312 nan 8.290 nan 0.000 0.539 116 L N -1.097 120.304 121.223 0.297 0.000 2.083 116 L HA -0.089 4.251 4.340 0.001 0.000 0.209 116 L C 2.587 179.790 176.870 0.555 0.000 1.083 116 L CA 1.210 56.226 54.840 0.293 0.000 0.752 116 L CB -0.405 41.787 42.059 0.222 0.000 0.899 116 L HN 0.292 nan 8.230 nan 0.000 0.433 117 Y N -0.483 120.002 120.300 0.308 0.000 2.220 117 Y HA -0.206 4.344 4.550 0.001 0.000 0.291 117 Y C 1.834 177.531 175.900 -0.338 0.000 1.129 117 Y CA 1.330 59.283 58.100 -0.244 0.000 1.161 117 Y CB -0.111 37.849 38.460 -0.835 0.000 0.997 117 Y HN 0.052 nan 8.280 nan 0.000 0.522 118 Y N 0.035 120.489 120.300 0.257 0.000 2.470 118 Y HA 0.291 4.841 4.550 0.001 0.000 0.284 118 Y C 1.680 177.550 175.900 -0.049 0.000 1.188 118 Y CA 0.156 58.338 58.100 0.136 0.000 1.269 118 Y CB -0.015 38.606 38.460 0.270 0.000 1.094 118 Y HN 0.216 nan 8.280 nan 0.000 0.518 119 G N -0.199 108.583 108.800 -0.029 0.000 2.249 119 G HA2 -0.340 3.621 3.960 0.001 0.000 0.273 119 G HA3 -0.340 3.621 3.960 0.001 0.000 0.273 119 G C 1.127 175.788 174.900 -0.398 0.000 1.036 119 G CA 0.686 45.516 45.100 -0.450 0.000 0.824 119 G HN 0.380 nan 8.290 nan 0.000 0.504 120 S N -0.930 114.721 115.700 -0.083 0.000 2.507 120 S HA -0.002 4.469 4.470 0.001 0.000 0.235 120 S C 1.831 176.396 174.600 -0.057 0.000 0.988 120 S CA 1.602 59.799 58.200 -0.006 0.000 0.944 120 S CB -0.269 62.989 63.200 0.096 0.000 0.762 120 S HN 0.928 nan 8.310 nan 0.000 0.526 121 Y N 0.490 120.618 120.300 -0.286 0.000 2.503 121 Y HA 0.457 5.007 4.550 0.000 0.000 0.278 121 Y C 0.558 176.220 175.900 -0.398 0.000 1.111 121 Y CA -0.684 57.121 58.100 -0.492 0.000 1.270 121 Y CB -0.488 37.109 38.460 -1.439 0.000 1.063 121 Y HN -0.123 nan 8.280 nan 0.000 0.548 122 K N 2.205 122.033 120.400 -0.954 0.000 2.412 122 K HA 0.383 4.703 4.320 0.001 0.000 0.281 122 K C 0.508 176.893 176.600 -0.360 0.000 1.027 122 K CA 0.159 56.050 56.287 -0.660 0.000 0.989 122 K CB 0.504 32.593 32.500 -0.684 0.000 0.935 122 K HN 0.416 nan 8.250 nan 0.000 0.475 123 A N 5.240 127.886 122.820 -0.289 0.000 2.642 123 A HA -0.065 4.255 4.320 0.001 0.000 0.228 123 A C -1.216 176.292 177.584 -0.127 0.000 1.045 123 A CA -0.386 51.546 52.037 -0.175 0.000 0.760 123 A CB -0.214 18.697 19.000 -0.149 0.000 0.958 123 A HN 0.708 nan 8.150 nan 0.000 0.505 124 P HA 0.006 nan 4.420 nan 0.000 0.249 124 P C 0.351 177.634 177.300 -0.028 0.000 1.229 124 P CA 0.429 63.500 63.100 -0.048 0.000 0.788 124 P CB 0.076 31.762 31.700 -0.024 0.000 1.072 125 R N 0.664 121.146 120.500 -0.030 0.000 2.535 125 R HA 0.066 4.407 4.340 0.001 0.000 0.233 125 R C 1.276 177.615 176.300 0.065 0.000 1.202 125 R CA 0.191 56.310 56.100 0.032 0.000 1.205 125 R CB -0.615 29.712 30.300 0.045 0.000 1.153 125 R HN 0.321 nan 8.270 nan 0.000 0.512 126 E N -0.003 120.202 120.200 0.008 0.000 2.204 126 E HA -0.125 4.225 4.350 0.001 0.000 0.194 126 E C 1.506 178.221 176.600 0.193 0.000 0.989 126 E CA 0.924 57.335 56.400 0.018 0.000 0.824 126 E CB 0.194 29.824 29.700 -0.117 0.000 0.756 126 E HN 0.136 nan 8.360 nan 0.000 0.477 127 V N 0.681 120.690 119.914 0.159 0.000 2.407 127 V HA -0.190 3.931 4.120 0.001 0.000 0.245 127 V C 2.175 178.396 176.094 0.211 0.000 1.041 127 V CA 1.872 64.272 62.300 0.167 0.000 1.040 127 V CB -0.617 31.251 31.823 0.074 0.000 0.671 127 V HN 0.297 nan 8.190 nan 0.000 0.455 128 T N -0.420 114.270 114.554 0.226 0.000 2.653 128 T HA -0.311 4.040 4.350 0.001 0.000 0.268 128 T C 1.542 176.475 174.700 0.389 0.000 1.035 128 T CA 2.176 64.471 62.100 0.326 0.000 1.154 128 T CB -0.413 68.632 68.868 0.295 0.000 0.862 128 T HN 0.685 nan 8.240 nan 0.000 0.441 129 W N 1.451 122.849 121.300 0.163 0.000 2.333 129 W HA -0.141 4.519 4.660 0.001 0.000 0.316 129 W C 2.019 178.609 176.519 0.117 0.000 1.215 129 W CA 1.135 58.557 57.345 0.128 0.000 1.278 129 W CB -0.556 28.967 29.460 0.104 0.000 1.154 129 W HN 0.250 nan 8.180 nan 0.000 0.486 130 I N 0.268 120.974 120.570 0.226 0.000 2.226 130 I HA -0.337 3.833 4.170 0.001 0.000 0.245 130 I C 2.335 178.457 176.117 0.008 0.000 1.100 130 I CA 1.308 62.678 61.300 0.117 0.000 1.374 130 I CB -0.979 37.162 38.000 0.236 0.000 1.057 130 I HN -0.226 nan 8.210 nan 0.000 0.413 131 V N 0.926 120.876 119.914 0.059 0.000 2.343 131 V HA -0.227 3.894 4.120 0.001 0.000 0.247 131 V C 2.564 178.599 176.094 -0.098 0.000 1.051 131 V CA 2.215 64.535 62.300 0.034 0.000 1.036 131 V CB -1.321 30.581 31.823 0.131 0.000 0.654 131 V HN 0.586 nan 8.190 nan 0.000 0.451 132 G N -1.027 107.655 108.800 -0.197 0.000 2.432 132 G HA2 -0.318 3.642 3.960 0.001 0.000 0.219 132 G HA3 -0.318 3.642 3.960 0.001 0.000 0.219 132 G C 1.533 176.225 174.900 -0.346 0.000 1.135 132 G CA 1.168 45.999 45.100 -0.449 0.000 0.767 132 G HN 0.399 nan 8.290 nan 0.000 0.550 133 M N 0.166 119.555 119.600 -0.352 0.000 2.175 133 M HA 0.233 4.713 4.480 0.001 0.000 0.264 133 M C 2.322 178.569 176.300 -0.089 0.000 1.063 133 M CA 0.955 56.096 55.300 -0.265 0.000 1.119 133 M CB -0.433 31.995 32.600 -0.286 0.000 1.377 133 M HN 0.174 nan 8.290 nan 0.000 0.415 134 L N -1.076 120.099 121.223 -0.081 0.000 2.056 134 L HA -0.208 4.132 4.340 0.001 0.000 0.207 134 L C 2.274 179.107 176.870 -0.062 0.000 1.078 134 L CA 1.121 55.933 54.840 -0.047 0.000 0.749 134 L CB -0.622 41.421 42.059 -0.026 0.000 0.901 134 L HN 0.268 nan 8.230 nan 0.000 0.433 135 I N -1.288 119.229 120.570 -0.089 0.000 2.208 135 I HA -0.375 3.796 4.170 0.001 0.000 0.245 135 I C 2.538 178.591 176.117 -0.107 0.000 1.097 135 I CA 1.511 62.748 61.300 -0.104 0.000 1.363 135 I CB -0.366 37.541 38.000 -0.154 0.000 1.051 135 I HN 0.213 nan 8.210 nan 0.000 0.413 136 Y N 0.949 121.115 120.300 -0.224 0.000 2.224 136 Y HA -0.265 4.285 4.550 0.001 0.000 0.289 136 Y C 2.233 178.054 175.900 -0.131 0.000 1.146 136 Y CA 1.433 59.407 58.100 -0.208 0.000 1.182 136 Y CB -0.287 38.053 38.460 -0.200 0.000 0.983 136 Y HN 0.037 nan 8.280 nan 0.000 0.524 137 L N 0.090 121.200 121.223 -0.187 0.000 2.056 137 L HA -0.084 4.256 4.340 0.001 0.000 0.207 137 L C 2.574 179.337 176.870 -0.177 0.000 1.078 137 L CA 2.033 56.742 54.840 -0.217 0.000 0.749 137 L CB -1.362 40.647 42.059 -0.085 0.000 0.901 137 L HN 0.274 nan 8.230 nan 0.000 0.433 138 A N -1.266 121.476 122.820 -0.130 0.000 1.898 138 A HA -0.231 4.089 4.320 0.001 0.000 0.216 138 A C 2.298 179.809 177.584 -0.122 0.000 1.181 138 A CA 1.893 53.873 52.037 -0.095 0.000 0.620 138 A CB -0.487 18.468 19.000 -0.075 0.000 0.819 138 A HN 0.439 nan 8.150 nan 0.000 0.442 139 M N -0.942 118.527 119.600 -0.218 0.000 2.082 139 M HA -0.236 4.244 4.480 0.001 0.000 0.258 139 M C 2.420 178.676 176.300 -0.074 0.000 1.069 139 M CA 2.115 57.230 55.300 -0.308 0.000 1.102 139 M CB -0.518 31.705 32.600 -0.629 0.000 1.336 139 M HN 0.473 nan 8.290 nan 0.000 0.404 140 M N -0.518 119.063 119.600 -0.032 0.000 2.077 140 M HA -0.123 4.357 4.480 0.001 0.000 0.261 140 M C 2.528 178.955 176.300 0.213 0.000 1.070 140 M CA 1.685 57.098 55.300 0.189 0.000 1.125 140 M CB -0.838 31.711 32.600 -0.085 0.000 1.339 140 M HN 0.354 nan 8.290 nan 0.000 0.409 141 A N 0.546 123.413 122.820 0.078 0.000 1.903 141 A HA -0.212 4.109 4.320 0.001 0.000 0.219 141 A C 2.256 179.951 177.584 0.184 0.000 1.191 141 A CA 2.651 54.771 52.037 0.139 0.000 0.638 141 A CB -1.385 17.647 19.000 0.053 0.000 0.823 141 A HN 0.519 nan 8.150 nan 0.000 0.451 142 T N 0.173 114.799 114.554 0.120 0.000 2.614 142 T HA -0.022 4.329 4.350 0.001 0.000 0.263 142 T C 2.255 177.107 174.700 0.254 0.000 1.055 142 T CA 1.976 64.173 62.100 0.161 0.000 1.162 142 T CB -0.722 68.181 68.868 0.058 0.000 0.863 142 T HN 0.702 nan 8.240 nan 0.000 0.414 143 A N 0.959 123.920 122.820 0.235 0.000 2.093 143 A HA -0.141 4.180 4.320 0.001 0.000 0.222 143 A C 1.969 179.743 177.584 0.317 0.000 1.162 143 A CA 1.778 53.961 52.037 0.244 0.000 0.655 143 A CB -0.930 18.204 19.000 0.224 0.000 0.805 143 A HN 0.539 nan 8.150 nan 0.000 0.461 144 F N -0.099 120.007 119.950 0.260 0.000 2.094 144 F HA -0.001 4.526 4.527 0.001 0.000 0.291 144 F C 2.204 178.098 175.800 0.158 0.000 1.109 144 F CA 1.687 59.853 58.000 0.277 0.000 1.221 144 F CB -0.651 38.484 39.000 0.226 0.000 1.014 144 F HN 0.147 nan 8.300 nan 0.000 0.473 145 M N 0.611 119.897 119.600 -0.523 0.000 2.144 145 M HA -0.136 4.344 4.480 0.001 0.000 0.260 145 M C 2.400 178.450 176.300 -0.417 0.000 1.067 145 M CA 1.701 56.619 55.300 -0.636 0.000 1.095 145 M CB -1.390 30.936 32.600 -0.456 0.000 1.365 145 M HN 0.414 nan 8.290 nan 0.000 0.406 146 G N -0.502 107.958 108.800 -0.566 0.000 2.480 146 G HA2 -0.291 3.670 3.960 0.001 0.000 0.216 146 G HA3 -0.291 3.670 3.960 0.001 0.000 0.216 146 G C 1.263 176.038 174.900 -0.209 0.000 1.200 146 G CA 0.747 45.342 45.100 -0.842 0.000 0.782 146 G HN 0.412 nan 8.290 nan 0.000 0.554 147 Y N 1.046 121.259 120.300 -0.144 0.000 2.365 147 Y HA -0.111 4.440 4.550 0.001 0.000 0.287 147 Y C 2.818 178.726 175.900 0.014 0.000 1.162 147 Y CA 1.022 59.110 58.100 -0.021 0.000 1.260 147 Y CB -0.054 38.438 38.460 0.053 0.000 0.976 147 Y HN 0.048 nan 8.280 nan 0.000 0.548 148 V N -0.345 119.582 119.914 0.023 0.000 2.591 148 V HA -0.283 3.837 4.120 0.001 0.000 0.249 148 V C 2.332 178.560 176.094 0.224 0.000 1.053 148 V CA 1.486 63.845 62.300 0.099 0.000 1.068 148 V CB -0.581 31.356 31.823 0.190 0.000 0.689 148 V HN 0.382 nan 8.190 nan 0.000 0.462 149 L N 0.076 121.370 121.223 0.118 0.000 2.043 149 L HA -0.179 4.162 4.340 0.001 0.000 0.212 149 L C -0.013 177.016 176.870 0.266 0.000 1.075 149 L CA 1.881 56.801 54.840 0.135 0.000 0.752 149 L CB -2.047 39.880 42.059 -0.221 0.000 0.891 149 L HN 0.353 nan 8.230 nan 0.000 0.432 150 P HA -0.224 nan 4.420 nan 0.000 0.221 150 P C 0.200 177.807 177.300 0.513 0.000 1.145 150 P CA 0.955 64.207 63.100 0.253 0.000 0.795 150 P CB -0.041 31.702 31.700 0.071 0.000 0.775 151 W N -0.805 120.570 121.300 0.124 0.000 5.158 151 W HA -0.152 4.508 4.660 0.001 0.000 0.393 151 W C 0.078 176.641 176.519 0.073 0.000 1.508 151 W CA 0.041 57.448 57.345 0.103 0.000 0.901 151 W CB -1.371 28.161 29.460 0.120 0.000 2.676 151 W HN -0.057 nan 8.180 nan 0.000 1.392 152 G N 0.514 109.326 108.800 0.020 0.000 2.583 152 G HA2 0.246 4.207 3.960 0.001 0.000 0.280 152 G HA3 0.246 4.207 3.960 0.001 0.000 0.280 152 G C 0.541 175.315 174.900 -0.211 0.000 1.376 152 G CA 0.062 45.102 45.100 -0.101 0.000 1.043 152 G HN 0.172 nan 8.290 nan 0.000 0.538 153 Q N -0.901 118.826 119.800 -0.121 0.000 2.050 153 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 153 Q C 2.776 178.830 176.000 0.091 0.000 0.980 153 Q CA 1.210 57.019 55.803 0.010 0.000 0.840 153 Q CB -0.296 28.483 28.738 0.067 0.000 0.898 153 Q HN 0.443 nan 8.270 nan 0.000 0.424 154 M N 0.202 119.798 119.600 -0.007 0.000 2.159 154 M HA -0.090 4.390 4.480 0.001 0.000 0.263 154 M C 2.195 178.521 176.300 0.044 0.000 1.063 154 M CA 1.132 56.467 55.300 0.058 0.000 1.110 154 M CB -1.227 31.450 32.600 0.128 0.000 1.374 154 M HN 0.013 nan 8.290 nan 0.000 0.411 155 S N 0.762 116.355 115.700 -0.178 0.000 2.353 155 S HA -0.156 4.314 4.470 0.001 0.000 0.222 155 S C 1.764 176.259 174.600 -0.175 0.000 1.035 155 S CA 1.356 59.450 58.200 -0.176 0.000 1.025 155 S CB -0.604 62.479 63.200 -0.195 0.000 0.902 155 S HN 0.420 nan 8.310 nan 0.000 0.440 156 F N 0.777 120.377 119.950 -0.583 0.000 2.102 156 F HA -0.067 4.461 4.527 0.001 0.000 0.298 156 F C 1.831 177.237 175.800 -0.657 0.000 1.105 156 F CA 1.177 58.639 58.000 -0.897 0.000 1.239 156 F CB -0.493 37.756 39.000 -1.252 0.000 0.991 156 F HN 0.223 nan 8.300 nan 0.000 0.474 157 W N 0.087 121.314 121.300 -0.122 0.000 2.418 157 W HA 0.073 4.733 4.660 0.000 0.000 0.292 157 W C 2.674 179.146 176.519 -0.079 0.000 1.213 157 W CA 1.053 58.311 57.345 -0.145 0.000 1.283 157 W CB -1.162 28.279 29.460 -0.032 0.000 1.119 157 W HN 0.089 nan 8.180 nan 0.000 0.542 158 G N 0.413 109.338 108.800 0.210 0.000 2.422 158 G HA2 -0.205 3.755 3.960 0.001 0.000 0.218 158 G HA3 -0.205 3.755 3.960 0.001 0.000 0.218 158 G C 1.654 176.748 174.900 0.325 0.000 1.146 158 G CA 1.253 46.510 45.100 0.261 0.000 0.769 158 G HN 0.291 nan 8.290 nan 0.000 0.547 159 A N 0.317 123.286 122.820 0.249 0.000 1.902 159 A HA -0.003 4.317 4.320 0.001 0.000 0.217 159 A C 2.532 180.178 177.584 0.104 0.000 1.181 159 A CA 2.393 54.615 52.037 0.308 0.000 0.623 159 A CB -0.868 18.132 19.000 -0.001 0.000 0.818 159 A HN 0.289 nan 8.150 nan 0.000 0.443 160 T N -0.485 113.967 114.554 -0.169 0.000 2.708 160 T HA -0.107 4.243 4.350 0.001 0.000 0.266 160 T C 1.891 176.617 174.700 0.042 0.000 1.037 160 T CA 1.630 63.639 62.100 -0.150 0.000 1.146 160 T CB -0.391 68.356 68.868 -0.201 0.000 0.865 160 T HN 0.142 nan 8.240 nan 0.000 0.435 161 V N 0.904 120.871 119.914 0.088 0.000 2.307 161 V HA -0.080 4.040 4.120 0.001 0.000 0.245 161 V C 2.332 178.448 176.094 0.038 0.000 1.045 161 V CA 1.364 63.711 62.300 0.077 0.000 1.024 161 V CB -0.481 31.390 31.823 0.082 0.000 0.651 161 V HN 0.378 nan 8.190 nan 0.000 0.449 162 I N 0.856 121.426 120.570 -0.000 0.000 2.394 162 I HA -0.183 3.988 4.170 0.001 0.000 0.251 162 I C 2.557 178.762 176.117 0.146 0.000 1.136 162 I CA 1.907 63.133 61.300 -0.123 0.000 1.425 162 I CB -0.622 36.965 38.000 -0.687 0.000 1.079 162 I HN 0.465 nan 8.210 nan 0.000 0.425 163 T N -2.143 112.572 114.554 0.268 0.000 3.035 163 T HA -0.001 4.349 4.350 0.001 0.000 0.268 163 T C 1.999 176.898 174.700 0.333 0.000 1.109 163 T CA 0.796 63.127 62.100 0.386 0.000 1.119 163 T CB -0.831 68.218 68.868 0.302 0.000 0.900 163 T HN 0.399 nan 8.240 nan 0.000 0.503 164 G N 1.740 110.650 108.800 0.184 0.000 2.421 164 G HA2 0.033 3.993 3.960 0.001 0.000 0.217 164 G HA3 0.033 3.993 3.960 0.001 0.000 0.217 164 G C 1.426 176.370 174.900 0.074 0.000 1.143 164 G CA 0.253 45.422 45.100 0.115 0.000 0.784 164 G HN 0.522 nan 8.290 nan 0.000 0.541 165 L N -0.537 120.687 121.223 0.001 0.000 2.189 165 L HA -0.082 4.258 4.340 0.001 0.000 0.214 165 L C 2.380 179.086 176.870 -0.274 0.000 1.097 165 L CA 0.853 55.602 54.840 -0.152 0.000 0.764 165 L CB -0.438 41.451 42.059 -0.284 0.000 0.900 165 L HN 0.164 nan 8.230 nan 0.000 0.436 166 F N -0.572 119.444 119.950 0.111 0.000 2.615 166 F HA 0.071 4.599 4.527 0.001 0.000 0.297 166 F C 2.368 178.205 175.800 0.060 0.000 1.124 166 F CA 0.686 58.741 58.000 0.092 0.000 1.451 166 F CB -0.697 38.367 39.000 0.108 0.000 1.103 166 F HN -0.036 nan 8.300 nan 0.000 0.569 167 G N -0.237 108.652 108.800 0.149 0.000 2.484 167 G HA2 -0.064 3.897 3.960 0.001 0.000 0.218 167 G HA3 -0.064 3.897 3.960 0.001 0.000 0.218 167 G C 1.860 176.763 174.900 0.005 0.000 1.130 167 G CA 0.681 45.821 45.100 0.066 0.000 0.784 167 G HN 0.385 nan 8.290 nan 0.000 0.543 168 A N 0.471 123.295 122.820 0.008 0.000 2.015 168 A HA 0.239 4.559 4.320 0.001 0.000 0.219 168 A C 1.178 178.628 177.584 -0.223 0.000 1.163 168 A CA 0.041 52.076 52.037 -0.004 0.000 0.646 168 A CB -0.253 18.834 19.000 0.145 0.000 0.806 168 A HN 0.328 nan 8.150 nan 0.000 0.448 169 I N 1.501 121.953 120.570 -0.197 0.000 2.742 169 I HA 0.040 4.210 4.170 0.001 0.000 0.287 169 I C -2.228 173.658 176.117 -0.385 0.000 1.186 169 I CA -1.313 59.764 61.300 -0.373 0.000 1.417 169 I CB 0.398 38.330 38.000 -0.113 0.000 1.377 169 I HN 0.065 nan 8.210 nan 0.000 0.556 170 P HA 0.046 nan 4.420 nan 0.000 0.265 170 P C 0.887 178.081 177.300 -0.177 0.000 1.193 170 P CA 0.907 63.801 63.100 -0.342 0.000 0.765 170 P CB 0.816 32.301 31.700 -0.359 0.000 0.823 171 G N 4.060 112.799 108.800 -0.102 0.000 4.610 171 G HA2 -0.414 3.546 3.960 0.001 0.000 0.323 171 G HA3 -0.414 3.546 3.960 0.001 0.000 0.323 171 G C 1.154 176.035 174.900 -0.032 0.000 1.377 171 G CA 0.527 45.593 45.100 -0.056 0.000 1.023 171 G HN 0.592 nan 8.290 nan 0.000 0.755 172 I N 0.268 120.811 120.570 -0.044 0.000 2.264 172 I HA 0.120 4.291 4.170 0.001 0.000 0.248 172 I C 2.703 178.829 176.117 0.016 0.000 1.111 172 I CA 2.311 63.595 61.300 -0.027 0.000 1.382 172 I CB -1.268 36.703 38.000 -0.047 0.000 1.060 172 I HN 0.721 nan 8.210 nan 0.000 0.418 173 G N 1.170 109.974 108.800 0.008 0.000 2.728 173 G HA2 -0.421 3.540 3.960 0.001 0.000 0.224 173 G HA3 -0.421 3.540 3.960 0.001 0.000 0.224 173 G C 1.641 176.630 174.900 0.147 0.000 1.123 173 G CA 1.808 46.944 45.100 0.060 0.000 0.755 173 G HN 0.616 nan 8.290 nan 0.000 0.622 174 H N 0.725 119.810 119.070 0.026 0.000 2.428 174 H HA 0.103 4.660 4.556 0.001 0.000 0.296 174 H C 2.710 178.077 175.328 0.065 0.000 1.062 174 H CA 1.464 57.541 56.048 0.048 0.000 1.350 174 H CB -0.191 29.589 29.762 0.030 0.000 1.403 174 H HN 0.326 nan 8.280 nan 0.000 0.533 175 S N 0.494 116.298 115.700 0.174 0.000 2.345 175 S HA -0.067 4.403 4.470 0.001 0.000 0.219 175 S C 2.339 177.028 174.600 0.148 0.000 1.031 175 S CA 0.910 59.163 58.200 0.087 0.000 0.984 175 S CB -0.024 63.174 63.200 -0.004 0.000 0.874 175 S HN 0.305 nan 8.310 nan 0.000 0.451 176 I N 2.113 122.753 120.570 0.117 0.000 2.236 176 I HA -0.248 3.922 4.170 0.001 0.000 0.249 176 I C 2.556 178.854 176.117 0.301 0.000 1.102 176 I CA 1.558 62.946 61.300 0.146 0.000 1.365 176 I CB -1.407 36.684 38.000 0.152 0.000 1.051 176 I HN 0.433 nan 8.210 nan 0.000 0.420 177 Q N 0.337 120.312 119.800 0.292 0.000 2.020 177 Q HA -0.154 4.186 4.340 0.001 0.000 0.198 177 Q C 2.231 178.394 176.000 0.272 0.000 0.974 177 Q CA 2.072 58.048 55.803 0.288 0.000 0.829 177 Q CB 0.060 28.946 28.738 0.247 0.000 0.894 177 Q HN 0.402 nan 8.270 nan 0.000 0.433 178 T N 0.241 114.972 114.554 0.294 0.000 2.699 178 T HA -0.218 4.132 4.350 0.001 0.000 0.268 178 T C 0.901 175.737 174.700 0.228 0.000 1.036 178 T CA 1.570 63.808 62.100 0.230 0.000 1.147 178 T CB -0.446 68.525 68.868 0.172 0.000 0.862 178 T HN 0.540 nan 8.240 nan 0.000 0.446 179 W N 1.496 122.825 121.300 0.048 0.000 2.355 179 W HA -0.046 4.614 4.660 0.001 0.000 0.309 179 W C 1.793 178.333 176.519 0.034 0.000 1.206 179 W CA 0.875 58.236 57.345 0.027 0.000 1.284 179 W CB -0.585 28.881 29.460 0.010 0.000 1.145 179 W HN 0.154 nan 8.180 nan 0.000 0.502 180 L N 0.273 121.583 121.223 0.146 0.000 2.042 180 L HA -0.260 4.080 4.340 0.001 0.000 0.210 180 L C 2.422 179.266 176.870 -0.045 0.000 1.076 180 L CA 1.417 56.217 54.840 -0.066 0.000 0.749 180 L CB -0.961 41.159 42.059 0.102 0.000 0.893 180 L HN 0.106 nan 8.230 nan 0.000 0.432 181 L N -0.723 120.512 121.223 0.019 0.000 2.395 181 L HA 0.042 4.382 4.340 0.001 0.000 0.218 181 L C 1.632 178.464 176.870 -0.063 0.000 1.130 181 L CA 0.612 55.438 54.840 -0.024 0.000 0.826 181 L CB -0.609 41.465 42.059 0.026 0.000 0.941 181 L HN 0.512 nan 8.230 nan 0.000 0.451 182 G N 0.057 108.821 108.800 -0.060 0.000 2.187 182 G HA2 -0.188 3.772 3.960 0.001 0.000 0.261 182 G HA3 -0.188 3.772 3.960 0.001 0.000 0.261 182 G C 0.432 175.320 174.900 -0.020 0.000 1.000 182 G CA 0.281 45.342 45.100 -0.064 0.000 0.718 182 G HN 0.683 nan 8.290 nan 0.000 0.519 183 G N -1.646 107.161 108.800 0.012 0.000 2.427 183 G HA2 0.709 4.669 3.960 0.001 0.000 0.306 183 G HA3 0.709 4.669 3.960 0.001 0.000 0.306 183 G C -2.386 172.548 174.900 0.058 0.000 1.280 183 G CA 0.350 45.466 45.100 0.027 0.000 0.837 183 G HN 0.320 nan 8.290 nan 0.000 0.482 184 P HA 0.461 nan 4.420 nan 0.000 0.262 184 P C 0.057 177.400 177.300 0.073 0.000 1.304 184 P CA 0.947 64.098 63.100 0.085 0.000 0.859 184 P CB 0.844 32.589 31.700 0.075 0.000 1.310 185 A N -1.037 121.813 122.820 0.051 0.000 2.567 185 A HA 0.376 4.697 4.320 0.001 0.000 0.291 185 A C -1.153 176.436 177.584 0.008 0.000 1.048 185 A CA -0.536 51.522 52.037 0.035 0.000 0.661 185 A CB 0.830 19.868 19.000 0.063 0.000 1.288 185 A HN -0.200 nan 8.150 nan 0.000 0.424 186 V N 2.156 122.032 119.914 -0.064 0.000 2.425 186 V HA 0.353 4.474 4.120 0.001 0.000 0.276 186 V C 0.224 176.408 176.094 0.150 0.000 1.017 186 V CA 1.450 63.694 62.300 -0.093 0.000 1.062 186 V CB 0.239 31.801 31.823 -0.435 0.000 0.997 186 V HN 1.014 nan 8.190 nan 0.000 0.476 187 D N 3.321 123.804 120.400 0.137 0.000 2.958 187 D HA 0.226 4.867 4.640 0.001 0.000 0.306 187 D C 1.036 177.324 176.300 -0.020 0.000 1.226 187 D CA -0.556 53.547 54.000 0.171 0.000 1.032 187 D CB 0.945 41.785 40.800 0.066 0.000 1.400 187 D HN 0.212 nan 8.370 nan 0.000 0.587 188 N N -0.308 118.290 118.700 -0.169 0.000 2.036 188 N HA -0.188 4.553 4.740 0.001 0.000 0.195 188 N C 1.633 176.970 175.510 -0.288 0.000 1.037 188 N CA 2.526 55.353 53.050 -0.372 0.000 0.855 188 N CB -0.384 37.839 38.487 -0.441 0.000 1.033 188 N HN 0.381 nan 8.380 nan 0.000 0.423 189 A N -1.022 121.684 122.820 -0.190 0.000 2.042 189 A HA -0.210 4.110 4.320 0.001 0.000 0.222 189 A C 2.204 179.678 177.584 -0.183 0.000 1.167 189 A CA 2.328 54.273 52.037 -0.153 0.000 0.649 189 A CB -1.161 17.775 19.000 -0.107 0.000 0.809 189 A HN 0.518 nan 8.150 nan 0.000 0.457 190 T N -0.320 114.091 114.554 -0.238 0.000 2.735 190 T HA -0.049 4.301 4.350 0.001 0.000 0.256 190 T C 1.844 176.231 174.700 -0.522 0.000 1.042 190 T CA 1.155 63.008 62.100 -0.411 0.000 1.147 190 T CB -0.508 68.109 68.868 -0.418 0.000 0.865 190 T HN 0.361 nan 8.240 nan 0.000 0.421 191 L N 2.057 123.030 121.223 -0.417 0.000 2.021 191 L HA -0.163 4.177 4.340 0.001 0.000 0.215 191 L C 1.969 178.776 176.870 -0.105 0.000 1.074 191 L CA 1.966 56.609 54.840 -0.329 0.000 0.760 191 L CB -1.071 40.569 42.059 -0.698 0.000 0.889 191 L HN 0.289 nan 8.230 nan 0.000 0.433 192 N N -0.721 117.897 118.700 -0.137 0.000 2.084 192 N HA -0.259 4.482 4.740 0.001 0.000 0.190 192 N C 1.998 177.584 175.510 0.127 0.000 1.030 192 N CA 1.451 54.502 53.050 0.002 0.000 0.849 192 N CB -0.162 38.287 38.487 -0.064 0.000 1.012 192 N HN 0.527 nan 8.380 nan 0.000 0.423 193 R N -0.750 119.791 120.500 0.068 0.000 2.189 193 R HA -0.059 4.281 4.340 0.001 0.000 0.218 193 R C 1.223 177.702 176.300 0.298 0.000 1.074 193 R CA 0.880 57.058 56.100 0.130 0.000 0.991 193 R CB -0.454 29.873 30.300 0.044 0.000 0.883 193 R HN 0.188 nan 8.270 nan 0.000 0.457 194 F N 0.701 120.674 119.950 0.038 0.000 2.259 194 F HA 0.013 4.541 4.527 0.001 0.000 0.298 194 F C 1.988 177.860 175.800 0.121 0.000 1.088 194 F CA -0.186 57.837 58.000 0.037 0.000 1.358 194 F CB -0.758 38.239 39.000 -0.005 0.000 1.040 194 F HN -0.057 nan 8.300 nan 0.000 0.505 195 F N 0.366 120.465 119.950 0.248 0.000 2.075 195 F HA -0.204 4.323 4.527 0.001 0.000 0.297 195 F C 2.768 178.706 175.800 0.231 0.000 1.113 195 F CA 1.792 59.927 58.000 0.225 0.000 1.218 195 F CB -1.066 38.072 39.000 0.231 0.000 0.984 195 F HN -0.079 nan 8.300 nan 0.000 0.472 196 S N 0.144 115.888 115.700 0.072 0.000 2.387 196 S HA -0.185 4.285 4.470 0.001 0.000 0.230 196 S C 2.099 176.676 174.600 -0.038 0.000 1.035 196 S CA 1.750 59.919 58.200 -0.051 0.000 1.014 196 S CB -0.543 62.688 63.200 0.051 0.000 0.836 196 S HN 0.456 nan 8.310 nan 0.000 0.466 197 L N -0.139 121.094 121.223 0.017 0.000 2.209 197 L HA 0.064 4.405 4.340 0.001 0.000 0.207 197 L C 2.484 179.348 176.870 -0.010 0.000 1.094 197 L CA 1.209 56.047 54.840 -0.004 0.000 0.790 197 L CB -0.594 41.446 42.059 -0.030 0.000 0.932 197 L HN 0.379 nan 8.230 nan 0.000 0.447 198 H N -0.793 118.215 119.070 -0.102 0.000 2.422 198 H HA -0.255 4.302 4.556 0.001 0.000 0.298 198 H C 2.010 177.248 175.328 -0.149 0.000 1.098 198 H CA 1.802 57.778 56.048 -0.120 0.000 1.315 198 H CB -0.036 29.670 29.762 -0.094 0.000 1.382 198 H HN 0.247 nan 8.280 nan 0.000 0.523 199 Y N -0.079 120.007 120.300 -0.358 0.000 2.153 199 Y HA -0.113 4.437 4.550 0.001 0.000 0.289 199 Y C 2.399 178.139 175.900 -0.267 0.000 1.127 199 Y CA 1.414 59.285 58.100 -0.382 0.000 1.131 199 Y CB -0.861 37.370 38.460 -0.383 0.000 0.995 199 Y HN 0.334 nan 8.280 nan 0.000 0.505 200 L N -0.006 121.293 121.223 0.128 0.000 2.012 200 L HA -0.210 4.131 4.340 0.001 0.000 0.210 200 L C 2.199 179.098 176.870 0.048 0.000 1.073 200 L CA 1.693 56.618 54.840 0.143 0.000 0.748 200 L CB -1.079 41.022 42.059 0.070 0.000 0.891 200 L HN 0.307 nan 8.230 nan 0.000 0.431 201 L N -0.430 120.761 121.223 -0.052 0.000 2.042 201 L HA -0.186 4.154 4.340 0.001 0.000 0.210 201 L C 0.042 176.834 176.870 -0.131 0.000 1.076 201 L CA 1.778 56.575 54.840 -0.072 0.000 0.749 201 L CB -1.878 40.138 42.059 -0.072 0.000 0.893 201 L HN 0.276 nan 8.230 nan 0.000 0.432 202 P HA -0.181 nan 4.420 nan 0.000 0.216 202 P C 1.414 178.531 177.300 -0.305 0.000 1.150 202 P CA 1.435 64.331 63.100 -0.340 0.000 0.837 202 P CB -0.030 31.356 31.700 -0.523 0.000 0.786 203 F N -1.293 118.652 119.950 -0.008 0.000 2.234 203 F HA -0.124 4.403 4.527 0.001 0.000 0.299 203 F C 2.259 178.061 175.800 0.004 0.000 1.087 203 F CA 0.833 58.836 58.000 0.004 0.000 1.340 203 F CB -1.611 37.398 39.000 0.014 0.000 1.031 203 F HN -0.231 nan 8.300 nan 0.000 0.500 204 V N 0.200 120.193 119.914 0.132 0.000 2.307 204 V HA -0.264 3.857 4.120 0.001 0.000 0.245 204 V C 2.397 178.523 176.094 0.053 0.000 1.045 204 V CA 1.499 63.850 62.300 0.084 0.000 1.024 204 V CB -0.588 31.265 31.823 0.049 0.000 0.651 204 V HN 0.252 nan 8.190 nan 0.000 0.449 205 I N 0.681 121.260 120.570 0.015 0.000 2.163 205 I HA -0.299 3.871 4.170 0.001 0.000 0.243 205 I C 2.761 178.907 176.117 0.048 0.000 1.085 205 I CA 1.653 62.960 61.300 0.011 0.000 1.347 205 I CB -0.718 37.276 38.000 -0.010 0.000 1.044 205 I HN 0.313 nan 8.210 nan 0.000 0.408 206 A N 0.934 123.787 122.820 0.055 0.000 1.892 206 A HA -0.286 4.034 4.320 0.001 0.000 0.218 206 A C 2.562 180.204 177.584 0.097 0.000 1.188 206 A CA 2.405 54.491 52.037 0.082 0.000 0.631 206 A CB -1.008 18.062 19.000 0.117 0.000 0.822 206 A HN 0.481 nan 8.150 nan 0.000 0.447 207 A N -0.400 122.481 122.820 0.102 0.000 1.883 207 A HA -0.082 4.238 4.320 0.001 0.000 0.217 207 A C 2.210 179.857 177.584 0.105 0.000 1.186 207 A CA 1.631 53.725 52.037 0.095 0.000 0.624 207 A CB -0.687 18.366 19.000 0.088 0.000 0.822 207 A HN 0.502 nan 8.150 nan 0.000 0.444 208 L N -0.343 120.937 121.223 0.094 0.000 2.017 208 L HA -0.172 4.168 4.340 0.001 0.000 0.208 208 L C 2.465 179.426 176.870 0.152 0.000 1.073 208 L CA 1.215 56.117 54.840 0.103 0.000 0.745 208 L CB -0.716 41.377 42.059 0.056 0.000 0.894 208 L HN 0.251 nan 8.230 nan 0.000 0.432 209 V N 0.225 120.226 119.914 0.145 0.000 2.568 209 V HA -0.319 3.802 4.120 0.001 0.000 0.253 209 V C 2.735 178.966 176.094 0.229 0.000 1.072 209 V CA 1.669 64.100 62.300 0.218 0.000 1.084 209 V CB -1.169 30.758 31.823 0.173 0.000 0.676 209 V HN 0.489 nan 8.190 nan 0.000 0.469 210 A N 0.482 123.401 122.820 0.165 0.000 1.845 210 A HA -0.161 4.159 4.320 0.001 0.000 0.215 210 A C 2.169 179.874 177.584 0.203 0.000 1.195 210 A CA 1.991 54.109 52.037 0.135 0.000 0.616 210 A CB -0.535 18.523 19.000 0.097 0.000 0.832 210 A HN 0.481 nan 8.150 nan 0.000 0.443 211 I N -1.100 119.619 120.570 0.248 0.000 2.361 211 I HA -0.252 3.918 4.170 0.001 0.000 0.251 211 I C 2.501 178.773 176.117 0.258 0.000 1.133 211 I CA 1.727 63.211 61.300 0.306 0.000 1.413 211 I CB -0.535 37.605 38.000 0.233 0.000 1.073 211 I HN 0.551 nan 8.210 nan 0.000 0.424 212 H N 1.512 120.680 119.070 0.163 0.000 2.321 212 H HA -0.125 4.431 4.556 0.001 0.000 0.300 212 H C 2.104 177.582 175.328 0.251 0.000 1.087 212 H CA 1.875 58.050 56.048 0.213 0.000 1.319 212 H CB -0.137 29.764 29.762 0.231 0.000 1.379 212 H HN 0.219 nan 8.280 nan 0.000 0.501 213 I N -1.031 119.606 120.570 0.112 0.000 2.163 213 I HA -0.256 3.915 4.170 0.001 0.000 0.240 213 I C 2.249 178.079 176.117 -0.479 0.000 1.081 213 I CA 1.096 62.157 61.300 -0.397 0.000 1.353 213 I CB -0.474 37.466 38.000 -0.101 0.000 1.054 213 I HN 0.389 nan 8.210 nan 0.000 0.407 214 W N 2.305 123.432 121.300 -0.289 0.000 2.321 214 W HA -0.289 4.371 4.660 0.001 0.000 0.306 214 W C 2.476 178.897 176.519 -0.164 0.000 1.217 214 W CA 1.779 58.999 57.345 -0.208 0.000 1.257 214 W CB -0.678 28.721 29.460 -0.100 0.000 1.145 214 W HN 0.147 nan 8.180 nan 0.000 0.509 215 A N 0.437 123.210 122.820 -0.079 0.000 1.873 215 A HA -0.151 4.169 4.320 0.001 0.000 0.215 215 A C 1.983 179.548 177.584 -0.032 0.000 1.186 215 A CA 1.860 53.808 52.037 -0.147 0.000 0.616 215 A CB -1.687 17.292 19.000 -0.036 0.000 0.823 215 A HN 0.552 nan 8.150 nan 0.000 0.442 216 F N -2.300 117.647 119.950 -0.004 0.000 2.710 216 F HA 0.152 4.679 4.527 0.001 0.000 0.298 216 F C 1.800 177.582 175.800 -0.030 0.000 1.137 216 F CA 0.848 58.826 58.000 -0.038 0.000 1.444 216 F CB -0.712 38.224 39.000 -0.107 0.000 1.111 216 F HN 0.294 nan 8.300 nan 0.000 0.580 217 H N 0.628 119.462 119.070 -0.393 0.000 2.415 217 H HA 0.048 4.604 4.556 0.001 0.000 0.297 217 H C 1.476 176.783 175.328 -0.035 0.000 1.048 217 H CA 1.527 57.447 56.048 -0.214 0.000 1.365 217 H CB 0.114 29.706 29.762 -0.282 0.000 1.421 217 H HN 0.390 nan 8.280 nan 0.000 0.533 218 S N -0.412 115.352 115.700 0.107 0.000 2.667 218 S HA 0.094 4.565 4.470 0.001 0.000 0.251 218 S C 0.921 175.539 174.600 0.031 0.000 1.075 218 S CA 0.091 58.343 58.200 0.085 0.000 1.130 218 S CB 0.313 63.577 63.200 0.106 0.000 0.795 218 S HN 0.187 nan 8.310 nan 0.000 0.462 219 T N -0.077 114.498 114.554 0.036 0.000 3.177 219 T HA 0.465 4.816 4.350 0.001 0.000 0.267 219 T C 0.447 175.167 174.700 0.034 0.000 0.858 219 T CA 0.645 62.764 62.100 0.033 0.000 0.846 219 T CB 0.206 69.099 68.868 0.043 0.000 1.256 219 T HN 1.295 nan 8.240 nan 0.000 0.601 220 G N 2.036 110.857 108.800 0.034 0.000 2.767 220 G HA2 -0.147 3.813 3.960 0.001 0.000 0.686 220 G HA3 -0.147 3.813 3.960 0.001 0.000 0.686 220 G C -0.597 174.324 174.900 0.035 0.000 1.213 220 G CA -0.500 44.608 45.100 0.013 0.000 0.803 220 G HN 0.506 nan 8.290 nan 0.000 0.603 221 N N -0.067 118.635 118.700 0.003 0.000 2.326 221 N HA 0.318 5.058 4.740 0.001 0.000 0.239 221 N C 0.714 176.233 175.510 0.014 0.000 1.301 221 N CA 0.477 53.529 53.050 0.004 0.000 0.909 221 N CB 0.379 38.816 38.487 -0.082 0.000 1.156 221 N HN 0.746 nan 8.380 nan 0.000 0.462 222 N N -0.675 118.085 118.700 0.099 0.000 2.384 222 N HA 0.277 5.018 4.740 0.001 0.000 0.301 222 N C -1.552 173.969 175.510 0.019 0.000 1.133 222 N CA -0.665 52.449 53.050 0.107 0.000 0.853 222 N CB 0.976 39.576 38.487 0.187 0.000 1.241 222 N HN 0.696 nan 8.380 nan 0.000 0.502 223 N N 0.549 119.178 118.700 -0.118 0.000 2.453 223 N HA 0.454 5.194 4.740 0.001 0.000 0.290 223 N C -2.550 172.799 175.510 -0.269 0.000 1.250 223 N CA -1.621 51.155 53.050 -0.455 0.000 0.815 223 N CB 1.830 40.108 38.487 -0.350 0.000 1.381 223 N HN 0.197 nan 8.380 nan 0.000 0.510 224 P HA -0.028 nan 4.420 nan 0.000 0.236 224 P C 0.234 177.644 177.300 0.184 0.000 1.172 224 P CA 1.008 64.065 63.100 -0.072 0.000 0.759 224 P CB 0.154 31.806 31.700 -0.081 0.000 0.843 225 T N -2.878 111.744 114.554 0.113 0.000 3.034 225 T HA 0.230 4.580 4.350 0.001 0.000 0.248 225 T C 1.624 176.473 174.700 0.250 0.000 1.040 225 T CA 0.849 63.092 62.100 0.238 0.000 1.107 225 T CB -0.233 68.741 68.868 0.176 0.000 0.932 225 T HN 0.182 nan 8.240 nan 0.000 0.474 226 G N 1.257 110.143 108.800 0.143 0.000 2.205 226 G HA2 -0.252 3.708 3.960 0.001 0.000 0.261 226 G HA3 -0.252 3.708 3.960 0.001 0.000 0.261 226 G C 0.290 175.226 174.900 0.060 0.000 0.980 226 G CA 0.207 45.366 45.100 0.099 0.000 0.632 226 G HN 0.534 nan 8.290 nan 0.000 0.533 227 V N 1.353 121.308 119.914 0.067 0.000 2.530 227 V HA 0.528 4.648 4.120 0.001 0.000 0.282 227 V C 1.019 177.119 176.094 0.009 0.000 1.048 227 V CA -0.334 61.985 62.300 0.031 0.000 0.997 227 V CB 1.649 33.492 31.823 0.032 0.000 0.987 227 V HN 0.432 nan 8.190 nan 0.000 0.477 228 E N 3.270 123.470 120.200 0.000 0.000 2.585 228 E HA 0.229 4.579 4.350 0.001 0.000 0.256 228 E C -0.613 175.984 176.600 -0.005 0.000 1.383 228 E CA -0.101 56.297 56.400 -0.005 0.000 1.029 228 E CB 0.762 30.459 29.700 -0.004 0.000 1.044 228 E HN 0.371 nan 8.360 nan 0.000 0.595 229 V N 2.165 122.077 119.914 -0.004 0.000 2.427 229 V HA 0.320 4.441 4.120 0.001 0.000 0.286 229 V C 0.202 176.301 176.094 0.008 0.000 1.034 229 V CA -0.474 61.826 62.300 -0.000 0.000 0.893 229 V CB 1.347 33.171 31.823 0.001 0.000 0.982 229 V HN 0.521 nan 8.190 nan 0.000 0.452 230 R N 4.488 124.994 120.500 0.010 0.000 2.483 230 R HA 0.085 4.426 4.340 0.001 0.000 0.329 230 R C 0.455 176.767 176.300 0.020 0.000 0.961 230 R CA -0.097 56.010 56.100 0.013 0.000 1.041 230 R CB 0.261 30.569 30.300 0.012 0.000 0.930 230 R HN 0.504 nan 8.270 nan 0.000 0.413 231 R N 2.010 122.522 120.500 0.021 0.000 2.555 231 R HA 0.010 4.351 4.340 0.001 0.000 0.272 231 R C 0.845 177.163 176.300 0.029 0.000 1.089 231 R CA 0.241 56.358 56.100 0.029 0.000 1.126 231 R CB 0.101 30.418 30.300 0.028 0.000 1.250 231 R HN 0.640 nan 8.270 nan 0.000 0.551 232 T N -3.067 111.502 114.554 0.025 0.000 3.014 232 T HA 0.072 4.422 4.350 0.001 0.000 0.250 232 T C 0.776 175.492 174.700 0.026 0.000 1.060 232 T CA -0.005 62.109 62.100 0.024 0.000 1.040 232 T CB 0.309 69.188 68.868 0.018 0.000 0.971 232 T HN 0.165 nan 8.240 nan 0.000 0.497 233 S N -0.246 115.471 115.700 0.029 0.000 2.548 233 S HA 0.423 4.893 4.470 0.001 0.000 0.278 233 S C 0.103 174.724 174.600 0.035 0.000 1.150 233 S CA -1.057 57.161 58.200 0.030 0.000 0.907 233 S CB 1.925 65.139 63.200 0.023 0.000 1.108 233 S HN 0.077 nan 8.310 nan 0.000 0.459 234 K N 1.325 121.749 120.400 0.039 0.000 2.293 234 K HA -0.171 4.150 4.320 0.001 0.000 0.204 234 K C 2.120 178.741 176.600 0.035 0.000 1.045 234 K CA 1.646 57.959 56.287 0.044 0.000 0.933 234 K CB -0.461 32.064 32.500 0.043 0.000 0.736 234 K HN 0.720 nan 8.250 nan 0.000 0.463 235 A N 2.178 125.014 122.820 0.028 0.000 1.854 235 A HA -0.187 4.133 4.320 0.001 0.000 0.214 235 A C 2.003 179.598 177.584 0.019 0.000 1.192 235 A CA 1.498 53.547 52.037 0.021 0.000 0.611 235 A CB -0.336 18.675 19.000 0.018 0.000 0.832 235 A HN 0.494 nan 8.150 nan 0.000 0.442 236 E N -0.259 119.953 120.200 0.019 0.000 2.435 236 E HA 0.214 4.564 4.350 0.001 0.000 0.195 236 E C 1.751 178.362 176.600 0.019 0.000 1.029 236 E CA 0.683 57.094 56.400 0.017 0.000 0.865 236 E CB -0.190 29.519 29.700 0.015 0.000 0.833 236 E HN 0.447 nan 8.360 nan 0.000 0.510 237 A N 1.691 124.526 122.820 0.025 0.000 1.897 237 A HA -0.209 4.111 4.320 0.001 0.000 0.215 237 A C 2.254 179.852 177.584 0.023 0.000 1.181 237 A CA 1.458 53.512 52.037 0.029 0.000 0.620 237 A CB -0.439 18.588 19.000 0.045 0.000 0.821 237 A HN 0.259 nan 8.150 nan 0.000 0.443 238 Q N 0.035 119.848 119.800 0.022 0.000 2.291 238 Q HA -0.112 4.228 4.340 0.001 0.000 0.206 238 Q C 1.679 177.676 176.000 -0.005 0.000 0.976 238 Q CA 1.533 57.342 55.803 0.009 0.000 0.875 238 Q CB -0.128 28.617 28.738 0.013 0.000 0.927 238 Q HN 0.457 nan 8.270 nan 0.000 0.450 239 K N 0.234 120.639 120.400 0.008 0.000 2.155 239 K HA -0.068 4.253 4.320 0.001 0.000 0.203 239 K C 1.105 177.717 176.600 0.020 0.000 1.052 239 K CA 1.218 57.515 56.287 0.018 0.000 0.948 239 K CB 0.082 32.595 32.500 0.022 0.000 0.728 239 K HN 0.369 nan 8.250 nan 0.000 0.448 240 D N 0.335 120.737 120.400 0.003 0.000 2.305 240 D HA -0.046 4.594 4.640 0.001 0.000 0.206 240 D C 1.334 177.600 176.300 -0.057 0.000 0.974 240 D CA 0.631 54.623 54.000 -0.012 0.000 0.871 240 D CB 0.409 41.206 40.800 -0.006 0.000 0.947 240 D HN 0.316 nan 8.370 nan 0.000 0.516 241 T N -2.256 112.269 114.554 -0.049 0.000 2.864 241 T HA 0.632 4.982 4.350 0.001 0.000 0.276 241 T C -0.229 174.395 174.700 -0.127 0.000 1.006 241 T CA -0.765 61.300 62.100 -0.058 0.000 0.970 241 T CB 2.162 71.035 68.868 0.009 0.000 1.420 241 T HN -0.176 nan 8.240 nan 0.000 0.601 242 V N 1.194 121.052 119.914 -0.094 0.000 2.971 242 V HA 0.462 4.582 4.120 0.001 0.000 0.281 242 V C -2.932 173.182 176.094 0.033 0.000 1.470 242 V CA -1.745 60.429 62.300 -0.210 0.000 0.966 242 V CB 2.673 34.169 31.823 -0.546 0.000 1.156 242 V HN 0.890 nan 8.190 nan 0.000 0.441 243 P HA 0.181 nan 4.420 nan 0.000 0.268 243 P C 0.399 177.913 177.300 0.358 0.000 1.204 243 P CA 0.055 63.315 63.100 0.266 0.000 0.768 243 P CB 0.351 32.193 31.700 0.236 0.000 0.842 244 F N 3.933 124.041 119.950 0.264 0.000 2.063 244 F HA -0.125 4.402 4.527 0.001 0.000 0.298 244 F C 0.552 176.532 175.800 0.299 0.000 1.109 244 F CA 1.038 59.247 58.000 0.348 0.000 1.212 244 F CB -0.516 38.677 39.000 0.322 0.000 0.973 244 F HN 0.324 nan 8.300 nan 0.000 0.480 245 W N 3.665 124.885 121.300 -0.134 0.000 2.351 245 W HA 0.274 4.934 4.660 0.001 0.000 0.311 245 W C -2.253 174.130 176.519 -0.227 0.000 1.168 245 W CA -1.867 55.295 57.345 -0.304 0.000 1.200 245 W CB 1.143 30.477 29.460 -0.209 0.000 1.221 245 W HN -0.004 nan 8.180 nan 0.000 0.519 246 P HA 0.002 nan 4.420 nan 0.000 0.275 246 P C 0.603 177.397 177.300 -0.843 0.000 1.310 246 P CA 0.328 62.554 63.100 -1.457 0.000 0.904 246 P CB 0.255 30.716 31.700 -2.065 0.000 1.381 247 Y N -0.259 119.742 120.300 -0.498 0.000 2.097 247 Y HA -0.169 4.382 4.550 0.001 0.000 0.282 247 Y C 2.098 177.716 175.900 -0.471 0.000 1.152 247 Y CA 1.802 59.598 58.100 -0.506 0.000 1.136 247 Y CB -1.346 36.746 38.460 -0.613 0.000 0.975 247 Y HN -0.126 nan 8.280 nan 0.000 0.498 248 F N -1.503 118.462 119.950 0.025 0.000 2.446 248 F HA 0.050 4.578 4.527 0.001 0.000 0.292 248 F C 2.168 177.972 175.800 0.008 0.000 1.096 248 F CA 0.092 58.150 58.000 0.097 0.000 1.438 248 F CB -0.752 38.500 39.000 0.420 0.000 1.107 248 F HN -0.044 nan 8.300 nan 0.000 0.546 249 I N -0.639 119.833 120.570 -0.163 0.000 2.361 249 I HA -0.285 3.885 4.170 0.001 0.000 0.251 249 I C 2.116 178.289 176.117 0.094 0.000 1.133 249 I CA 1.190 62.450 61.300 -0.067 0.000 1.413 249 I CB -0.322 37.638 38.000 -0.066 0.000 1.073 249 I HN 0.050 nan 8.210 nan 0.000 0.424 250 I N 0.651 121.233 120.570 0.020 0.000 2.406 250 I HA -0.214 3.956 4.170 0.001 0.000 0.249 250 I C 2.438 178.668 176.117 0.189 0.000 1.122 250 I CA 1.376 62.715 61.300 0.066 0.000 1.431 250 I CB -0.470 37.493 38.000 -0.061 0.000 1.087 250 I HN 0.065 nan 8.210 nan 0.000 0.424 251 K N 0.550 121.064 120.400 0.190 0.000 1.973 251 K HA -0.233 4.088 4.320 0.001 0.000 0.212 251 K C 1.794 178.607 176.600 0.356 0.000 1.047 251 K CA 2.139 58.602 56.287 0.293 0.000 0.937 251 K CB -0.198 32.443 32.500 0.234 0.000 0.721 251 K HN 0.145 nan 8.250 nan 0.000 0.440 252 D N 0.184 120.758 120.400 0.289 0.000 2.126 252 D HA -0.184 4.456 4.640 0.001 0.000 0.190 252 D C 1.892 178.295 176.300 0.172 0.000 1.001 252 D CA 1.423 55.560 54.000 0.228 0.000 0.841 252 D CB -0.358 40.605 40.800 0.273 0.000 0.949 252 D HN 0.036 nan 8.370 nan 0.000 0.446 253 V N 0.658 120.684 119.914 0.187 0.000 2.407 253 V HA -0.233 3.887 4.120 0.001 0.000 0.248 253 V C 2.082 178.260 176.094 0.140 0.000 1.055 253 V CA 1.390 63.775 62.300 0.142 0.000 1.049 253 V CB -0.587 31.330 31.823 0.157 0.000 0.662 253 V HN 0.151 nan 8.190 nan 0.000 0.455 254 F N 1.869 121.891 119.950 0.119 0.000 2.102 254 F HA -0.140 4.388 4.527 0.001 0.000 0.298 254 F C 2.253 178.125 175.800 0.119 0.000 1.105 254 F CA 1.393 59.468 58.000 0.125 0.000 1.239 254 F CB -0.875 38.232 39.000 0.178 0.000 0.991 254 F HN 0.073 nan 8.300 nan 0.000 0.474 255 A N 0.931 123.612 122.820 -0.231 0.000 1.865 255 A HA -0.199 4.121 4.320 0.001 0.000 0.217 255 A C 2.167 179.558 177.584 -0.322 0.000 1.191 255 A CA 1.810 53.648 52.037 -0.332 0.000 0.623 255 A CB -1.527 17.508 19.000 0.058 0.000 0.826 255 A HN 0.516 nan 8.150 nan 0.000 0.444 256 L N -0.168 120.944 121.223 -0.185 0.000 2.137 256 L HA -0.179 4.162 4.340 0.001 0.000 0.213 256 L C 2.537 179.276 176.870 -0.219 0.000 1.085 256 L CA 2.229 56.948 54.840 -0.201 0.000 0.760 256 L CB -0.880 41.093 42.059 -0.145 0.000 0.893 256 L HN 0.384 nan 8.230 nan 0.000 0.434 257 A N -1.544 121.166 122.820 -0.184 0.000 1.897 257 A HA -0.069 4.251 4.320 0.001 0.000 0.215 257 A C 2.187 179.700 177.584 -0.118 0.000 1.181 257 A CA 1.622 53.590 52.037 -0.115 0.000 0.620 257 A CB -0.840 18.138 19.000 -0.037 0.000 0.821 257 A HN 0.291 nan 8.150 nan 0.000 0.443 258 V N -0.263 119.500 119.914 -0.252 0.000 2.427 258 V HA -0.190 3.930 4.120 0.001 0.000 0.248 258 V C 2.519 178.562 176.094 -0.085 0.000 1.051 258 V CA 1.735 63.917 62.300 -0.195 0.000 1.048 258 V CB -0.942 30.664 31.823 -0.362 0.000 0.666 258 V HN 0.340 nan 8.190 nan 0.000 0.456 259 V N 0.181 120.031 119.914 -0.106 0.000 2.233 259 V HA -0.277 3.843 4.120 0.001 0.000 0.247 259 V C 2.379 178.527 176.094 0.091 0.000 1.050 259 V CA 2.188 64.487 62.300 -0.001 0.000 1.010 259 V CB -0.666 31.135 31.823 -0.036 0.000 0.637 259 V HN 0.432 nan 8.190 nan 0.000 0.444 260 L N -0.479 120.777 121.223 0.055 0.000 2.187 260 L HA -0.211 4.130 4.340 0.001 0.000 0.213 260 L C 2.460 179.567 176.870 0.394 0.000 1.100 260 L CA 1.128 56.120 54.840 0.253 0.000 0.765 260 L CB -0.676 41.481 42.059 0.165 0.000 0.904 260 L HN 0.387 nan 8.230 nan 0.000 0.437 261 L N -0.379 120.976 121.223 0.219 0.000 1.994 261 L HA -0.159 4.181 4.340 0.001 0.000 0.208 261 L C 2.373 179.380 176.870 0.228 0.000 1.071 261 L CA 1.836 56.799 54.840 0.206 0.000 0.745 261 L CB -0.604 41.517 42.059 0.102 0.000 0.892 261 L HN -0.079 nan 8.230 nan 0.000 0.431 262 V N -0.362 119.663 119.914 0.185 0.000 2.343 262 V HA -0.276 3.845 4.120 0.001 0.000 0.247 262 V C 2.375 178.600 176.094 0.218 0.000 1.051 262 V CA 1.926 64.331 62.300 0.175 0.000 1.036 262 V CB -1.023 30.887 31.823 0.145 0.000 0.654 262 V HN 0.564 nan 8.190 nan 0.000 0.451 263 F N 0.833 120.827 119.950 0.074 0.000 2.091 263 F HA -0.217 4.311 4.527 0.001 0.000 0.299 263 F C 2.019 177.771 175.800 -0.079 0.000 1.103 263 F CA 1.614 59.609 58.000 -0.009 0.000 1.228 263 F CB -0.658 38.297 39.000 -0.076 0.000 0.984 263 F HN 0.156 nan 8.300 nan 0.000 0.477 264 F N 0.399 120.268 119.950 -0.135 0.000 2.234 264 F HA -0.023 4.504 4.527 0.001 0.000 0.299 264 F C 2.559 178.289 175.800 -0.117 0.000 1.087 264 F CA 1.135 58.994 58.000 -0.236 0.000 1.340 264 F CB -1.265 37.692 39.000 -0.072 0.000 1.031 264 F HN 0.089 nan 8.300 nan 0.000 0.500 265 A N 0.376 123.307 122.820 0.184 0.000 1.908 265 A HA -0.167 4.153 4.320 0.001 0.000 0.218 265 A C 2.251 179.967 177.584 0.220 0.000 1.181 265 A CA 1.577 53.792 52.037 0.297 0.000 0.627 265 A CB -0.770 18.380 19.000 0.251 0.000 0.818 265 A HN 0.248 nan 8.150 nan 0.000 0.445 266 I N -0.127 120.484 120.570 0.068 0.000 2.163 266 I HA -0.157 4.013 4.170 0.001 0.000 0.240 266 I C 2.479 178.546 176.117 -0.082 0.000 1.081 266 I CA 1.213 62.531 61.300 0.029 0.000 1.353 266 I CB -1.392 36.646 38.000 0.063 0.000 1.054 266 I HN 0.141 nan 8.210 nan 0.000 0.407 267 V N 1.253 121.012 119.914 -0.259 0.000 2.594 267 V HA -0.160 3.961 4.120 0.001 0.000 0.253 267 V C 2.498 178.463 176.094 -0.215 0.000 1.069 267 V CA 1.911 64.033 62.300 -0.297 0.000 1.082 267 V CB -1.271 30.232 31.823 -0.535 0.000 0.680 267 V HN 0.540 nan 8.190 nan 0.000 0.469 268 G N -1.357 107.297 108.800 -0.244 0.000 2.490 268 G HA2 -0.042 3.918 3.960 0.001 0.000 0.211 268 G HA3 -0.042 3.918 3.960 0.001 0.000 0.211 268 G C 1.264 175.819 174.900 -0.575 0.000 1.159 268 G CA 0.354 45.197 45.100 -0.428 0.000 0.819 268 G HN 0.479 nan 8.290 nan 0.000 0.539 269 F N 0.367 120.308 119.950 -0.014 0.000 2.505 269 F HA 0.374 4.901 4.527 0.001 0.000 0.289 269 F C 1.713 177.490 175.800 -0.038 0.000 1.101 269 F CA 0.260 58.248 58.000 -0.020 0.000 1.446 269 F CB 0.192 39.184 39.000 -0.013 0.000 1.123 269 F HN 0.036 nan 8.300 nan 0.000 0.564 270 M N -0.170 119.487 119.600 0.094 0.000 3.287 270 M HA 0.397 4.877 4.480 0.001 0.000 0.336 270 M C -2.383 173.924 176.300 0.012 0.000 1.573 270 M CA -1.332 54.005 55.300 0.062 0.000 0.609 270 M CB 0.827 33.471 32.600 0.074 0.000 1.421 270 M HN -0.277 nan 8.290 nan 0.000 0.476 271 P HA -0.137 nan 4.420 nan 0.000 0.219 271 P C 0.287 177.504 177.300 -0.137 0.000 1.146 271 P CA 1.459 64.361 63.100 -0.330 0.000 0.808 271 P CB 0.033 31.105 31.700 -1.048 0.000 0.779 272 N N -1.702 116.981 118.700 -0.028 0.000 2.280 272 N HA -0.035 4.705 4.740 0.001 0.000 0.192 272 N C 1.474 177.081 175.510 0.162 0.000 1.109 272 N CA -0.108 53.028 53.050 0.142 0.000 0.855 272 N CB -0.499 38.116 38.487 0.214 0.000 0.974 272 N HN 0.163 nan 8.380 nan 0.000 0.482 273 Y N 1.814 122.146 120.300 0.053 0.000 2.114 273 Y HA -0.048 4.502 4.550 0.001 0.000 0.284 273 Y C 1.837 177.772 175.900 0.058 0.000 1.143 273 Y CA 1.450 59.577 58.100 0.045 0.000 1.135 273 Y CB -0.362 38.113 38.460 0.026 0.000 0.980 273 Y HN -0.036 nan 8.280 nan 0.000 0.499 274 L N 0.206 121.416 121.223 -0.023 0.000 2.622 274 L HA 0.075 4.415 4.340 0.001 0.000 0.233 274 L C 1.165 178.067 176.870 0.053 0.000 1.156 274 L CA 0.305 55.120 54.840 -0.041 0.000 0.866 274 L CB -1.042 41.134 42.059 0.196 0.000 0.980 274 L HN 0.286 nan 8.230 nan 0.000 0.448 275 G N -2.447 106.386 108.800 0.055 0.000 2.667 275 G HA2 0.275 4.235 3.960 0.001 0.000 0.310 275 G HA3 0.275 4.235 3.960 0.001 0.000 0.310 275 G C -1.391 173.570 174.900 0.102 0.000 1.259 275 G CA -0.386 44.785 45.100 0.117 0.000 1.019 275 G HN -0.015 nan 8.290 nan 0.000 0.496 276 H N 0.526 119.655 119.070 0.099 0.000 2.597 276 H HA 0.340 4.896 4.556 0.001 0.000 0.303 276 H C -1.652 173.752 175.328 0.128 0.000 1.057 276 H CA -2.013 54.093 56.048 0.097 0.000 1.261 276 H CB 2.118 31.945 29.762 0.108 0.000 1.397 276 H HN 0.056 nan 8.280 nan 0.000 0.461 277 P HA -0.137 nan 4.420 nan 0.000 0.220 277 P C 0.845 178.399 177.300 0.423 0.000 1.144 277 P CA 1.028 64.364 63.100 0.393 0.000 0.800 277 P CB 0.458 32.305 31.700 0.244 0.000 0.772 278 D N -1.845 118.866 120.400 0.518 0.000 2.348 278 D HA -0.063 4.577 4.640 0.001 0.000 0.216 278 D C 1.295 177.667 176.300 0.120 0.000 0.970 278 D CA 0.678 54.824 54.000 0.243 0.000 0.889 278 D CB -0.517 40.319 40.800 0.062 0.000 0.912 278 D HN 0.095 nan 8.370 nan 0.000 0.524 279 N N -0.533 118.229 118.700 0.103 0.000 2.383 279 N HA -0.074 4.666 4.740 0.001 0.000 0.192 279 N C 0.055 175.599 175.510 0.057 0.000 1.141 279 N CA 0.173 53.214 53.050 -0.015 0.000 0.851 279 N CB -0.032 38.375 38.487 -0.133 0.000 0.976 279 N HN 0.108 nan 8.380 nan 0.000 0.465 280 Y N -0.324 120.118 120.300 0.236 0.000 2.571 280 Y HA 0.351 4.902 4.550 0.001 0.000 0.275 280 Y C -0.057 175.989 175.900 0.242 0.000 1.179 280 Y CA -0.353 57.944 58.100 0.329 0.000 1.242 280 Y CB 0.389 38.999 38.460 0.251 0.000 1.126 280 Y HN -0.046 nan 8.280 nan 0.000 0.524 281 I N 0.736 121.419 120.570 0.188 0.000 2.406 281 I HA 0.190 4.360 4.170 0.001 0.000 0.290 281 I C 0.207 176.138 176.117 -0.311 0.000 0.999 281 I CA -1.134 60.155 61.300 -0.018 0.000 1.124 281 I CB 1.429 39.440 38.000 0.018 0.000 1.289 281 I HN 0.126 nan 8.210 nan 0.000 0.441 282 E N 3.166 123.023 120.200 -0.572 0.000 2.418 282 E HA 0.235 4.585 4.350 0.001 0.000 0.261 282 E C 0.242 176.587 176.600 -0.424 0.000 1.070 282 E CA -0.309 55.631 56.400 -0.768 0.000 0.931 282 E CB 0.711 30.044 29.700 -0.612 0.000 0.954 282 E HN 0.702 nan 8.360 nan 0.000 0.439 283 A N 3.258 125.801 122.820 -0.461 0.000 2.546 283 A HA -0.008 4.312 4.320 0.001 0.000 0.243 283 A C 0.054 177.324 177.584 -0.522 0.000 1.063 283 A CA 0.004 51.689 52.037 -0.586 0.000 0.757 283 A CB 0.036 18.368 19.000 -1.113 0.000 0.991 283 A HN 0.498 nan 8.150 nan 0.000 0.503 284 N N 2.881 121.326 118.700 -0.425 0.000 2.483 284 N HA 0.398 5.139 4.740 0.001 0.000 0.267 284 N C -2.518 172.795 175.510 -0.327 0.000 0.998 284 N CA -1.986 50.900 53.050 -0.274 0.000 0.918 284 N CB 2.021 40.479 38.487 -0.049 0.000 1.215 284 N HN 0.138 nan 8.380 nan 0.000 0.500 285 P HA 0.123 nan 4.420 nan 0.000 0.237 285 P C 0.676 178.080 177.300 0.174 0.000 1.178 285 P CA 0.763 63.636 63.100 -0.380 0.000 0.766 285 P CB 0.418 31.893 31.700 -0.375 0.000 0.876 286 L N -1.918 119.397 121.223 0.153 0.000 2.728 286 L HA 0.266 4.606 4.340 0.001 0.000 0.238 286 L C 0.588 177.561 176.870 0.172 0.000 1.143 286 L CA 0.121 55.066 54.840 0.175 0.000 0.937 286 L CB 0.205 42.306 42.059 0.069 0.000 1.225 286 L HN -0.177 nan 8.230 nan 0.000 0.507 287 R N -0.137 120.517 120.500 0.258 0.000 2.531 287 R HA 0.310 4.650 4.340 0.001 0.000 0.293 287 R C -0.952 175.294 176.300 -0.090 0.000 1.124 287 R CA -0.215 55.918 56.100 0.054 0.000 0.945 287 R CB 2.208 32.521 30.300 0.020 0.000 1.195 287 R HN -0.173 nan 8.270 nan 0.000 0.433 288 T N 4.831 119.055 114.554 -0.550 0.000 2.743 288 T HA 0.250 4.600 4.350 0.001 0.000 0.293 288 T C -2.265 172.140 174.700 -0.492 0.000 0.945 288 T CA -1.327 60.143 62.100 -1.049 0.000 1.030 288 T CB 1.162 69.265 68.868 -1.275 0.000 0.912 288 T HN 0.189 nan 8.240 nan 0.000 0.483 289 P HA 0.142 nan 4.420 nan 0.000 0.265 289 P C 0.527 177.677 177.300 -0.249 0.000 1.193 289 P CA -0.143 62.836 63.100 -0.201 0.000 0.765 289 P CB 0.459 32.096 31.700 -0.104 0.000 0.823 290 A N 3.496 126.133 122.820 -0.305 0.000 1.978 290 A HA -0.193 4.127 4.320 0.001 0.000 0.220 290 A C 1.065 178.382 177.584 -0.446 0.000 1.170 290 A CA 1.467 53.246 52.037 -0.430 0.000 0.636 290 A CB -0.864 17.778 19.000 -0.596 0.000 0.810 290 A HN 0.619 nan 8.150 nan 0.000 0.448 291 H N -1.301 117.772 119.070 0.006 0.000 2.488 291 H HA 0.289 4.845 4.556 0.001 0.000 0.294 291 H C 0.106 175.505 175.328 0.118 0.000 1.088 291 H CA -0.845 55.240 56.048 0.062 0.000 1.086 291 H CB -0.557 29.266 29.762 0.100 0.000 1.569 291 H HN 0.496 nan 8.280 nan 0.000 0.548 292 I N 2.146 122.736 120.570 0.033 0.000 2.742 292 I HA -0.042 4.129 4.170 0.001 0.000 0.287 292 I C -0.679 175.441 176.117 0.006 0.000 1.186 292 I CA 0.412 61.680 61.300 -0.053 0.000 1.417 292 I CB 0.026 37.959 38.000 -0.112 0.000 1.377 292 I HN -0.180 nan 8.210 nan 0.000 0.556 293 V N 7.667 127.592 119.914 0.019 0.000 2.925 293 V HA 0.482 4.602 4.120 0.001 0.000 0.311 293 V C -2.181 173.816 176.094 -0.163 0.000 1.104 293 V CA -1.341 60.918 62.300 -0.067 0.000 0.954 293 V CB 1.696 33.547 31.823 0.047 0.000 1.022 293 V HN 0.672 nan 8.190 nan 0.000 0.427 294 P HA 0.320 nan 4.420 nan 0.000 0.277 294 P C -0.814 176.277 177.300 -0.347 0.000 1.276 294 P CA -0.559 62.325 63.100 -0.359 0.000 0.788 294 P CB 0.459 31.863 31.700 -0.494 0.000 1.114 295 E N 0.363 120.229 120.200 -0.556 0.000 2.360 295 E HA -0.022 4.328 4.350 0.001 0.000 0.269 295 E C 1.083 177.165 176.600 -0.863 0.000 1.022 295 E CA -0.180 55.672 56.400 -0.913 0.000 0.887 295 E CB -0.128 28.555 29.700 -1.694 0.000 0.990 295 E HN 0.526 nan 8.360 nan 0.000 0.426 296 W N 4.304 125.250 121.300 -0.591 0.000 2.290 296 W HA -0.367 4.294 4.660 0.001 0.000 0.318 296 W C 0.984 177.326 176.519 -0.296 0.000 1.248 296 W CA 1.492 58.625 57.345 -0.353 0.000 1.263 296 W CB -1.077 28.271 29.460 -0.186 0.000 1.147 296 W HN 0.756 nan 8.180 nan 0.000 0.494 297 Y N -2.143 117.227 120.300 -1.551 0.000 2.716 297 Y HA 0.043 4.593 4.550 0.001 0.000 0.302 297 Y C 1.544 177.181 175.900 -0.438 0.000 1.160 297 Y CA 0.227 57.552 58.100 -1.292 0.000 1.362 297 Y CB -1.772 35.505 38.460 -1.972 0.000 0.988 297 Y HN -0.180 nan 8.280 nan 0.000 0.546 298 F N -0.520 119.128 119.950 -0.502 0.000 2.694 298 F HA 0.224 4.751 4.527 0.001 0.000 0.292 298 F C 1.874 177.591 175.800 -0.137 0.000 1.121 298 F CA -1.008 56.849 58.000 -0.238 0.000 1.352 298 F CB -0.636 38.156 39.000 -0.345 0.000 1.107 298 F HN 0.109 nan 8.300 nan 0.000 0.597 299 L N 1.554 122.767 121.223 -0.016 0.000 1.991 299 L HA -0.252 4.089 4.340 0.001 0.000 0.221 299 L C -0.048 176.779 176.870 -0.073 0.000 1.079 299 L CA 2.182 57.012 54.840 -0.017 0.000 0.778 299 L CB -2.131 39.901 42.059 -0.045 0.000 0.893 299 L HN 0.040 nan 8.230 nan 0.000 0.437 300 P HA -0.230 nan 4.420 nan 0.000 0.214 300 P C 1.573 178.511 177.300 -0.602 0.000 1.163 300 P CA 1.892 64.623 63.100 -0.615 0.000 0.889 300 P CB -0.243 30.761 31.700 -1.160 0.000 0.790 301 F N -1.934 117.882 119.950 -0.223 0.000 2.451 301 F HA -0.087 4.440 4.527 0.001 0.000 0.299 301 F C 2.633 178.332 175.800 -0.167 0.000 1.101 301 F CA 0.741 58.601 58.000 -0.233 0.000 1.436 301 F CB -1.353 37.496 39.000 -0.250 0.000 1.074 301 F HN -0.057 nan 8.300 nan 0.000 0.553 302 Y N 0.555 120.773 120.300 -0.136 0.000 2.314 302 Y HA 0.118 4.669 4.550 0.001 0.000 0.294 302 Y C 2.224 178.029 175.900 -0.158 0.000 1.119 302 Y CA 0.672 58.686 58.100 -0.143 0.000 1.179 302 Y CB -0.618 37.768 38.460 -0.123 0.000 1.025 302 Y HN -0.057 nan 8.280 nan 0.000 0.541 303 A N 1.177 123.849 122.820 -0.246 0.000 1.877 303 A HA -0.162 4.158 4.320 0.001 0.000 0.216 303 A C 2.286 179.674 177.584 -0.327 0.000 1.186 303 A CA 2.062 53.883 52.037 -0.360 0.000 0.620 303 A CB -1.198 17.650 19.000 -0.253 0.000 0.822 303 A HN 0.563 nan 8.150 nan 0.000 0.443 304 I N -0.541 119.885 120.570 -0.240 0.000 2.264 304 I HA -0.265 3.905 4.170 0.001 0.000 0.248 304 I C 2.527 178.624 176.117 -0.033 0.000 1.111 304 I CA 1.594 62.826 61.300 -0.112 0.000 1.382 304 I CB -0.268 37.711 38.000 -0.035 0.000 1.060 304 I HN 0.474 nan 8.210 nan 0.000 0.418 305 L N 1.554 122.723 121.223 -0.089 0.000 2.093 305 L HA -0.178 4.162 4.340 0.001 0.000 0.208 305 L C 2.671 179.489 176.870 -0.086 0.000 1.085 305 L CA 1.438 56.257 54.840 -0.034 0.000 0.755 305 L CB -0.261 41.741 42.059 -0.095 0.000 0.904 305 L HN 0.214 nan 8.230 nan 0.000 0.435 306 R N -0.759 119.572 120.500 -0.283 0.000 2.317 306 R HA 0.226 4.567 4.340 0.001 0.000 0.208 306 R C 1.772 177.884 176.300 -0.313 0.000 0.914 306 R CA 0.659 56.584 56.100 -0.293 0.000 1.060 306 R CB -0.354 29.681 30.300 -0.441 0.000 1.015 306 R HN 0.286 nan 8.270 nan 0.000 0.498 307 A N 1.613 124.180 122.820 -0.423 0.000 1.898 307 A HA 0.025 4.346 4.320 0.001 0.000 0.216 307 A C 0.333 177.525 177.584 -0.654 0.000 1.181 307 A CA 0.453 52.123 52.037 -0.612 0.000 0.620 307 A CB -0.360 18.128 19.000 -0.853 0.000 0.819 307 A HN 0.287 nan 8.150 nan 0.000 0.442 308 F N 2.144 122.039 119.950 -0.092 0.000 2.509 308 F HA 0.307 4.834 4.527 0.001 0.000 0.350 308 F C 1.204 176.944 175.800 -0.100 0.000 1.220 308 F CA 0.089 58.041 58.000 -0.080 0.000 1.151 308 F CB -0.331 38.748 39.000 0.132 0.000 1.379 308 F HN 0.143 nan 8.300 nan 0.000 0.610 309 T N -1.464 113.057 114.554 -0.055 0.000 2.936 309 T HA 0.639 4.990 4.350 0.001 0.000 0.282 309 T C 1.393 176.057 174.700 -0.060 0.000 1.003 309 T CA -0.388 61.675 62.100 -0.062 0.000 1.005 309 T CB 1.671 70.473 68.868 -0.110 0.000 1.097 309 T HN 0.416 nan 8.240 nan 0.000 0.532 310 A N 1.085 123.881 122.820 -0.041 0.000 1.971 310 A HA -0.146 4.174 4.320 0.001 0.000 0.222 310 A C 1.559 179.118 177.584 -0.041 0.000 1.182 310 A CA 1.984 54.002 52.037 -0.031 0.000 0.649 310 A CB -1.092 17.899 19.000 -0.014 0.000 0.818 310 A HN 0.970 nan 8.150 nan 0.000 0.458 311 D N -0.704 119.662 120.400 -0.056 0.000 2.706 311 D HA 0.308 4.948 4.640 0.001 0.000 0.236 311 D C -0.347 175.895 176.300 -0.096 0.000 1.231 311 D CA -0.132 53.839 54.000 -0.048 0.000 0.828 311 D CB 0.027 40.802 40.800 -0.043 0.000 1.015 311 D HN 0.138 nan 8.370 nan 0.000 0.484 312 V N 0.697 120.545 119.914 -0.111 0.000 2.667 312 V HA 0.088 4.208 4.120 0.001 0.000 0.308 312 V C 0.757 176.839 176.094 -0.021 0.000 1.048 312 V CA -0.923 61.274 62.300 -0.172 0.000 0.928 312 V CB 2.096 33.821 31.823 -0.163 0.000 1.004 312 V HN 0.178 nan 8.190 nan 0.000 0.444 313 W N 2.205 123.449 121.300 -0.093 0.000 2.332 313 W HA -0.119 4.541 4.660 0.001 0.000 0.321 313 W C 2.058 178.505 176.519 -0.119 0.000 1.219 313 W CA 1.508 58.806 57.345 -0.079 0.000 1.277 313 W CB -1.189 28.255 29.460 -0.026 0.000 1.161 313 W HN 0.462 nan 8.180 nan 0.000 0.476 314 V N 0.084 120.066 119.914 0.115 0.000 2.568 314 V HA -0.274 3.846 4.120 0.001 0.000 0.253 314 V C 2.058 177.972 176.094 -0.301 0.000 1.072 314 V CA 1.470 63.752 62.300 -0.030 0.000 1.084 314 V CB -1.595 30.236 31.823 0.013 0.000 0.676 314 V HN 0.002 nan 8.190 nan 0.000 0.469 315 V N 0.049 119.638 119.914 -0.541 0.000 2.358 315 V HA -0.224 3.896 4.120 0.001 0.000 0.246 315 V C 2.657 178.586 176.094 -0.275 0.000 1.047 315 V CA 1.814 63.645 62.300 -0.782 0.000 1.035 315 V CB -0.653 30.773 31.823 -0.663 0.000 0.658 315 V HN 0.586 nan 8.190 nan 0.000 0.452 316 Q N -0.260 119.469 119.800 -0.119 0.000 2.084 316 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 316 Q C 2.304 178.306 176.000 0.004 0.000 0.978 316 Q CA 1.776 57.565 55.803 -0.024 0.000 0.844 316 Q CB -0.345 28.405 28.738 0.021 0.000 0.898 316 Q HN 0.561 nan 8.270 nan 0.000 0.426 317 I N 1.207 121.775 120.570 -0.004 0.000 2.113 317 I HA -0.286 3.885 4.170 0.001 0.000 0.238 317 I C 2.597 178.765 176.117 0.085 0.000 1.070 317 I CA 1.137 62.460 61.300 0.038 0.000 1.332 317 I CB -0.627 37.389 38.000 0.026 0.000 1.044 317 I HN 0.126 nan 8.210 nan 0.000 0.402 318 A N 0.817 123.664 122.820 0.046 0.000 1.892 318 A HA -0.335 3.986 4.320 0.001 0.000 0.218 318 A C 2.077 179.706 177.584 0.074 0.000 1.188 318 A CA 2.599 54.687 52.037 0.086 0.000 0.631 318 A CB -1.358 17.751 19.000 0.181 0.000 0.822 318 A HN 0.599 nan 8.150 nan 0.000 0.447 319 N N -2.180 116.558 118.700 0.062 0.000 2.205 319 N HA -0.177 4.564 4.740 0.001 0.000 0.186 319 N C 1.481 177.023 175.510 0.052 0.000 1.015 319 N CA 1.490 54.582 53.050 0.070 0.000 0.862 319 N CB -0.207 38.314 38.487 0.057 0.000 0.986 319 N HN 0.477 nan 8.380 nan 0.000 0.429 320 F N 1.851 121.743 119.950 -0.097 0.000 2.059 320 F HA 0.080 4.607 4.527 0.000 0.000 0.289 320 F C 1.800 177.401 175.800 -0.332 0.000 1.128 320 F CA 1.051 58.944 58.000 -0.179 0.000 1.181 320 F CB -0.596 38.317 39.000 -0.146 0.000 1.012 320 F HN 0.023 nan 8.300 nan 0.000 0.473 321 I N 0.081 120.457 120.570 -0.324 0.000 2.908 321 I HA -0.186 3.985 4.170 0.001 0.000 0.271 321 I C 1.670 177.507 176.117 -0.467 0.000 1.275 321 I CA 1.409 62.438 61.300 -0.452 0.000 1.446 321 I CB -1.148 36.784 38.000 -0.113 0.000 1.092 321 I HN 0.319 nan 8.210 nan 0.000 0.482 322 S N -0.378 115.117 115.700 -0.341 0.000 2.603 322 S HA 0.264 4.734 4.470 0.001 0.000 0.232 322 S C 0.509 175.248 174.600 0.232 0.000 1.016 322 S CA -0.600 57.612 58.200 0.019 0.000 0.976 322 S CB -0.366 62.898 63.200 0.107 0.000 0.921 322 S HN 0.381 nan 8.310 nan 0.000 0.516 323 F N 1.586 121.463 119.950 -0.121 0.000 2.803 323 F HA -0.019 4.508 4.527 0.000 0.000 0.323 323 F C 1.547 177.335 175.800 -0.020 0.000 1.033 323 F CA 0.398 58.342 58.000 -0.093 0.000 1.066 323 F CB -2.115 36.830 39.000 -0.091 0.000 1.283 323 F HN 0.539 nan 8.300 nan 0.000 0.816 324 G N -0.241 108.623 108.800 0.107 0.000 2.674 324 G HA2 -0.443 3.517 3.960 0.001 0.000 0.236 324 G HA3 -0.443 3.517 3.960 0.001 0.000 0.236 324 G C 1.281 176.254 174.900 0.122 0.000 1.178 324 G CA 0.507 45.672 45.100 0.109 0.000 0.721 324 G HN 0.621 nan 8.290 nan 0.000 0.515 325 I N 1.286 121.941 120.570 0.142 0.000 2.103 325 I HA -0.209 3.961 4.170 0.001 0.000 0.241 325 I C 1.651 177.892 176.117 0.206 0.000 1.036 325 I CA 1.722 63.104 61.300 0.138 0.000 1.300 325 I CB -0.293 37.794 38.000 0.144 0.000 1.010 325 I HN 0.273 nan 8.210 nan 0.000 0.406 326 I N 1.899 122.616 120.570 0.244 0.000 2.243 326 I HA 0.003 4.173 4.170 0.001 0.000 0.297 326 I C 0.092 176.355 176.117 0.244 0.000 1.161 326 I CA -0.505 60.993 61.300 0.331 0.000 1.298 326 I CB -0.627 37.520 38.000 0.245 0.000 1.475 326 I HN 0.305 nan 8.210 nan 0.000 0.561 327 D N 4.260 124.807 120.400 0.244 0.000 2.507 327 D HA 0.351 4.992 4.640 0.001 0.000 0.280 327 D C 1.369 177.771 176.300 0.171 0.000 1.219 327 D CA -0.386 53.710 54.000 0.159 0.000 1.085 327 D CB 0.679 41.553 40.800 0.123 0.000 1.134 327 D HN 0.233 nan 8.370 nan 0.000 0.583 328 A N -0.714 122.168 122.820 0.104 0.000 1.902 328 A HA -0.210 4.110 4.320 0.001 0.000 0.217 328 A C 2.010 179.694 177.584 0.168 0.000 1.181 328 A CA 2.205 54.302 52.037 0.101 0.000 0.623 328 A CB -1.018 18.007 19.000 0.042 0.000 0.818 328 A HN 0.639 nan 8.150 nan 0.000 0.443 329 K N -1.519 118.970 120.400 0.148 0.000 1.991 329 K HA -0.193 4.127 4.320 0.001 0.000 0.212 329 K C 1.800 178.523 176.600 0.205 0.000 1.049 329 K CA 1.923 58.297 56.287 0.145 0.000 0.932 329 K CB -0.422 32.150 32.500 0.119 0.000 0.717 329 K HN 0.345 nan 8.250 nan 0.000 0.441 330 F N 0.974 120.964 119.950 0.067 0.000 2.451 330 F HA -0.065 4.462 4.527 0.000 0.000 0.299 330 F C 1.607 177.432 175.800 0.041 0.000 1.101 330 F CA 0.480 58.505 58.000 0.042 0.000 1.436 330 F CB -0.355 38.667 39.000 0.037 0.000 1.074 330 F HN 0.120 nan 8.300 nan 0.000 0.553 331 F N 0.409 120.266 119.950 -0.156 0.000 2.128 331 F HA 0.102 4.629 4.527 0.000 0.000 0.295 331 F C 2.477 178.108 175.800 -0.280 0.000 1.100 331 F CA 1.748 59.558 58.000 -0.316 0.000 1.260 331 F CB -0.998 37.873 39.000 -0.214 0.000 1.009 331 F HN -0.076 nan 8.300 nan 0.000 0.476 332 G N -0.101 108.773 108.800 0.122 0.000 2.450 332 G HA2 -0.208 3.752 3.960 0.001 0.000 0.220 332 G HA3 -0.208 3.752 3.960 0.001 0.000 0.220 332 G C 1.711 176.574 174.900 -0.061 0.000 1.130 332 G CA 1.191 46.361 45.100 0.116 0.000 0.760 332 G HN 0.347 nan 8.290 nan 0.000 0.557 333 V N 0.799 120.663 119.914 -0.083 0.000 2.270 333 V HA -0.104 4.016 4.120 0.001 0.000 0.245 333 V C 2.912 178.938 176.094 -0.114 0.000 1.043 333 V CA 1.520 63.781 62.300 -0.065 0.000 1.014 333 V CB -0.440 31.443 31.823 0.100 0.000 0.645 333 V HN 0.353 nan 8.190 nan 0.000 0.447 334 L N 0.079 121.086 121.223 -0.360 0.000 2.079 334 L HA -0.177 4.163 4.340 0.001 0.000 0.210 334 L C 2.708 179.372 176.870 -0.344 0.000 1.081 334 L CA 1.518 56.108 54.840 -0.416 0.000 0.752 334 L CB -0.825 40.763 42.059 -0.786 0.000 0.896 334 L HN 0.368 nan 8.230 nan 0.000 0.433 335 A N -0.192 122.340 122.820 -0.481 0.000 1.883 335 A HA -0.287 4.033 4.320 0.001 0.000 0.217 335 A C 2.345 179.981 177.584 0.087 0.000 1.186 335 A CA 2.164 54.008 52.037 -0.322 0.000 0.624 335 A CB -0.531 18.269 19.000 -0.332 0.000 0.822 335 A HN 0.427 nan 8.150 nan 0.000 0.444 336 M N -1.803 117.786 119.600 -0.018 0.000 2.064 336 M HA -0.088 4.393 4.480 0.001 0.000 0.260 336 M C 1.937 178.186 176.300 -0.086 0.000 1.073 336 M CA 2.004 57.272 55.300 -0.054 0.000 1.124 336 M CB -0.272 32.176 32.600 -0.254 0.000 1.326 336 M HN 0.321 nan 8.290 nan 0.000 0.410 337 F N 0.540 120.462 119.950 -0.047 0.000 2.202 337 F HA -0.079 4.449 4.527 0.001 0.000 0.301 337 F C 2.502 178.300 175.800 -0.005 0.000 1.082 337 F CA 1.612 59.570 58.000 -0.070 0.000 1.313 337 F CB -1.423 37.513 39.000 -0.107 0.000 1.024 337 F HN 0.311 nan 8.300 nan 0.000 0.495 338 G N -0.714 108.204 108.800 0.196 0.000 2.408 338 G HA2 -0.150 3.810 3.960 0.001 0.000 0.217 338 G HA3 -0.150 3.810 3.960 0.001 0.000 0.217 338 G C 1.919 176.991 174.900 0.288 0.000 1.150 338 G CA 0.700 45.938 45.100 0.231 0.000 0.776 338 G HN 0.448 nan 8.290 nan 0.000 0.542 339 A N 0.468 123.454 122.820 0.276 0.000 2.024 339 A HA 0.023 4.343 4.320 0.001 0.000 0.220 339 A C 2.340 180.041 177.584 0.195 0.000 1.164 339 A CA 1.315 53.360 52.037 0.013 0.000 0.643 339 A CB -0.272 18.645 19.000 -0.138 0.000 0.806 339 A HN 0.427 nan 8.150 nan 0.000 0.451 340 I N -1.362 119.316 120.570 0.180 0.000 2.429 340 I HA -0.091 4.080 4.170 0.001 0.000 0.247 340 I C 2.295 178.457 176.117 0.075 0.000 1.099 340 I CA 0.768 62.151 61.300 0.138 0.000 1.422 340 I CB -0.246 37.766 38.000 0.019 0.000 1.112 340 I HN 0.389 nan 8.210 nan 0.000 0.430 341 L N 0.536 121.812 121.223 0.088 0.000 2.127 341 L HA -0.149 4.192 4.340 0.001 0.000 0.211 341 L C 2.285 179.178 176.870 0.038 0.000 1.089 341 L CA 1.680 56.561 54.840 0.069 0.000 0.757 341 L CB -0.503 41.603 42.059 0.078 0.000 0.899 341 L HN -0.007 nan 8.230 nan 0.000 0.434 342 V N -0.337 119.576 119.914 -0.001 0.000 2.427 342 V HA -0.299 3.821 4.120 0.001 0.000 0.248 342 V C 2.541 178.419 176.094 -0.361 0.000 1.051 342 V CA 2.150 64.388 62.300 -0.104 0.000 1.048 342 V CB -0.165 31.584 31.823 -0.124 0.000 0.666 342 V HN 0.668 nan 8.190 nan 0.000 0.456 343 M N -0.651 118.665 119.600 -0.474 0.000 2.419 343 M HA -0.006 4.474 4.480 0.001 0.000 0.264 343 M C 1.895 178.226 176.300 0.052 0.000 1.082 343 M CA 1.620 56.591 55.300 -0.548 0.000 1.119 343 M CB -0.133 32.259 32.600 -0.348 0.000 1.398 343 M HN 0.321 nan 8.290 nan 0.000 0.453 344 A N 0.115 123.005 122.820 0.116 0.000 2.066 344 A HA 0.026 4.346 4.320 0.001 0.000 0.218 344 A C 1.697 179.579 177.584 0.497 0.000 1.157 344 A CA 0.881 53.096 52.037 0.297 0.000 0.670 344 A CB -0.565 18.524 19.000 0.149 0.000 0.804 344 A HN 0.574 nan 8.150 nan 0.000 0.453 345 L N -0.412 121.017 121.223 0.345 0.000 2.607 345 L HA 0.046 4.386 4.340 0.001 0.000 0.228 345 L C 1.750 178.890 176.870 0.451 0.000 1.123 345 L CA -0.203 54.935 54.840 0.497 0.000 0.890 345 L CB 0.140 42.370 42.059 0.285 0.000 1.103 345 L HN 0.133 nan 8.230 nan 0.000 0.468 346 V N 0.565 120.603 119.914 0.208 0.000 2.439 346 V HA -0.211 3.909 4.120 0.001 0.000 0.253 346 V C -0.232 175.872 176.094 0.016 0.000 1.074 346 V CA 1.918 64.243 62.300 0.041 0.000 1.076 346 V CB -1.429 30.178 31.823 -0.359 0.000 0.664 346 V HN 0.388 nan 8.190 nan 0.000 0.461 347 P HA -0.141 nan 4.420 nan 0.000 0.221 347 P C 0.971 177.924 177.300 -0.577 0.000 1.145 347 P CA 1.382 64.176 63.100 -0.510 0.000 0.795 347 P CB -0.050 30.938 31.700 -1.188 0.000 0.775 348 W N -1.879 119.470 121.300 0.081 0.000 2.966 348 W HA 0.383 5.043 4.660 0.001 0.000 0.406 348 W C 0.736 177.296 176.519 0.068 0.000 1.027 348 W CA -0.030 57.354 57.345 0.065 0.000 1.930 348 W CB 0.250 29.747 29.460 0.061 0.000 1.144 348 W HN 0.006 nan 8.180 nan 0.000 0.626 349 L N -0.968 120.400 121.223 0.242 0.000 2.854 349 L HA 0.148 4.488 4.340 0.001 0.000 0.249 349 L C 0.243 177.188 176.870 0.124 0.000 1.091 349 L CA 0.272 55.225 54.840 0.188 0.000 0.935 349 L CB 0.091 42.279 42.059 0.215 0.000 1.367 349 L HN -0.334 nan 8.230 nan 0.000 0.524 350 D N 1.220 121.694 120.400 0.123 0.000 2.393 350 D HA 0.062 4.702 4.640 0.001 0.000 0.232 350 D C 1.171 177.486 176.300 0.025 0.000 1.192 350 D CA 0.087 54.142 54.000 0.092 0.000 0.882 350 D CB 1.219 42.127 40.800 0.181 0.000 1.038 350 D HN 0.121 nan 8.370 nan 0.000 0.499 351 T N 0.037 114.602 114.554 0.018 0.000 3.081 351 T HA 0.037 4.388 4.350 0.001 0.000 0.255 351 T C 1.122 175.806 174.700 -0.028 0.000 1.113 351 T CA -0.373 61.727 62.100 0.000 0.000 1.082 351 T CB -0.019 68.860 68.868 0.018 0.000 0.939 351 T HN 0.228 nan 8.240 nan 0.000 0.506 352 S N 3.413 119.088 115.700 -0.041 0.000 2.537 352 S HA 0.186 4.656 4.470 0.001 0.000 0.286 352 S C -1.044 173.498 174.600 -0.097 0.000 1.299 352 S CA -1.279 56.882 58.200 -0.064 0.000 1.067 352 S CB 0.899 64.048 63.200 -0.085 0.000 0.864 352 S HN 0.239 nan 8.310 nan 0.000 0.494 353 P HA 0.073 nan 4.420 nan 0.000 0.245 353 P C -0.137 177.104 177.300 -0.098 0.000 1.206 353 P CA 0.157 63.205 63.100 -0.087 0.000 0.781 353 P CB 0.012 31.678 31.700 -0.057 0.000 0.994 354 V N 1.936 121.788 119.914 -0.103 0.000 2.508 354 V HA 0.120 4.240 4.120 0.001 0.000 0.281 354 V C 2.150 178.148 176.094 -0.160 0.000 1.041 354 V CA -0.018 62.225 62.300 -0.094 0.000 1.016 354 V CB 0.709 32.487 31.823 -0.075 0.000 0.984 354 V HN -0.004 nan 8.190 nan 0.000 0.478 355 R N 3.759 124.185 120.500 -0.122 0.000 2.082 355 R HA -0.019 4.321 4.340 0.001 0.000 0.218 355 R C 1.442 177.621 176.300 -0.201 0.000 1.171 355 R CA 1.351 57.349 56.100 -0.170 0.000 0.914 355 R CB -0.317 29.928 30.300 -0.091 0.000 0.806 355 R HN 0.704 nan 8.270 nan 0.000 0.453 356 S N -0.695 114.957 115.700 -0.082 0.000 2.549 356 S HA 0.112 4.583 4.470 0.001 0.000 0.286 356 S C 0.965 175.324 174.600 -0.402 0.000 1.314 356 S CA -0.060 58.058 58.200 -0.136 0.000 1.062 356 S CB 1.216 64.401 63.200 -0.025 0.000 0.865 356 S HN 0.538 nan 8.310 nan 0.000 0.498 357 G N 3.806 112.184 108.800 -0.702 0.000 3.026 357 G HA2 -0.034 3.926 3.960 0.001 0.000 0.208 357 G HA3 -0.034 3.926 3.960 0.001 0.000 0.208 357 G C 1.216 175.707 174.900 -0.681 0.000 1.169 357 G CA -0.177 44.340 45.100 -0.972 0.000 0.788 357 G HN 0.786 nan 8.290 nan 0.000 0.533 358 R N -0.420 119.745 120.500 -0.558 0.000 2.235 358 R HA -0.002 4.338 4.340 0.001 0.000 0.213 358 R C 0.235 176.275 176.300 -0.432 0.000 1.059 358 R CA 0.658 56.506 56.100 -0.420 0.000 0.997 358 R CB -0.013 29.962 30.300 -0.542 0.000 0.884 358 R HN 0.408 nan 8.270 nan 0.000 0.462 359 Y N -0.251 120.017 120.300 -0.052 0.000 2.734 359 Y HA 0.412 4.962 4.550 0.001 0.000 0.278 359 Y C -0.472 175.387 175.900 -0.069 0.000 1.108 359 Y CA -0.687 57.390 58.100 -0.038 0.000 1.211 359 Y CB 0.551 38.991 38.460 -0.033 0.000 1.182 359 Y HN -0.216 nan 8.280 nan 0.000 0.547 360 R N 1.492 121.995 120.500 0.005 0.000 2.629 360 R HA 0.218 4.558 4.340 0.001 0.000 0.275 360 R C -2.318 174.027 176.300 0.075 0.000 1.719 360 R CA -1.267 54.837 56.100 0.007 0.000 1.472 360 R CB 1.190 31.419 30.300 -0.117 0.000 1.237 360 R HN -0.014 nan 8.270 nan 0.000 0.589 361 P HA -0.201 nan 4.420 nan 0.000 0.218 361 P C 1.088 178.412 177.300 0.039 0.000 1.146 361 P CA 1.291 64.429 63.100 0.063 0.000 0.813 361 P CB 0.436 32.167 31.700 0.051 0.000 0.778 362 M N -2.112 117.514 119.600 0.044 0.000 2.216 362 M HA -0.016 4.465 4.480 0.001 0.000 0.264 362 M C 2.150 178.433 176.300 -0.028 0.000 1.080 362 M CA 1.213 56.502 55.300 -0.018 0.000 1.153 362 M CB -0.460 32.169 32.600 0.049 0.000 1.356 362 M HN -0.222 nan 8.290 nan 0.000 0.432 363 F N 1.483 121.403 119.950 -0.050 0.000 2.065 363 F HA -0.284 4.243 4.527 0.001 0.000 0.298 363 F C 1.986 177.782 175.800 -0.008 0.000 1.112 363 F CA 1.896 59.884 58.000 -0.021 0.000 1.212 363 F CB -0.333 38.613 39.000 -0.090 0.000 0.975 363 F HN -0.039 nan 8.300 nan 0.000 0.476 364 K N -0.055 120.443 120.400 0.163 0.000 2.242 364 K HA -0.234 4.086 4.320 0.001 0.000 0.206 364 K C 1.904 178.632 176.600 0.214 0.000 1.045 364 K CA 1.574 57.957 56.287 0.159 0.000 0.930 364 K CB -0.342 32.296 32.500 0.229 0.000 0.726 364 K HN 0.344 nan 8.250 nan 0.000 0.462 365 I N -0.465 120.100 120.570 -0.008 0.000 2.400 365 I HA -0.154 4.016 4.170 0.001 0.000 0.248 365 I C 1.919 178.021 176.117 -0.024 0.000 1.109 365 I CA 1.251 62.527 61.300 -0.041 0.000 1.425 365 I CB -0.932 36.913 38.000 -0.258 0.000 1.094 365 I HN 0.068 nan 8.210 nan 0.000 0.425 366 Y N -0.024 120.280 120.300 0.005 0.000 2.352 366 Y HA -0.218 4.332 4.550 0.001 0.000 0.292 366 Y C 2.451 178.415 175.900 0.106 0.000 1.136 366 Y CA 0.691 58.814 58.100 0.038 0.000 1.227 366 Y CB -1.134 37.221 38.460 -0.175 0.000 0.991 366 Y HN 0.080 nan 8.280 nan 0.000 0.545 367 F N -0.936 118.922 119.950 -0.153 0.000 2.060 367 F HA -0.208 4.319 4.527 0.000 0.000 0.295 367 F C 1.643 177.311 175.800 -0.220 0.000 1.120 367 F CA 1.454 59.289 58.000 -0.276 0.000 1.205 367 F CB -0.795 37.765 39.000 -0.734 0.000 0.986 367 F HN -0.016 nan 8.300 nan 0.000 0.470 368 W N 0.711 122.200 121.300 0.316 0.000 2.424 368 W HA -0.104 4.556 4.660 0.001 0.000 0.264 368 W C 2.081 178.603 176.519 0.006 0.000 1.229 368 W CA 0.719 58.154 57.345 0.150 0.000 1.208 368 W CB -0.503 29.063 29.460 0.177 0.000 1.127 368 W HN 0.120 nan 8.180 nan 0.000 0.588 369 L N -1.071 120.262 121.223 0.184 0.000 2.095 369 L HA -0.148 4.192 4.340 0.001 0.000 0.204 369 L C 2.376 179.333 176.870 0.145 0.000 1.080 369 L CA 0.454 55.342 54.840 0.080 0.000 0.759 369 L CB -0.903 41.114 42.059 -0.069 0.000 0.914 369 L HN -0.027 nan 8.230 nan 0.000 0.439 370 L N 0.323 121.681 121.223 0.225 0.000 2.012 370 L HA -0.211 4.129 4.340 0.001 0.000 0.210 370 L C 2.639 179.501 176.870 -0.014 0.000 1.073 370 L CA 2.156 57.045 54.840 0.082 0.000 0.748 370 L CB -0.749 40.997 42.059 -0.522 0.000 0.891 370 L HN 0.181 nan 8.230 nan 0.000 0.431 371 A N -0.510 122.099 122.820 -0.352 0.000 1.865 371 A HA -0.184 4.136 4.320 0.001 0.000 0.217 371 A C 2.457 179.981 177.584 -0.101 0.000 1.191 371 A CA 2.276 54.005 52.037 -0.512 0.000 0.623 371 A CB -1.386 17.224 19.000 -0.651 0.000 0.826 371 A HN 0.599 nan 8.150 nan 0.000 0.444 372 A N -0.485 122.344 122.820 0.016 0.000 1.978 372 A HA -0.212 4.109 4.320 0.001 0.000 0.220 372 A C 1.828 179.465 177.584 0.089 0.000 1.170 372 A CA 2.268 54.340 52.037 0.058 0.000 0.636 372 A CB -0.715 18.318 19.000 0.055 0.000 0.810 372 A HN 0.560 nan 8.150 nan 0.000 0.448 373 D N -1.451 119.042 120.400 0.155 0.000 2.117 373 D HA -0.153 4.488 4.640 0.001 0.000 0.197 373 D C 1.607 178.047 176.300 0.234 0.000 0.987 373 D CA 1.331 55.472 54.000 0.234 0.000 0.829 373 D CB -0.272 40.787 40.800 0.432 0.000 0.961 373 D HN 0.376 nan 8.370 nan 0.000 0.460 374 F N 0.316 120.357 119.950 0.151 0.000 2.134 374 F HA -0.171 4.357 4.527 0.001 0.000 0.299 374 F C 2.143 177.944 175.800 0.002 0.000 1.097 374 F CA 1.115 59.161 58.000 0.077 0.000 1.264 374 F CB -0.326 38.800 39.000 0.210 0.000 1.001 374 F HN -0.118 nan 8.300 nan 0.000 0.479 375 V N 0.637 120.627 119.914 0.126 0.000 2.343 375 V HA -0.309 3.812 4.120 0.001 0.000 0.247 375 V C 2.401 178.521 176.094 0.043 0.000 1.051 375 V CA 2.061 64.392 62.300 0.052 0.000 1.036 375 V CB -0.616 31.247 31.823 0.067 0.000 0.654 375 V HN 0.353 nan 8.190 nan 0.000 0.451 376 I N -0.617 119.990 120.570 0.063 0.000 2.142 376 I HA -0.272 3.899 4.170 0.001 0.000 0.240 376 I C 2.429 178.639 176.117 0.155 0.000 1.078 376 I CA 1.632 63.012 61.300 0.133 0.000 1.343 376 I CB -0.366 37.695 38.000 0.101 0.000 1.046 376 I HN 0.238 nan 8.210 nan 0.000 0.405 377 L N 0.175 121.400 121.223 0.003 0.000 2.021 377 L HA -0.305 4.035 4.340 0.001 0.000 0.215 377 L C 2.684 179.450 176.870 -0.173 0.000 1.074 377 L CA 1.970 56.735 54.840 -0.125 0.000 0.760 377 L CB -0.795 41.087 42.059 -0.295 0.000 0.889 377 L HN 0.324 nan 8.230 nan 0.000 0.433 378 T N -1.642 112.766 114.554 -0.244 0.000 2.684 378 T HA -0.290 4.060 4.350 0.001 0.000 0.267 378 T C 1.249 175.936 174.700 -0.023 0.000 1.036 378 T CA 1.806 63.795 62.100 -0.184 0.000 1.148 378 T CB -0.480 68.279 68.868 -0.182 0.000 0.863 378 T HN 0.572 nan 8.240 nan 0.000 0.436 379 W N 1.707 122.938 121.300 -0.115 0.000 2.392 379 W HA -0.122 4.538 4.660 0.000 0.000 0.279 379 W C 1.802 178.266 176.519 -0.092 0.000 1.225 379 W CA 0.482 57.778 57.345 -0.081 0.000 1.233 379 W CB -0.343 29.083 29.460 -0.057 0.000 1.122 379 W HN 0.001 nan 8.180 nan 0.000 0.561 380 V N 0.902 120.690 119.914 -0.210 0.000 2.488 380 V HA -0.096 4.024 4.120 0.001 0.000 0.246 380 V C 2.494 178.353 176.094 -0.391 0.000 1.046 380 V CA 1.831 63.861 62.300 -0.450 0.000 1.053 380 V CB -1.644 30.100 31.823 -0.130 0.000 0.679 380 V HN 0.362 nan 8.190 nan 0.000 0.458 381 G N 0.090 108.769 108.800 -0.201 0.000 2.499 381 G HA2 -0.176 3.785 3.960 0.001 0.000 0.221 381 G HA3 -0.176 3.785 3.960 0.001 0.000 0.221 381 G C 1.375 176.288 174.900 0.022 0.000 1.109 381 G CA 0.984 46.093 45.100 0.016 0.000 0.749 381 G HN 0.647 nan 8.290 nan 0.000 0.568 382 A N -1.062 121.622 122.820 -0.227 0.000 2.345 382 A HA 0.394 4.714 4.320 0.001 0.000 0.225 382 A C 1.202 178.542 177.584 -0.405 0.000 1.243 382 A CA 0.130 52.010 52.037 -0.263 0.000 0.875 382 A CB 0.128 18.967 19.000 -0.268 0.000 0.929 382 A HN 0.309 nan 8.150 nan 0.000 0.502 383 Q N -0.386 119.070 119.800 -0.573 0.000 2.286 383 Q HA 0.475 4.815 4.340 0.001 0.000 0.250 383 Q C -0.565 175.146 176.000 -0.483 0.000 1.021 383 Q CA -0.506 54.838 55.803 -0.765 0.000 0.930 383 Q CB 0.247 28.085 28.738 -1.501 0.000 1.266 383 Q HN 0.495 nan 8.270 nan 0.000 0.491 384 Q N -0.079 119.460 119.800 -0.436 0.000 2.414 384 Q HA 0.202 4.542 4.340 0.001 0.000 0.206 384 Q C 0.851 176.807 176.000 -0.073 0.000 1.058 384 Q CA 0.249 55.964 55.803 -0.146 0.000 1.025 384 Q CB 0.299 29.029 28.738 -0.014 0.000 1.196 384 Q HN 0.694 nan 8.270 nan 0.000 0.586 385 T N -3.203 111.338 114.554 -0.022 0.000 3.107 385 T HA 0.035 4.386 4.350 0.001 0.000 0.249 385 T C 0.688 175.419 174.700 0.052 0.000 1.096 385 T CA 0.163 62.248 62.100 -0.025 0.000 1.012 385 T CB -0.569 68.257 68.868 -0.069 0.000 0.977 385 T HN 0.726 nan 8.240 nan 0.000 0.527 386 T N 0.482 115.118 114.554 0.137 0.000 2.766 386 T HA 0.421 4.771 4.350 0.001 0.000 0.295 386 T C -0.111 174.711 174.700 0.205 0.000 1.024 386 T CA -0.898 61.306 62.100 0.174 0.000 1.018 386 T CB 0.252 69.232 68.868 0.186 0.000 1.002 386 T HN 0.173 nan 8.240 nan 0.000 0.532 387 F N 3.269 123.233 119.950 0.023 0.000 2.429 387 F HA 0.407 4.935 4.527 0.001 0.000 0.348 387 F C -1.254 174.420 175.800 -0.209 0.000 1.109 387 F CA -2.283 55.710 58.000 -0.012 0.000 1.232 387 F CB 0.869 39.903 39.000 0.057 0.000 1.157 387 F HN 0.431 nan 8.300 nan 0.000 0.564 388 P HA -0.025 nan 4.420 nan 0.000 0.255 388 P C 0.717 177.685 177.300 -0.553 0.000 1.248 388 P CA 0.658 63.027 63.100 -1.218 0.000 0.807 388 P CB -0.105 30.929 31.700 -1.109 0.000 1.150 389 Y N 2.626 122.839 120.300 -0.145 0.000 2.207 389 Y HA -0.211 4.339 4.550 0.001 0.000 0.287 389 Y C 2.378 178.188 175.900 -0.149 0.000 1.156 389 Y CA 1.584 59.613 58.100 -0.119 0.000 1.182 389 Y CB -1.536 36.832 38.460 -0.153 0.000 0.979 389 Y HN 0.117 nan 8.280 nan 0.000 0.521 390 D N -1.370 119.005 120.400 -0.042 0.000 2.221 390 D HA -0.251 4.390 4.640 0.001 0.000 0.204 390 D C 1.653 177.737 176.300 -0.361 0.000 0.982 390 D CA 1.261 55.136 54.000 -0.209 0.000 0.857 390 D CB -0.939 39.729 40.800 -0.219 0.000 0.934 390 D HN 0.457 nan 8.370 nan 0.000 0.475 391 W N 0.697 121.875 121.300 -0.203 0.000 2.488 391 W HA 0.264 4.924 4.660 0.000 0.000 0.304 391 W C 2.624 179.057 176.519 -0.144 0.000 1.175 391 W CA -0.054 57.172 57.345 -0.198 0.000 1.365 391 W CB -0.251 29.039 29.460 -0.284 0.000 1.131 391 W HN -0.177 nan 8.180 nan 0.000 0.520 392 I N 0.476 121.111 120.570 0.108 0.000 2.151 392 I HA -0.413 3.757 4.170 0.001 0.000 0.243 392 I C 2.678 178.834 176.117 0.065 0.000 1.080 392 I CA 1.943 63.308 61.300 0.108 0.000 1.339 392 I CB -1.039 37.069 38.000 0.180 0.000 1.039 392 I HN -0.017 nan 8.210 nan 0.000 0.409 393 S N 1.110 116.804 115.700 -0.009 0.000 2.383 393 S HA -0.189 4.282 4.470 0.001 0.000 0.229 393 S C 2.079 176.590 174.600 -0.147 0.000 1.030 393 S CA 1.077 59.219 58.200 -0.097 0.000 1.002 393 S CB -0.810 62.276 63.200 -0.190 0.000 0.829 393 S HN 0.436 nan 8.310 nan 0.000 0.467 394 L N 0.620 121.724 121.223 -0.197 0.000 2.005 394 L HA -0.009 4.331 4.340 0.001 0.000 0.207 394 L C 2.627 179.487 176.870 -0.016 0.000 1.072 394 L CA 1.659 56.359 54.840 -0.233 0.000 0.744 394 L CB -0.444 41.389 42.059 -0.375 0.000 0.895 394 L HN 0.370 nan 8.230 nan 0.000 0.433 395 I N -0.483 120.134 120.570 0.079 0.000 2.226 395 I HA -0.291 3.879 4.170 0.001 0.000 0.245 395 I C 2.766 179.004 176.117 0.202 0.000 1.100 395 I CA 1.145 62.543 61.300 0.163 0.000 1.374 395 I CB -0.571 37.525 38.000 0.161 0.000 1.057 395 I HN 0.228 nan 8.210 nan 0.000 0.413 396 A N 0.610 123.526 122.820 0.160 0.000 1.865 396 A HA -0.215 4.106 4.320 0.001 0.000 0.217 396 A C 2.520 180.269 177.584 0.276 0.000 1.191 396 A CA 2.376 54.537 52.037 0.207 0.000 0.623 396 A CB -0.925 18.148 19.000 0.121 0.000 0.826 396 A HN 0.406 nan 8.150 nan 0.000 0.444 397 S N 0.239 116.054 115.700 0.192 0.000 2.370 397 S HA -0.116 4.354 4.470 0.001 0.000 0.226 397 S C 2.277 177.208 174.600 0.551 0.000 1.033 397 S CA 1.349 59.742 58.200 0.321 0.000 1.011 397 S CB -0.627 62.706 63.200 0.222 0.000 0.852 397 S HN 0.837 nan 8.310 nan 0.000 0.457 398 A N 0.976 124.046 122.820 0.417 0.000 1.865 398 A HA -0.172 4.148 4.320 0.001 0.000 0.217 398 A C 1.997 179.846 177.584 0.442 0.000 1.191 398 A CA 1.844 54.134 52.037 0.422 0.000 0.623 398 A CB -1.172 18.009 19.000 0.303 0.000 0.826 398 A HN 0.550 nan 8.150 nan 0.000 0.444 399 Y N -0.991 119.485 120.300 0.294 0.000 2.256 399 Y HA -0.235 4.316 4.550 0.001 0.000 0.288 399 Y C 2.232 178.304 175.900 0.286 0.000 1.155 399 Y CA 1.358 59.605 58.100 0.245 0.000 1.203 399 Y CB -0.344 38.233 38.460 0.195 0.000 0.980 399 Y HN 0.577 nan 8.280 nan 0.000 0.530 400 W N 0.068 121.411 121.300 0.072 0.000 2.354 400 W HA -0.297 4.363 4.660 0.001 0.000 0.315 400 W C 1.570 178.061 176.519 -0.048 0.000 1.206 400 W CA 2.186 59.494 57.345 -0.061 0.000 1.290 400 W CB -1.000 28.413 29.460 -0.078 0.000 1.152 400 W HN 0.145 nan 8.180 nan 0.000 0.489 401 F N 1.040 121.195 119.950 0.341 0.000 2.234 401 F HA -0.081 4.446 4.527 0.001 0.000 0.299 401 F C 2.720 178.572 175.800 0.086 0.000 1.087 401 F CA 1.718 59.864 58.000 0.243 0.000 1.340 401 F CB -1.400 37.738 39.000 0.231 0.000 1.031 401 F HN -0.117 nan 8.300 nan 0.000 0.500 402 A N -0.071 122.852 122.820 0.172 0.000 1.873 402 A HA -0.310 4.010 4.320 0.001 0.000 0.218 402 A C 2.103 179.568 177.584 -0.199 0.000 1.193 402 A CA 1.996 54.029 52.037 -0.007 0.000 0.629 402 A CB -1.573 17.417 19.000 -0.016 0.000 0.826 402 A HN 0.464 nan 8.150 nan 0.000 0.447 403 Y N -0.422 119.498 120.300 -0.635 0.000 2.128 403 Y HA -0.234 4.317 4.550 0.001 0.000 0.284 403 Y C 1.934 177.448 175.900 -0.644 0.000 1.154 403 Y CA 1.908 59.524 58.100 -0.807 0.000 1.149 403 Y CB -0.678 37.062 38.460 -1.200 0.000 0.976 403 Y HN 0.275 nan 8.280 nan 0.000 0.505 404 F N -0.848 119.106 119.950 0.007 0.000 2.219 404 F HA -0.039 4.488 4.527 0.000 0.000 0.294 404 F C 2.200 178.000 175.800 -0.001 0.000 1.086 404 F CA 0.985 58.991 58.000 0.010 0.000 1.330 404 F CB -0.530 38.398 39.000 -0.120 0.000 1.047 404 F HN -0.041 nan 8.300 nan 0.000 0.495 405 L N -1.210 120.134 121.223 0.200 0.000 2.270 405 L HA -0.036 4.305 4.340 0.001 0.000 0.210 405 L C 1.575 178.487 176.870 0.069 0.000 1.104 405 L CA 0.371 55.304 54.840 0.154 0.000 0.804 405 L CB -0.165 42.016 42.059 0.204 0.000 0.937 405 L HN 0.014 nan 8.230 nan 0.000 0.450 406 V N -1.238 118.677 119.914 0.002 0.000 3.264 406 V HA 0.026 4.146 4.120 0.001 0.000 0.217 406 V C 2.003 178.024 176.094 -0.122 0.000 1.236 406 V CA 0.047 62.324 62.300 -0.038 0.000 1.287 406 V CB 0.119 31.925 31.823 -0.029 0.000 1.241 406 V HN 0.056 nan 8.190 nan 0.000 0.518 407 I N 0.737 121.159 120.570 -0.247 0.000 2.181 407 I HA -0.314 3.856 4.170 0.001 0.000 0.247 407 I C 2.426 178.353 176.117 -0.317 0.000 1.081 407 I CA 1.654 62.714 61.300 -0.400 0.000 1.340 407 I CB -0.321 37.242 38.000 -0.728 0.000 1.036 407 I HN 0.291 nan 8.210 nan 0.000 0.417 408 L N 0.090 121.138 121.223 -0.291 0.000 2.072 408 L HA -0.057 4.283 4.340 0.001 0.000 0.205 408 L C -0.020 176.825 176.870 -0.041 0.000 1.079 408 L CA 2.058 56.805 54.840 -0.155 0.000 0.752 408 L CB -2.312 39.684 42.059 -0.105 0.000 0.906 408 L HN 0.150 nan 8.230 nan 0.000 0.436 409 P HA -0.097 nan 4.420 nan 0.000 0.217 409 P C 2.031 179.332 177.300 0.003 0.000 1.151 409 P CA 1.234 64.342 63.100 0.014 0.000 0.828 409 P CB 0.244 31.962 31.700 0.030 0.000 0.788 410 I N -1.240 119.319 120.570 -0.018 0.000 2.193 410 I HA -0.187 3.983 4.170 0.001 0.000 0.240 410 I C 2.228 178.349 176.117 0.006 0.000 1.084 410 I CA 1.142 62.437 61.300 -0.009 0.000 1.365 410 I CB -0.658 37.328 38.000 -0.023 0.000 1.064 410 I HN -0.141 nan 8.210 nan 0.000 0.410 411 L N 0.556 121.783 121.223 0.007 0.000 2.129 411 L HA -0.220 4.121 4.340 0.001 0.000 0.212 411 L C 2.644 179.535 176.870 0.034 0.000 1.087 411 L CA 1.676 56.545 54.840 0.050 0.000 0.757 411 L CB -1.536 40.579 42.059 0.092 0.000 0.896 411 L HN 0.389 nan 8.230 nan 0.000 0.434 412 G N -0.339 108.472 108.800 0.018 0.000 2.469 412 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 412 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 412 G C 1.682 176.586 174.900 0.008 0.000 1.136 412 G CA 1.051 46.155 45.100 0.007 0.000 0.759 412 G HN 0.525 nan 8.290 nan 0.000 0.562 413 A N -0.179 122.649 122.820 0.014 0.000 1.924 413 A HA 0.418 4.738 4.320 0.001 0.000 0.211 413 A C 2.201 179.796 177.584 0.018 0.000 1.198 413 A CA 0.429 52.474 52.037 0.014 0.000 0.657 413 A CB -0.016 18.994 19.000 0.015 0.000 0.852 413 A HN 0.307 nan 8.150 nan 0.000 0.454 414 I N 0.390 120.975 120.570 0.025 0.000 2.623 414 I HA -0.087 4.083 4.170 0.001 0.000 0.214 414 I C 0.948 177.084 176.117 0.032 0.000 1.055 414 I CA 0.589 61.907 61.300 0.031 0.000 1.386 414 I CB -0.899 37.127 38.000 0.043 0.000 1.217 414 I HN 0.582 nan 8.210 nan 0.000 0.405 415 E N 2.318 122.545 120.200 0.046 0.000 3.571 415 E HA -0.282 4.068 4.350 0.001 0.000 0.340 415 E C -0.362 176.255 176.600 0.029 0.000 0.766 415 E CA 0.497 56.924 56.400 0.045 0.000 1.116 415 E CB -0.113 29.623 29.700 0.061 0.000 0.948 415 E HN 0.240 nan 8.360 nan 0.000 0.498 416 K N 4.746 125.162 120.400 0.027 0.000 2.299 416 K HA 0.317 4.637 4.320 0.001 0.000 0.268 416 K C -2.423 174.189 176.600 0.020 0.000 1.075 416 K CA -2.275 54.023 56.287 0.018 0.000 0.936 416 K CB 0.914 33.424 32.500 0.017 0.000 1.228 416 K HN 0.381 nan 8.250 nan 0.000 0.454 417 P HA -0.054 nan 4.420 nan 0.000 0.272 417 P C -0.712 176.602 177.300 0.024 0.000 1.243 417 P CA -0.552 62.559 63.100 0.018 0.000 0.803 417 P CB 0.502 32.203 31.700 0.001 0.000 0.974 418 V N -0.902 119.037 119.914 0.042 0.000 3.234 418 V HA 0.619 4.739 4.120 0.001 0.000 0.317 418 V C -0.031 176.019 176.094 -0.074 0.000 1.147 418 V CA -0.961 61.352 62.300 0.021 0.000 1.037 418 V CB 1.591 33.475 31.823 0.102 0.000 1.148 418 V HN 0.620 nan 8.190 nan 0.000 0.455 419 A N 3.193 125.934 122.820 -0.133 0.000 2.310 419 A HA 0.621 4.941 4.320 0.001 0.000 0.300 419 A C -2.214 175.099 177.584 -0.451 0.000 1.269 419 A CA -1.116 50.797 52.037 -0.207 0.000 0.909 419 A CB -0.353 18.567 19.000 -0.134 0.000 1.144 419 A HN 0.554 nan 8.150 nan 0.000 0.540 420 P HA 0.371 nan 4.420 nan 0.000 0.286 420 P C -2.704 174.372 177.300 -0.374 0.000 1.269 420 P CA -1.404 61.226 63.100 -0.783 0.000 0.787 420 P CB 0.474 31.927 31.700 -0.411 0.000 0.920 421 P HA -0.102 nan 4.420 nan 0.000 0.269 421 P C 0.864 178.118 177.300 -0.077 0.000 1.185 421 P CA 0.421 63.452 63.100 -0.116 0.000 0.769 421 P CB 0.285 31.969 31.700 -0.027 0.000 0.809 422 A N 1.429 124.219 122.820 -0.050 0.000 2.072 422 A HA 0.130 4.450 4.320 0.001 0.000 0.216 422 A C 0.872 178.447 177.584 -0.015 0.000 1.156 422 A CA 1.657 53.673 52.037 -0.035 0.000 0.701 422 A CB -0.513 18.469 19.000 -0.031 0.000 0.816 422 A HN 0.634 nan 8.150 nan 0.000 0.458 423 T N -4.082 110.469 114.554 -0.004 0.000 2.916 423 T HA 0.560 4.910 4.350 0.001 0.000 0.305 423 T C 0.791 175.506 174.700 0.025 0.000 1.119 423 T CA -0.455 61.651 62.100 0.009 0.000 1.008 423 T CB 0.914 69.788 68.868 0.011 0.000 1.129 423 T HN 0.089 nan 8.240 nan 0.000 0.480 424 I N 0.669 121.253 120.570 0.024 0.000 2.286 424 I HA -0.108 4.063 4.170 0.001 0.000 0.248 424 I C 2.610 178.771 176.117 0.072 0.000 1.115 424 I CA 1.678 62.996 61.300 0.030 0.000 1.392 424 I CB -0.531 37.465 38.000 -0.008 0.000 1.065 424 I HN 0.908 nan 8.210 nan 0.000 0.418 425 E N 2.366 122.608 120.200 0.069 0.000 2.049 425 E HA -0.305 4.046 4.350 0.001 0.000 0.198 425 E C 2.069 178.725 176.600 0.094 0.000 1.007 425 E CA 2.215 58.679 56.400 0.107 0.000 0.809 425 E CB -0.168 29.571 29.700 0.064 0.000 0.749 425 E HN 0.696 nan 8.360 nan 0.000 0.450 426 E N 0.156 120.386 120.200 0.049 0.000 2.160 426 E HA -0.263 4.087 4.350 0.001 0.000 0.195 426 E C 1.771 178.394 176.600 0.039 0.000 0.991 426 E CA 1.617 58.032 56.400 0.026 0.000 0.810 426 E CB -0.295 29.411 29.700 0.009 0.000 0.742 426 E HN 0.345 nan 8.360 nan 0.000 0.466 427 D N -0.155 120.290 120.400 0.074 0.000 2.123 427 D HA -0.167 4.474 4.640 0.001 0.000 0.200 427 D C 1.577 177.960 176.300 0.138 0.000 0.976 427 D CA 0.915 54.974 54.000 0.099 0.000 0.831 427 D CB -0.167 40.702 40.800 0.114 0.000 0.974 427 D HN 0.228 nan 8.370 nan 0.000 0.469 428 F N 1.528 121.468 119.950 -0.016 0.000 2.075 428 F HA -0.121 4.407 4.527 0.001 0.000 0.297 428 F C 1.905 177.691 175.800 -0.024 0.000 1.113 428 F CA 1.375 59.357 58.000 -0.029 0.000 1.218 428 F CB -0.805 38.166 39.000 -0.047 0.000 0.984 428 F HN -0.025 nan 8.300 nan 0.000 0.472 429 N N 1.083 119.632 118.700 -0.252 0.000 2.149 429 N HA -0.115 4.625 4.740 0.001 0.000 0.188 429 N C 1.166 176.546 175.510 -0.216 0.000 1.019 429 N CA 0.973 53.812 53.050 -0.352 0.000 0.857 429 N CB -0.835 37.543 38.487 -0.181 0.000 0.997 429 N HN 0.346 nan 8.380 nan 0.000 0.426 430 A N 0.000 122.761 122.820 -0.098 0.000 2.254 430 A HA 0.000 4.320 4.320 0.001 0.000 0.244 430 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 430 A CB 0.000 19.004 19.000 0.006 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486