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_P 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 -0.000 0.000 0.244 3 G C 0.000 174.915 174.900 0.025 0.000 0.946 3 G CA 0.000 45.124 45.100 0.041 0.000 0.502 4 I N 1.559 122.121 120.570 -0.013 0.000 2.662 4 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 4 I C -2.035 174.078 176.117 -0.006 0.000 1.046 4 I CA -1.997 59.290 61.300 -0.022 0.000 1.361 4 I CB 1.427 39.394 38.000 -0.054 0.000 1.429 4 I HN -0.126 nan 8.210 nan 0.000 0.558 5 P HA 0.287 nan 4.420 nan 0.000 0.287 5 P C -1.378 176.009 177.300 0.145 0.000 1.281 5 P CA -0.001 63.148 63.100 0.082 0.000 0.781 5 P CB 0.438 32.178 31.700 0.065 0.000 0.903 6 H N -0.612 118.455 119.070 -0.006 0.000 2.932 6 H HA 0.395 4.950 4.556 -0.000 0.000 0.307 6 H C -1.541 173.696 175.328 -0.151 0.000 1.391 6 H CA -1.232 54.804 56.048 -0.021 0.000 1.130 6 H CB 1.176 30.962 29.762 0.040 0.000 1.836 6 H HN 0.261 nan 8.280 nan 0.000 0.522 7 D N 1.147 121.389 120.400 -0.263 0.000 2.255 7 D HA 0.146 4.786 4.640 -0.000 0.000 0.249 7 D C -0.323 175.748 176.300 -0.382 0.000 1.078 7 D CA -0.390 53.412 54.000 -0.330 0.000 0.896 7 D CB 1.365 42.115 40.800 -0.082 0.000 1.194 7 D HN 0.462 nan 8.370 nan 0.000 0.429 8 H N 0.379 119.466 119.070 0.028 0.000 2.482 8 H HA 0.083 4.639 4.556 -0.000 0.000 0.344 8 H C -0.076 175.362 175.328 0.183 0.000 1.151 8 H CA -0.528 55.608 56.048 0.147 0.000 1.300 8 H CB 0.430 30.281 29.762 0.147 0.000 1.494 8 H HN 0.441 nan 8.280 nan 0.000 0.542 9 Y N 1.451 121.873 120.300 0.203 0.000 2.960 9 Y HA -0.065 4.485 4.550 -0.000 0.000 0.345 9 Y C -0.063 175.743 175.900 -0.156 0.000 1.277 9 Y CA 0.790 58.717 58.100 -0.288 0.000 1.508 9 Y CB 0.417 38.783 38.460 -0.156 0.000 1.317 9 Y HN 0.484 nan 8.280 nan 0.000 0.639 10 E N 5.804 125.451 120.200 -0.921 0.000 2.313 10 E HA 0.270 4.620 4.350 -0.000 0.000 0.280 10 E C -2.745 173.275 176.600 -0.967 0.000 0.898 10 E CA -2.161 53.765 56.400 -0.790 0.000 0.803 10 E CB 1.621 31.096 29.700 -0.374 0.000 1.286 10 E HN 0.413 nan 8.360 nan 0.000 0.401 11 P HA 0.048 nan 4.420 nan 0.000 0.261 11 P C 0.504 177.648 177.300 -0.258 0.000 1.183 11 P CA 0.105 62.920 63.100 -0.475 0.000 0.761 11 P CB 0.915 32.429 31.700 -0.309 0.000 0.785 12 R N 1.480 121.892 120.500 -0.146 0.000 1.970 12 R HA 0.181 4.521 4.340 -0.000 0.000 0.200 12 R C 0.875 177.159 176.300 -0.026 0.000 1.457 12 R CA 0.783 56.838 56.100 -0.074 0.000 1.139 12 R CB -1.193 29.083 30.300 -0.040 0.000 0.977 12 R HN 0.343 nan 8.270 nan 0.000 0.477 13 T N 0.064 114.623 114.554 0.009 0.000 2.619 13 T HA 0.109 4.459 4.350 -0.000 0.000 0.330 13 T C 1.520 176.241 174.700 0.036 0.000 1.037 13 T CA 0.490 62.604 62.100 0.024 0.000 1.005 13 T CB 0.237 69.128 68.868 0.038 0.000 1.084 13 T HN 0.460 nan 8.240 nan 0.000 0.521 14 G N -0.587 108.237 108.800 0.041 0.000 2.411 14 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.213 14 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.213 14 G C 1.519 176.491 174.900 0.119 0.000 1.166 14 G CA 0.045 45.183 45.100 0.064 0.000 0.802 14 G HN 0.682 nan 8.290 nan 0.000 0.533 15 I N 0.844 121.466 120.570 0.087 0.000 2.315 15 I HA -0.210 3.960 4.170 -0.000 0.000 0.251 15 I C 2.666 178.916 176.117 0.222 0.000 1.125 15 I CA 1.290 62.662 61.300 0.121 0.000 1.392 15 I CB -0.213 37.819 38.000 0.054 0.000 1.065 15 I HN 0.275 nan 8.210 nan 0.000 0.424 16 E N 0.891 121.196 120.200 0.175 0.000 2.072 16 E HA -0.178 4.171 4.350 -0.000 0.000 0.190 16 E C 2.154 178.886 176.600 0.220 0.000 0.982 16 E CA 0.935 57.462 56.400 0.212 0.000 0.803 16 E CB 0.026 29.832 29.700 0.177 0.000 0.755 16 E HN 0.462 nan 8.360 nan 0.000 0.453 17 K N -0.091 120.401 120.400 0.153 0.000 2.155 17 K HA -0.149 4.170 4.320 -0.000 0.000 0.203 17 K C 1.756 178.463 176.600 0.180 0.000 1.052 17 K CA 0.950 57.305 56.287 0.114 0.000 0.948 17 K CB -0.124 32.408 32.500 0.054 0.000 0.728 17 K HN 0.194 nan 8.250 nan 0.000 0.448 18 W N 1.496 122.825 121.300 0.048 0.000 2.378 18 W HA -0.181 4.479 4.660 -0.000 0.000 0.313 18 W C 1.765 178.319 176.519 0.059 0.000 1.197 18 W CA 0.909 58.280 57.345 0.042 0.000 1.304 18 W CB -0.377 29.100 29.460 0.028 0.000 1.148 18 W HN -0.044 nan 8.180 nan 0.000 0.494 19 L N 0.314 121.723 121.223 0.309 0.000 2.083 19 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 19 L C 2.678 179.549 176.870 0.001 0.000 1.083 19 L CA 2.333 57.246 54.840 0.121 0.000 0.752 19 L CB -1.490 40.727 42.059 0.263 0.000 0.899 19 L HN 0.187 nan 8.230 nan 0.000 0.433 20 H N -0.812 118.273 119.070 0.025 0.000 2.389 20 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 20 H C 2.083 177.378 175.328 -0.054 0.000 1.081 20 H CA 1.459 57.521 56.048 0.024 0.000 1.345 20 H CB 0.146 29.956 29.762 0.080 0.000 1.393 20 H HN 0.539 nan 8.280 nan 0.000 0.520 21 S N -0.273 115.477 115.700 0.084 0.000 2.607 21 S HA 0.064 4.534 4.470 -0.000 0.000 0.224 21 S C 1.822 176.345 174.600 -0.129 0.000 0.969 21 S CA 0.155 58.354 58.200 -0.001 0.000 0.927 21 S CB 0.246 63.413 63.200 -0.054 0.000 0.772 21 S HN 0.387 nan 8.310 nan 0.000 0.533 22 R N -0.604 119.765 120.500 -0.217 0.000 2.215 22 R HA 0.488 4.828 4.340 -0.000 0.000 0.190 22 R C -0.731 175.451 176.300 -0.197 0.000 0.968 22 R CA 0.079 56.021 56.100 -0.264 0.000 1.122 22 R CB 0.220 30.240 30.300 -0.466 0.000 1.151 22 R HN 0.341 nan 8.270 nan 0.000 0.582 23 L N 2.264 123.370 121.223 -0.195 0.000 2.620 23 L HA 0.333 4.673 4.340 -0.000 0.000 0.261 23 L C -2.717 174.035 176.870 -0.196 0.000 0.978 23 L CA -1.698 53.043 54.840 -0.166 0.000 0.897 23 L CB 2.082 44.064 42.059 -0.127 0.000 1.207 23 L HN -0.117 nan 8.230 nan 0.000 0.425 24 P HA 0.139 nan 4.420 nan 0.000 0.238 24 P C 0.986 178.151 177.300 -0.225 0.000 1.714 24 P CA 0.135 63.013 63.100 -0.371 0.000 0.908 24 P CB -0.219 31.186 31.700 -0.491 0.000 1.893 25 I N -0.965 119.506 120.570 -0.164 0.000 2.315 25 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 25 I C 2.289 178.309 176.117 -0.161 0.000 1.117 25 I CA 0.953 62.172 61.300 -0.135 0.000 1.404 25 I CB -0.818 37.126 38.000 -0.094 0.000 1.071 25 I HN -0.081 nan 8.210 nan 0.000 0.419 26 V N 1.460 121.260 119.914 -0.190 0.000 2.358 26 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 26 V C 2.888 178.649 176.094 -0.554 0.000 1.047 26 V CA 1.853 63.958 62.300 -0.325 0.000 1.035 26 V CB -1.317 30.327 31.823 -0.298 0.000 0.658 26 V HN 0.485 nan 8.190 nan 0.000 0.452 27 A N 0.673 123.218 122.820 -0.458 0.000 1.842 27 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 27 A C 2.304 179.850 177.584 -0.064 0.000 1.206 27 A CA 2.431 54.338 52.037 -0.218 0.000 0.630 27 A CB -0.890 18.171 19.000 0.101 0.000 0.839 27 A HN 0.530 nan 8.150 nan 0.000 0.447 28 L N -0.754 120.426 121.223 -0.071 0.000 2.081 28 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 28 L C 2.539 179.382 176.870 -0.045 0.000 1.080 28 L CA 2.076 56.887 54.840 -0.049 0.000 0.754 28 L CB -0.333 41.664 42.059 -0.103 0.000 0.893 28 L HN 0.384 nan 8.230 nan 0.000 0.433 29 A N -1.457 121.314 122.820 -0.082 0.000 2.121 29 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 29 A C 2.004 179.584 177.584 -0.007 0.000 1.154 29 A CA 1.409 53.407 52.037 -0.066 0.000 0.679 29 A CB -0.794 18.149 19.000 -0.095 0.000 0.795 29 A HN 0.736 nan 8.150 nan 0.000 0.458 30 Y N 0.872 121.092 120.300 -0.133 0.000 2.201 30 Y HA -0.078 4.472 4.550 -0.000 0.000 0.292 30 Y C 1.596 177.556 175.900 0.099 0.000 1.119 30 Y CA 1.598 59.667 58.100 -0.051 0.000 1.127 30 Y CB -0.016 38.370 38.460 -0.123 0.000 1.019 30 Y HN 0.309 nan 8.280 nan 0.000 0.514 31 D N -0.658 119.863 120.400 0.203 0.000 2.265 31 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 31 D C 1.866 178.280 176.300 0.189 0.000 0.977 31 D CA 1.695 55.834 54.000 0.232 0.000 0.871 31 D CB -0.282 40.697 40.800 0.300 0.000 0.925 31 D HN 0.387 nan 8.370 nan 0.000 0.485 32 T N 0.356 114.960 114.554 0.082 0.000 2.894 32 T HA -0.001 4.349 4.350 -0.000 0.000 0.258 32 T C 1.750 176.585 174.700 0.226 0.000 1.043 32 T CA -0.001 62.118 62.100 0.030 0.000 1.141 32 T CB 0.142 68.935 68.868 -0.125 0.000 0.873 32 T HN 0.021 nan 8.240 nan 0.000 0.449 33 I N 0.787 121.464 120.570 0.178 0.000 3.578 33 I HA 0.199 4.369 4.170 -0.000 0.000 0.295 33 I C 1.259 177.583 176.117 0.346 0.000 1.280 33 I CA 0.741 62.227 61.300 0.311 0.000 1.347 33 I CB -0.140 37.902 38.000 0.070 0.000 1.051 33 I HN 0.118 nan 8.210 nan 0.000 0.460 34 M N -0.592 119.110 119.600 0.170 0.000 2.333 34 M HA 0.258 4.738 4.480 -0.000 0.000 0.257 34 M C 0.457 176.955 176.300 0.331 0.000 1.078 34 M CA -0.428 54.962 55.300 0.150 0.000 1.005 34 M CB -0.390 32.035 32.600 -0.291 0.000 1.444 34 M HN -0.027 nan 8.290 nan 0.000 0.496 35 I N 4.683 125.477 120.570 0.374 0.000 2.906 35 I HA -0.060 4.110 4.170 -0.000 0.000 0.301 35 I C -1.795 174.459 176.117 0.228 0.000 1.221 35 I CA -0.909 60.545 61.300 0.257 0.000 1.435 35 I CB 0.358 38.504 38.000 0.243 0.000 1.345 35 I HN 0.021 nan 8.210 nan 0.000 0.558 36 P HA 0.162 nan 4.420 nan 0.000 0.276 36 P C -1.151 176.204 177.300 0.092 0.000 1.235 36 P CA -0.277 62.898 63.100 0.125 0.000 0.772 36 P CB 0.566 32.306 31.700 0.066 0.000 0.871 37 T N 0.339 114.985 114.554 0.154 0.000 2.900 37 T HA 0.502 4.852 4.350 -0.000 0.000 0.295 37 T C -2.901 171.856 174.700 0.095 0.000 1.044 37 T CA -2.915 59.246 62.100 0.102 0.000 0.995 37 T CB 1.152 70.092 68.868 0.121 0.000 1.072 37 T HN 0.155 nan 8.240 nan 0.000 0.473 38 P HA -0.051 nan 4.420 nan 0.000 0.264 38 P C 0.500 177.742 177.300 -0.096 0.000 1.156 38 P CA 0.186 63.217 63.100 -0.116 0.000 0.756 38 P CB 0.701 32.264 31.700 -0.229 0.000 0.764 39 R N 1.638 121.993 120.500 -0.241 0.000 2.115 39 R HA -0.070 4.270 4.340 -0.000 0.000 0.230 39 R C 1.041 176.974 176.300 -0.611 0.000 1.111 39 R CA 0.934 56.709 56.100 -0.541 0.000 0.976 39 R CB -0.316 29.441 30.300 -0.906 0.000 0.870 39 R HN 0.643 nan 8.270 nan 0.000 0.445 40 N N 1.302 119.740 118.700 -0.436 0.000 2.422 40 N HA 0.193 4.933 4.740 -0.000 0.000 0.266 40 N C -0.886 174.353 175.510 -0.451 0.000 1.007 40 N CA -0.016 52.819 53.050 -0.357 0.000 0.941 40 N CB 1.530 39.889 38.487 -0.214 0.000 1.115 40 N HN 0.008 nan 8.380 nan 0.000 0.492 41 L N 2.012 122.959 121.223 -0.460 0.000 2.845 41 L HA 0.165 4.505 4.340 -0.000 0.000 0.253 41 L C -0.647 175.953 176.870 -0.451 0.000 0.959 41 L CA -0.853 53.534 54.840 -0.753 0.000 1.001 41 L CB 1.248 42.778 42.059 -0.881 0.000 1.374 41 L HN 0.642 nan 8.230 nan 0.000 0.469 42 N N 0.861 119.366 118.700 -0.326 0.000 2.347 42 N HA 0.095 4.835 4.740 -0.000 0.000 0.253 42 N C 0.799 176.338 175.510 0.048 0.000 1.274 42 N CA -0.403 52.534 53.050 -0.188 0.000 0.941 42 N CB 0.502 38.982 38.487 -0.012 0.000 1.200 42 N HN 0.578 nan 8.380 nan 0.000 0.514 43 W N -0.779 120.633 121.300 0.188 0.000 2.336 43 W HA -0.096 4.564 4.660 -0.000 0.000 0.277 43 W C 1.806 178.435 176.519 0.184 0.000 1.211 43 W CA -0.030 57.403 57.345 0.146 0.000 1.187 43 W CB -0.171 29.371 29.460 0.136 0.000 1.132 43 W HN 0.302 nan 8.180 nan 0.000 0.562 44 M N -1.337 118.601 119.600 0.563 0.000 2.700 44 M HA -0.132 4.348 4.480 -0.000 0.000 0.249 44 M C 1.105 177.622 176.300 0.362 0.000 1.082 44 M CA 0.668 56.300 55.300 0.555 0.000 1.077 44 M CB -1.169 31.719 32.600 0.481 0.000 1.477 44 M HN 0.314 nan 8.290 nan 0.000 0.529 45 W N 0.306 121.647 121.300 0.068 0.000 3.278 45 W HA 0.114 4.773 4.660 -0.000 0.000 0.308 45 W C 1.545 178.027 176.519 -0.063 0.000 1.253 45 W CA 0.166 57.494 57.345 -0.028 0.000 1.759 45 W CB 0.119 29.462 29.460 -0.195 0.000 1.093 45 W HN 0.260 nan 8.180 nan 0.000 0.648 46 I N -4.036 116.531 120.570 -0.004 0.000 3.251 46 I HA -0.010 4.160 4.170 -0.000 0.000 0.277 46 I C 1.641 177.545 176.117 -0.356 0.000 1.268 46 I CA 0.763 61.954 61.300 -0.182 0.000 1.449 46 I CB -0.744 37.091 38.000 -0.274 0.000 1.083 46 I HN -0.223 nan 8.210 nan 0.000 0.464 47 W N 2.141 123.498 121.300 0.095 0.000 2.421 47 W HA 0.083 4.743 4.660 -0.000 0.000 0.270 47 W C 2.558 178.981 176.519 -0.161 0.000 1.233 47 W CA 0.879 58.238 57.345 0.023 0.000 1.226 47 W CB -0.596 28.930 29.460 0.110 0.000 1.121 47 W HN 0.223 nan 8.180 nan 0.000 0.579 48 G N 0.292 109.051 108.800 -0.069 0.000 2.418 48 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 48 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 48 G C 1.486 176.368 174.900 -0.030 0.000 1.158 48 G CA 1.513 46.487 45.100 -0.210 0.000 0.771 48 G HN 0.146 nan 8.290 nan 0.000 0.545 49 V N 0.530 120.462 119.914 0.030 0.000 2.270 49 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 49 V C 3.055 179.199 176.094 0.085 0.000 1.043 49 V CA 1.478 63.833 62.300 0.091 0.000 1.014 49 V CB -0.442 31.444 31.823 0.105 0.000 0.645 49 V HN 0.233 nan 8.190 nan 0.000 0.447 50 V N -0.049 119.885 119.914 0.034 0.000 2.439 50 V HA -0.319 3.801 4.120 -0.000 0.000 0.253 50 V C 2.266 178.435 176.094 0.124 0.000 1.074 50 V CA 2.081 64.426 62.300 0.075 0.000 1.076 50 V CB -0.658 31.236 31.823 0.119 0.000 0.664 50 V HN 0.445 nan 8.190 nan 0.000 0.461 51 L N -0.376 120.908 121.223 0.103 0.000 2.044 51 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 51 L C 2.775 179.658 176.870 0.021 0.000 1.075 51 L CA 1.432 56.331 54.840 0.099 0.000 0.747 51 L CB -0.845 41.276 42.059 0.103 0.000 0.903 51 L HN 0.345 nan 8.230 nan 0.000 0.435 52 A N 0.273 123.136 122.820 0.072 0.000 1.873 52 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 52 A C 2.209 179.792 177.584 -0.003 0.000 1.193 52 A CA 2.094 54.170 52.037 0.064 0.000 0.629 52 A CB -1.119 17.957 19.000 0.127 0.000 0.826 52 A HN 0.428 nan 8.150 nan 0.000 0.447 53 F N 0.456 120.363 119.950 -0.072 0.000 2.091 53 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 53 F C 2.485 178.160 175.800 -0.208 0.000 1.103 53 F CA 1.855 59.800 58.000 -0.092 0.000 1.228 53 F CB -0.706 38.259 39.000 -0.058 0.000 0.984 53 F HN 0.312 nan 8.300 nan 0.000 0.477 54 C N 0.137 119.292 119.300 -0.242 0.000 2.413 54 C HA -0.164 4.296 4.460 -0.000 0.000 0.276 54 C C 2.687 177.150 174.990 -0.878 0.000 1.248 54 C CA 1.056 59.701 59.018 -0.622 0.000 1.742 54 C CB -1.494 25.742 27.740 -0.840 0.000 2.017 54 C HN 0.669 nan 8.230 nan 0.000 0.481 55 L N 0.614 121.358 121.223 -0.798 0.000 2.042 55 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 55 L C 2.450 179.099 176.870 -0.368 0.000 1.076 55 L CA 1.932 56.448 54.840 -0.540 0.000 0.749 55 L CB -0.728 41.205 42.059 -0.210 0.000 0.893 55 L HN 0.196 nan 8.230 nan 0.000 0.432 56 V N -0.606 119.096 119.914 -0.354 0.000 2.270 56 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 56 V C 2.487 178.366 176.094 -0.359 0.000 1.043 56 V CA 1.653 63.774 62.300 -0.298 0.000 1.014 56 V CB -0.683 30.977 31.823 -0.271 0.000 0.645 56 V HN 0.560 nan 8.190 nan 0.000 0.447 57 L N 0.225 121.098 121.223 -0.583 0.000 1.997 57 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 57 L C 2.478 179.218 176.870 -0.216 0.000 1.074 57 L CA 2.099 56.668 54.840 -0.451 0.000 0.763 57 L CB -0.939 40.768 42.059 -0.587 0.000 0.890 57 L HN 0.276 nan 8.230 nan 0.000 0.434 58 Q N -0.093 119.554 119.800 -0.256 0.000 2.061 58 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 58 Q C 2.421 178.397 176.000 -0.040 0.000 0.984 58 Q CA 2.390 58.139 55.803 -0.090 0.000 0.846 58 Q CB -0.470 28.142 28.738 -0.211 0.000 0.902 58 Q HN 0.677 nan 8.270 nan 0.000 0.421 59 I N 0.423 120.896 120.570 -0.161 0.000 2.179 59 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 59 I C 2.452 178.495 176.117 -0.124 0.000 1.088 59 I CA 1.226 62.417 61.300 -0.181 0.000 1.357 59 I CB -0.560 37.331 38.000 -0.181 0.000 1.051 59 I HN 0.096 nan 8.210 nan 0.000 0.409 60 V N -0.186 119.673 119.914 -0.092 0.000 2.270 60 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 60 V C 2.571 178.632 176.094 -0.056 0.000 1.043 60 V CA 2.354 64.622 62.300 -0.053 0.000 1.014 60 V CB -1.715 30.085 31.823 -0.037 0.000 0.645 60 V HN 0.584 nan 8.190 nan 0.000 0.447 61 T N -1.517 113.012 114.554 -0.042 0.000 2.897 61 T HA -0.035 4.315 4.350 -0.000 0.000 0.271 61 T C 1.956 176.543 174.700 -0.189 0.000 1.084 61 T CA 1.688 63.763 62.100 -0.041 0.000 1.123 61 T CB -1.237 67.667 68.868 0.060 0.000 0.865 61 T HN 0.814 nan 8.240 nan 0.000 0.496 62 G N 2.209 110.853 108.800 -0.260 0.000 2.464 62 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.214 62 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.214 62 G C 1.537 176.253 174.900 -0.308 0.000 1.218 62 G CA 0.765 45.590 45.100 -0.458 0.000 0.794 62 G HN 0.513 nan 8.290 nan 0.000 0.542 63 I N 0.831 121.269 120.570 -0.220 0.000 2.185 63 I HA -0.202 3.967 4.170 -0.000 0.000 0.246 63 I C 2.860 178.973 176.117 -0.007 0.000 1.088 63 I CA 0.961 62.207 61.300 -0.090 0.000 1.347 63 I CB -1.056 36.959 38.000 0.026 0.000 1.041 63 I HN 0.022 nan 8.210 nan 0.000 0.415 64 V N 1.273 121.180 119.914 -0.011 0.000 2.233 64 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 64 V C 2.606 178.767 176.094 0.111 0.000 1.050 64 V CA 1.858 64.190 62.300 0.054 0.000 1.010 64 V CB -0.544 31.302 31.823 0.039 0.000 0.637 64 V HN 0.341 nan 8.190 nan 0.000 0.444 65 L N -0.026 121.210 121.223 0.022 0.000 2.079 65 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 65 L C 2.579 179.535 176.870 0.142 0.000 1.081 65 L CA 1.527 56.404 54.840 0.061 0.000 0.752 65 L CB -0.661 41.332 42.059 -0.111 0.000 0.896 65 L HN 0.381 nan 8.230 nan 0.000 0.433 66 A N -0.909 121.975 122.820 0.106 0.000 2.125 66 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 66 A C 2.232 179.940 177.584 0.207 0.000 1.156 66 A CA 1.315 53.517 52.037 0.275 0.000 0.671 66 A CB -0.463 18.709 19.000 0.287 0.000 0.794 66 A HN 0.397 nan 8.150 nan 0.000 0.459 67 M N -1.383 118.259 119.600 0.071 0.000 2.476 67 M HA -0.037 4.443 4.480 -0.000 0.000 0.262 67 M C 1.183 177.230 176.300 -0.422 0.000 1.079 67 M CA 0.939 56.145 55.300 -0.157 0.000 1.104 67 M CB 0.005 32.458 32.600 -0.244 0.000 1.409 67 M HN 0.509 nan 8.290 nan 0.000 0.467 68 H N -3.248 115.866 119.070 0.073 0.000 3.241 68 H HA 0.139 4.695 4.556 -0.000 0.000 0.260 68 H C -0.528 174.799 175.328 -0.002 0.000 1.084 68 H CA -0.117 55.949 56.048 0.029 0.000 1.203 68 H CB 0.403 30.218 29.762 0.088 0.000 1.524 68 H HN 0.205 nan 8.280 nan 0.000 0.521 69 Y N 3.477 123.784 120.300 0.012 0.000 2.316 69 Y HA 0.262 4.812 4.550 -0.000 0.000 0.331 69 Y C 0.192 175.971 175.900 -0.201 0.000 1.083 69 Y CA -0.705 57.355 58.100 -0.068 0.000 1.206 69 Y CB 0.963 39.411 38.460 -0.020 0.000 1.195 69 Y HN -0.075 nan 8.280 nan 0.000 0.497 70 T N 5.987 119.970 114.554 -0.951 0.000 2.772 70 T HA 0.398 4.748 4.350 -0.000 0.000 0.288 70 T C -2.879 171.155 174.700 -1.111 0.000 0.994 70 T CA -2.491 59.124 62.100 -0.808 0.000 0.951 70 T CB 1.467 70.053 68.868 -0.470 0.000 0.933 70 T HN 0.556 nan 8.240 nan 0.000 0.447 71 P HA 0.187 nan 4.420 nan 0.000 0.244 71 P C -0.815 176.299 177.300 -0.311 0.000 1.769 71 P CA 0.091 62.872 63.100 -0.532 0.000 1.102 71 P CB -0.439 31.006 31.700 -0.425 0.000 1.937 72 H N 1.990 120.775 119.070 -0.475 0.000 3.042 72 H HA 0.050 4.605 4.556 -0.000 0.000 0.345 72 H C 0.572 175.629 175.328 -0.451 0.000 1.052 72 H CA -0.490 55.319 56.048 -0.399 0.000 1.311 72 H CB 2.568 32.148 29.762 -0.302 0.000 1.810 72 H HN -0.115 nan 8.280 nan 0.000 0.505 73 V N 4.146 123.616 119.914 -0.740 0.000 2.280 73 V HA -0.325 3.794 4.120 -0.000 0.000 0.258 73 V C 1.441 177.397 176.094 -0.229 0.000 1.081 73 V CA 2.904 64.763 62.300 -0.736 0.000 1.070 73 V CB -0.058 31.374 31.823 -0.651 0.000 0.666 73 V HN 0.755 nan 8.190 nan 0.000 0.450 74 D N -1.003 119.441 120.400 0.074 0.000 2.269 74 D HA -0.014 4.626 4.640 -0.000 0.000 0.208 74 D C 1.725 178.052 176.300 0.045 0.000 0.963 74 D CA 1.339 55.404 54.000 0.107 0.000 0.864 74 D CB 0.146 41.037 40.800 0.151 0.000 0.936 74 D HN 0.504 nan 8.370 nan 0.000 0.505 75 L N -0.483 120.739 121.223 -0.002 0.000 2.749 75 L HA 0.304 4.644 4.340 -0.000 0.000 0.242 75 L C 2.268 179.071 176.870 -0.111 0.000 1.103 75 L CA 0.095 54.888 54.840 -0.079 0.000 0.906 75 L CB 0.003 41.957 42.059 -0.175 0.000 1.228 75 L HN -0.188 nan 8.230 nan 0.000 0.517 76 A N 1.070 123.794 122.820 -0.160 0.000 1.881 76 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 76 A C 2.145 179.802 177.584 0.120 0.000 1.215 76 A CA 2.320 54.256 52.037 -0.167 0.000 0.648 76 A CB -0.972 17.931 19.000 -0.161 0.000 0.832 76 A HN 0.376 nan 8.150 nan 0.000 0.455 77 F N 0.619 120.627 119.950 0.096 0.000 2.075 77 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 77 F C 2.658 178.530 175.800 0.120 0.000 1.113 77 F CA 1.338 59.436 58.000 0.162 0.000 1.218 77 F CB -0.725 38.385 39.000 0.183 0.000 0.984 77 F HN 0.279 nan 8.300 nan 0.000 0.472 78 A N -0.080 122.843 122.820 0.171 0.000 1.903 78 A HA -0.323 3.997 4.320 -0.000 0.000 0.219 78 A C 2.407 179.991 177.584 0.000 0.000 1.191 78 A CA 2.832 54.904 52.037 0.059 0.000 0.638 78 A CB -1.704 17.346 19.000 0.082 0.000 0.823 78 A HN 0.574 nan 8.150 nan 0.000 0.451 79 S N -0.536 115.148 115.700 -0.026 0.000 2.387 79 S HA -0.157 4.313 4.470 -0.000 0.000 0.230 79 S C 1.750 176.388 174.600 0.063 0.000 1.035 79 S CA 1.889 60.060 58.200 -0.049 0.000 1.014 79 S CB -0.824 62.257 63.200 -0.199 0.000 0.836 79 S HN 0.345 nan 8.310 nan 0.000 0.466 80 V N 1.309 121.252 119.914 0.048 0.000 2.667 80 V HA 0.026 4.146 4.120 -0.000 0.000 0.252 80 V C 2.800 178.870 176.094 -0.040 0.000 1.065 80 V CA 1.867 64.195 62.300 0.046 0.000 1.083 80 V CB -0.778 31.057 31.823 0.020 0.000 0.692 80 V HN 0.455 nan 8.190 nan 0.000 0.468 81 E N -0.455 119.673 120.200 -0.119 0.000 2.216 81 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 81 E C 2.131 178.721 176.600 -0.017 0.000 0.988 81 E CA 0.715 57.048 56.400 -0.112 0.000 0.834 81 E CB -0.336 29.263 29.700 -0.168 0.000 0.772 81 E HN 0.708 nan 8.360 nan 0.000 0.479 82 H N 0.640 119.673 119.070 -0.061 0.000 2.299 82 H HA -0.051 4.505 4.556 -0.000 0.000 0.302 82 H C 1.987 177.291 175.328 -0.040 0.000 1.078 82 H CA 1.761 57.789 56.048 -0.034 0.000 1.323 82 H CB -0.363 29.387 29.762 -0.020 0.000 1.381 82 H HN 0.189 nan 8.280 nan 0.000 0.498 83 I N 0.611 121.303 120.570 0.202 0.000 2.502 83 I HA -0.294 3.876 4.170 -0.000 0.000 0.258 83 I C 2.382 178.467 176.117 -0.054 0.000 1.172 83 I CA 0.788 62.124 61.300 0.060 0.000 1.430 83 I CB -0.169 37.877 38.000 0.076 0.000 1.086 83 I HN 0.307 nan 8.210 nan 0.000 0.440 84 M N -0.308 119.266 119.600 -0.043 0.000 2.325 84 M HA -0.037 4.443 4.480 -0.000 0.000 0.265 84 M C 2.305 178.608 176.300 0.004 0.000 1.094 84 M CA 1.605 56.892 55.300 -0.022 0.000 1.161 84 M CB -0.690 31.883 32.600 -0.044 0.000 1.358 84 M HN 0.158 nan 8.290 nan 0.000 0.446 85 R N -0.458 120.000 120.500 -0.070 0.000 2.156 85 R HA 0.061 4.401 4.340 -0.000 0.000 0.207 85 R C 1.645 177.872 176.300 -0.122 0.000 1.040 85 R CA 0.713 56.764 56.100 -0.082 0.000 1.013 85 R CB 0.092 30.339 30.300 -0.089 0.000 0.931 85 R HN 0.366 nan 8.270 nan 0.000 0.465 86 N N 0.208 118.755 118.700 -0.255 0.000 2.517 86 N HA 0.027 4.767 4.740 -0.000 0.000 0.202 86 N C 0.334 175.712 175.510 -0.220 0.000 1.042 86 N CA 0.170 53.041 53.050 -0.297 0.000 0.952 86 N CB -0.280 37.849 38.487 -0.598 0.000 1.211 86 N HN -0.165 nan 8.380 nan 0.000 0.458 87 V N 3.871 123.614 119.914 -0.287 0.000 2.681 87 V HA -0.112 4.008 4.120 -0.000 0.000 0.306 87 V C 0.399 176.404 176.094 -0.149 0.000 1.077 87 V CA -0.013 62.139 62.300 -0.245 0.000 1.224 87 V CB -0.311 31.236 31.823 -0.461 0.000 0.879 87 V HN 0.276 nan 8.190 nan 0.000 0.494 88 N N 4.574 123.212 118.700 -0.104 0.000 2.418 88 N HA 0.075 4.815 4.740 -0.000 0.000 0.277 88 N C 1.233 176.686 175.510 -0.095 0.000 1.317 88 N CA 1.209 54.228 53.050 -0.051 0.000 0.922 88 N CB 0.653 39.127 38.487 -0.022 0.000 1.194 88 N HN 1.120 nan 8.380 nan 0.000 0.485 89 G N 1.772 110.514 108.800 -0.097 0.000 2.155 89 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 89 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 89 G C 1.240 175.850 174.900 -0.482 0.000 0.983 89 G CA 0.617 45.509 45.100 -0.346 0.000 0.676 89 G HN 0.690 nan 8.290 nan 0.000 0.528 90 G N 1.162 109.798 108.800 -0.273 0.000 2.459 90 G HA2 0.010 3.970 3.960 -0.000 0.000 0.217 90 G HA3 0.010 3.970 3.960 -0.000 0.000 0.217 90 G C 1.602 176.345 174.900 -0.261 0.000 1.183 90 G CA 1.635 46.598 45.100 -0.229 0.000 0.776 90 G HN 1.287 nan 8.290 nan 0.000 0.552 91 F N 0.158 120.036 119.950 -0.119 0.000 2.141 91 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 91 F C 2.216 177.942 175.800 -0.123 0.000 1.079 91 F CA 1.699 59.599 58.000 -0.166 0.000 1.264 91 F CB -0.461 38.488 39.000 -0.085 0.000 1.011 91 F HN 0.076 nan 8.300 nan 0.000 0.487 92 M N -0.023 118.965 119.600 -1.021 0.000 2.541 92 M HA 0.165 4.645 4.480 -0.000 0.000 0.252 92 M C 1.825 178.024 176.300 -0.169 0.000 1.125 92 M CA 0.652 55.676 55.300 -0.459 0.000 1.091 92 M CB -0.319 31.883 32.600 -0.663 0.000 1.420 92 M HN 0.390 nan 8.290 nan 0.000 0.486 93 L N -1.252 119.849 121.223 -0.203 0.000 2.253 93 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 93 L C 2.613 179.487 176.870 0.005 0.000 1.078 93 L CA 0.316 55.117 54.840 -0.065 0.000 0.805 93 L CB -0.475 41.532 42.059 -0.087 0.000 0.963 93 L HN 0.160 nan 8.230 nan 0.000 0.459 94 R N 0.262 120.727 120.500 -0.058 0.000 2.070 94 R HA -0.199 4.141 4.340 -0.000 0.000 0.232 94 R C 2.318 178.675 176.300 0.095 0.000 1.138 94 R CA 1.982 58.069 56.100 -0.021 0.000 0.936 94 R CB -0.726 29.481 30.300 -0.155 0.000 0.839 94 R HN 0.203 nan 8.270 nan 0.000 0.429 95 Y N 1.056 121.432 120.300 0.126 0.000 2.207 95 Y HA -0.162 4.387 4.550 -0.000 0.000 0.287 95 Y C 2.436 178.409 175.900 0.121 0.000 1.156 95 Y CA 0.936 59.117 58.100 0.135 0.000 1.182 95 Y CB -0.689 37.842 38.460 0.117 0.000 0.979 95 Y HN 0.039 nan 8.280 nan 0.000 0.521 96 L N -1.460 119.911 121.223 0.247 0.000 2.056 96 L HA -0.247 4.093 4.340 -0.000 0.000 0.207 96 L C 2.438 179.491 176.870 0.306 0.000 1.078 96 L CA 1.557 56.527 54.840 0.218 0.000 0.749 96 L CB -0.440 41.714 42.059 0.158 0.000 0.901 96 L HN 0.232 nan 8.230 nan 0.000 0.433 97 H N -0.418 118.745 119.070 0.155 0.000 2.357 97 H HA -0.111 4.445 4.556 -0.000 0.000 0.301 97 H C 2.064 177.498 175.328 0.176 0.000 1.082 97 H CA 1.500 57.623 56.048 0.124 0.000 1.342 97 H CB 0.088 29.897 29.762 0.078 0.000 1.389 97 H HN 0.314 nan 8.280 nan 0.000 0.511 98 A N 0.373 123.333 122.820 0.233 0.000 1.855 98 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 98 A C 2.164 179.908 177.584 0.267 0.000 1.191 98 A CA 1.819 53.995 52.037 0.232 0.000 0.613 98 A CB -0.575 18.612 19.000 0.312 0.000 0.829 98 A HN 0.586 nan 8.150 nan 0.000 0.442 99 N N 0.017 118.919 118.700 0.338 0.000 2.512 99 N HA 0.039 4.779 4.740 -0.000 0.000 0.183 99 N C 1.599 177.348 175.510 0.398 0.000 1.073 99 N CA 0.854 54.155 53.050 0.419 0.000 0.911 99 N CB -0.217 38.549 38.487 0.464 0.000 0.964 99 N HN 0.484 nan 8.380 nan 0.000 0.447 100 G N 0.533 109.498 108.800 0.276 0.000 2.418 100 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 100 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 100 G C 1.607 176.496 174.900 -0.019 0.000 1.158 100 G CA 0.848 45.970 45.100 0.037 0.000 0.771 100 G HN 0.380 nan 8.290 nan 0.000 0.545 101 A N 0.868 123.703 122.820 0.025 0.000 1.883 101 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 101 A C 2.720 180.363 177.584 0.098 0.000 1.186 101 A CA 2.377 54.421 52.037 0.012 0.000 0.624 101 A CB -0.824 18.198 19.000 0.037 0.000 0.822 101 A HN 0.326 nan 8.150 nan 0.000 0.444 102 S N -0.442 115.454 115.700 0.328 0.000 2.365 102 S HA -0.209 4.261 4.470 -0.000 0.000 0.221 102 S C 1.925 176.820 174.600 0.492 0.000 1.037 102 S CA 1.660 60.229 58.200 0.615 0.000 1.060 102 S CB -0.665 62.979 63.200 0.739 0.000 0.974 102 S HN 0.597 nan 8.310 nan 0.000 0.427 103 L N 1.165 122.546 121.223 0.264 0.000 2.081 103 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 103 L C 1.968 178.919 176.870 0.136 0.000 1.080 103 L CA 1.750 56.658 54.840 0.113 0.000 0.754 103 L CB -0.812 41.084 42.059 -0.271 0.000 0.893 103 L HN 0.228 nan 8.230 nan 0.000 0.433 104 F N -0.433 119.418 119.950 -0.165 0.000 2.126 104 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 104 F C 2.095 177.638 175.800 -0.430 0.000 1.096 104 F CA 1.500 59.300 58.000 -0.333 0.000 1.255 104 F CB -0.826 37.858 39.000 -0.526 0.000 0.997 104 F HN 0.145 nan 8.300 nan 0.000 0.479 105 F N -0.005 119.919 119.950 -0.042 0.000 2.149 105 F HA -0.053 4.474 4.527 -0.000 0.000 0.294 105 F C 2.452 178.263 175.800 0.018 0.000 1.095 105 F CA 0.999 58.850 58.000 -0.249 0.000 1.276 105 F CB -1.012 37.711 39.000 -0.461 0.000 1.023 105 F HN -0.189 nan 8.300 nan 0.000 0.480 106 I N -0.083 120.835 120.570 0.579 0.000 2.315 106 I HA -0.365 3.805 4.170 -0.000 0.000 0.251 106 I C 2.473 178.676 176.117 0.144 0.000 1.125 106 I CA 1.259 62.849 61.300 0.484 0.000 1.392 106 I CB -0.764 37.441 38.000 0.343 0.000 1.065 106 I HN 0.131 nan 8.210 nan 0.000 0.424 107 A N 0.073 122.963 122.820 0.116 0.000 1.855 107 A HA -0.106 4.214 4.320 -0.000 0.000 0.213 107 A C 2.458 180.080 177.584 0.063 0.000 1.195 107 A CA 1.215 53.301 52.037 0.082 0.000 0.610 107 A CB -0.984 18.186 19.000 0.284 0.000 0.837 107 A HN 0.210 nan 8.150 nan 0.000 0.444 108 V N -0.915 118.998 119.914 -0.003 0.000 2.469 108 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 108 V C 2.280 178.354 176.094 -0.033 0.000 1.064 108 V CA 1.977 64.251 62.300 -0.043 0.000 1.066 108 V CB -0.802 30.874 31.823 -0.245 0.000 0.667 108 V HN 0.634 nan 8.190 nan 0.000 0.461 109 Y N -0.365 120.034 120.300 0.164 0.000 2.220 109 Y HA -0.028 4.522 4.550 -0.000 0.000 0.291 109 Y C 2.260 178.242 175.900 0.136 0.000 1.129 109 Y CA 1.177 59.366 58.100 0.149 0.000 1.161 109 Y CB -0.663 37.993 38.460 0.328 0.000 0.997 109 Y HN 0.161 nan 8.280 nan 0.000 0.522 110 L N -1.004 120.281 121.223 0.104 0.000 2.046 110 L HA -0.269 4.071 4.340 -0.000 0.000 0.208 110 L C 2.459 179.320 176.870 -0.015 0.000 1.077 110 L CA 1.801 56.543 54.840 -0.163 0.000 0.747 110 L CB -0.571 40.897 42.059 -0.985 0.000 0.896 110 L HN 0.278 nan 8.230 nan 0.000 0.432 111 H N 0.297 119.341 119.070 -0.044 0.000 2.321 111 H HA -0.149 4.407 4.556 -0.000 0.000 0.300 111 H C 2.143 177.523 175.328 0.086 0.000 1.087 111 H CA 1.831 57.939 56.048 0.100 0.000 1.319 111 H CB -0.043 29.799 29.762 0.133 0.000 1.379 111 H HN 0.180 nan 8.280 nan 0.000 0.501 112 I N -0.769 119.812 120.570 0.017 0.000 2.142 112 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 112 I C 1.847 177.945 176.117 -0.032 0.000 1.078 112 I CA 1.239 62.491 61.300 -0.079 0.000 1.343 112 I CB -0.373 37.496 38.000 -0.218 0.000 1.046 112 I HN 0.178 nan 8.210 nan 0.000 0.405 113 F N 0.748 120.741 119.950 0.072 0.000 2.171 113 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 113 F C 2.647 178.593 175.800 0.244 0.000 1.090 113 F CA 1.270 59.331 58.000 0.101 0.000 1.293 113 F CB -0.543 38.445 39.000 -0.020 0.000 1.013 113 F HN -0.007 nan 8.300 nan 0.000 0.486 114 R N 1.225 121.917 120.500 0.319 0.000 2.091 114 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 114 R C 2.314 178.778 176.300 0.273 0.000 1.136 114 R CA 1.697 57.963 56.100 0.277 0.000 0.959 114 R CB -1.403 28.952 30.300 0.091 0.000 0.856 114 R HN 0.383 nan 8.270 nan 0.000 0.437 115 G N 1.259 110.166 108.800 0.178 0.000 2.433 115 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 115 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 115 G C 1.805 176.893 174.900 0.314 0.000 1.186 115 G CA 0.709 45.940 45.100 0.219 0.000 0.779 115 G HN 0.312 nan 8.290 nan 0.000 0.543 116 L N -1.003 120.446 121.223 0.376 0.000 2.043 116 L HA -0.155 4.184 4.340 -0.000 0.000 0.212 116 L C 2.615 179.874 176.870 0.648 0.000 1.075 116 L CA 1.567 56.705 54.840 0.498 0.000 0.752 116 L CB -0.486 41.768 42.059 0.324 0.000 0.891 116 L HN 0.317 nan 8.230 nan 0.000 0.432 117 Y N -0.254 120.291 120.300 0.410 0.000 2.153 117 Y HA -0.234 4.316 4.550 -0.000 0.000 0.289 117 Y C 1.968 177.666 175.900 -0.337 0.000 1.127 117 Y CA 1.420 59.434 58.100 -0.143 0.000 1.131 117 Y CB -0.265 37.731 38.460 -0.774 0.000 0.995 117 Y HN 0.038 nan 8.280 nan 0.000 0.505 118 Y N 0.431 120.822 120.300 0.152 0.000 2.462 118 Y HA 0.248 4.798 4.550 -0.000 0.000 0.293 118 Y C 1.698 177.464 175.900 -0.223 0.000 1.195 118 Y CA 0.270 58.373 58.100 0.006 0.000 1.276 118 Y CB -0.277 38.299 38.460 0.193 0.000 1.082 118 Y HN 0.285 nan 8.280 nan 0.000 0.514 119 G N -0.248 108.351 108.800 -0.335 0.000 2.249 119 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.273 119 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.273 119 G C 1.132 175.605 174.900 -0.712 0.000 1.036 119 G CA 0.685 45.271 45.100 -0.856 0.000 0.824 119 G HN 0.395 nan 8.290 nan 0.000 0.504 120 S N -0.961 114.500 115.700 -0.398 0.000 2.547 120 S HA -0.005 4.465 4.470 -0.000 0.000 0.235 120 S C 1.761 176.244 174.600 -0.195 0.000 0.980 120 S CA 1.542 59.636 58.200 -0.177 0.000 0.941 120 S CB -0.269 62.916 63.200 -0.025 0.000 0.763 120 S HN 0.953 nan 8.310 nan 0.000 0.532 121 Y N 0.498 120.607 120.300 -0.317 0.000 2.497 121 Y HA 0.457 5.007 4.550 -0.000 0.000 0.265 121 Y C 0.287 175.936 175.900 -0.419 0.000 1.111 121 Y CA -0.811 56.973 58.100 -0.527 0.000 1.288 121 Y CB -0.398 37.178 38.460 -1.474 0.000 1.082 121 Y HN -0.101 nan 8.280 nan 0.000 0.536 122 K N 2.185 122.159 120.400 -0.709 0.000 2.298 122 K HA 0.450 4.770 4.320 -0.000 0.000 0.280 122 K C 0.472 176.906 176.600 -0.277 0.000 1.032 122 K CA 0.020 56.037 56.287 -0.450 0.000 0.958 122 K CB 0.868 33.063 32.500 -0.508 0.000 0.978 122 K HN 0.349 nan 8.250 nan 0.000 0.472 123 A N 4.686 127.373 122.820 -0.222 0.000 2.642 123 A HA -0.060 4.260 4.320 -0.000 0.000 0.228 123 A C -1.053 176.466 177.584 -0.108 0.000 1.045 123 A CA -0.449 51.503 52.037 -0.141 0.000 0.760 123 A CB -0.258 18.669 19.000 -0.121 0.000 0.958 123 A HN 0.674 nan 8.150 nan 0.000 0.505 124 P HA -0.006 nan 4.420 nan 0.000 0.245 124 P C 0.450 177.739 177.300 -0.018 0.000 1.206 124 P CA 0.471 63.548 63.100 -0.037 0.000 0.781 124 P CB 0.082 31.771 31.700 -0.018 0.000 0.994 125 R N 0.669 121.157 120.500 -0.020 0.000 2.386 125 R HA 0.028 4.368 4.340 -0.000 0.000 0.216 125 R C 1.402 177.752 176.300 0.084 0.000 1.119 125 R CA 0.258 56.382 56.100 0.040 0.000 1.158 125 R CB -0.651 29.674 30.300 0.042 0.000 1.057 125 R HN 0.326 nan 8.270 nan 0.000 0.489 126 E N -0.060 120.156 120.200 0.027 0.000 2.204 126 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 126 E C 1.494 178.216 176.600 0.203 0.000 0.989 126 E CA 0.990 57.416 56.400 0.043 0.000 0.824 126 E CB 0.181 29.825 29.700 -0.092 0.000 0.756 126 E HN 0.140 nan 8.360 nan 0.000 0.477 127 V N 0.503 120.515 119.914 0.165 0.000 2.446 127 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 127 V C 2.147 178.369 176.094 0.213 0.000 1.039 127 V CA 1.813 64.216 62.300 0.171 0.000 1.045 127 V CB -0.549 31.322 31.823 0.081 0.000 0.681 127 V HN 0.291 nan 8.190 nan 0.000 0.459 128 T N -0.448 114.245 114.554 0.232 0.000 2.699 128 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 128 T C 1.547 176.482 174.700 0.391 0.000 1.036 128 T CA 2.029 64.329 62.100 0.332 0.000 1.147 128 T CB -0.363 68.690 68.868 0.309 0.000 0.862 128 T HN 0.695 nan 8.240 nan 0.000 0.446 129 W N 1.381 122.783 121.300 0.170 0.000 2.355 129 W HA -0.086 4.574 4.660 -0.000 0.000 0.309 129 W C 1.902 178.497 176.519 0.127 0.000 1.206 129 W CA 0.918 58.348 57.345 0.142 0.000 1.284 129 W CB -0.427 29.106 29.460 0.122 0.000 1.145 129 W HN 0.250 nan 8.180 nan 0.000 0.502 130 I N 0.290 120.980 120.570 0.200 0.000 2.252 130 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 130 I C 2.316 178.430 176.117 -0.005 0.000 1.102 130 I CA 1.137 62.494 61.300 0.095 0.000 1.385 130 I CB -0.974 37.156 38.000 0.217 0.000 1.064 130 I HN -0.254 nan 8.210 nan 0.000 0.414 131 V N 1.067 121.009 119.914 0.047 0.000 2.295 131 V HA -0.240 3.879 4.120 -0.000 0.000 0.246 131 V C 2.629 178.650 176.094 -0.122 0.000 1.049 131 V CA 2.247 64.558 62.300 0.019 0.000 1.024 131 V CB -1.512 30.381 31.823 0.117 0.000 0.648 131 V HN 0.582 nan 8.190 nan 0.000 0.447 132 G N -0.821 107.841 108.800 -0.229 0.000 2.440 132 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 132 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 132 G C 1.554 176.249 174.900 -0.343 0.000 1.154 132 G CA 1.368 46.186 45.100 -0.469 0.000 0.767 132 G HN 0.384 nan 8.290 nan 0.000 0.552 133 M N 0.263 119.644 119.600 -0.365 0.000 2.159 133 M HA 0.128 4.608 4.480 -0.000 0.000 0.263 133 M C 2.388 178.638 176.300 -0.083 0.000 1.063 133 M CA 1.046 56.189 55.300 -0.262 0.000 1.110 133 M CB -0.534 31.899 32.600 -0.278 0.000 1.374 133 M HN 0.211 nan 8.290 nan 0.000 0.411 134 L N -1.252 119.922 121.223 -0.082 0.000 2.027 134 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 134 L C 2.282 179.117 176.870 -0.058 0.000 1.074 134 L CA 1.135 55.947 54.840 -0.047 0.000 0.745 134 L CB -0.633 41.410 42.059 -0.028 0.000 0.898 134 L HN 0.252 nan 8.230 nan 0.000 0.433 135 I N -1.290 119.230 120.570 -0.084 0.000 2.264 135 I HA -0.367 3.803 4.170 -0.000 0.000 0.248 135 I C 2.534 178.598 176.117 -0.090 0.000 1.111 135 I CA 1.448 62.692 61.300 -0.094 0.000 1.382 135 I CB -0.339 37.578 38.000 -0.139 0.000 1.060 135 I HN 0.228 nan 8.210 nan 0.000 0.418 136 Y N 0.944 121.125 120.300 -0.198 0.000 2.181 136 Y HA -0.248 4.302 4.550 -0.000 0.000 0.288 136 Y C 2.229 178.067 175.900 -0.104 0.000 1.146 136 Y CA 1.382 59.378 58.100 -0.173 0.000 1.164 136 Y CB -0.337 38.024 38.460 -0.165 0.000 0.982 136 Y HN 0.020 nan 8.280 nan 0.000 0.515 137 L N 0.273 121.376 121.223 -0.200 0.000 2.017 137 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 137 L C 2.617 179.375 176.870 -0.188 0.000 1.073 137 L CA 2.134 56.831 54.840 -0.237 0.000 0.745 137 L CB -1.426 40.578 42.059 -0.092 0.000 0.894 137 L HN 0.281 nan 8.230 nan 0.000 0.432 138 A N -1.199 121.546 122.820 -0.126 0.000 1.902 138 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 138 A C 2.306 179.825 177.584 -0.108 0.000 1.181 138 A CA 2.116 54.100 52.037 -0.087 0.000 0.623 138 A CB -0.539 18.421 19.000 -0.068 0.000 0.818 138 A HN 0.465 nan 8.150 nan 0.000 0.443 139 M N -0.942 118.542 119.600 -0.194 0.000 2.073 139 M HA -0.246 4.234 4.480 -0.000 0.000 0.258 139 M C 2.441 178.711 176.300 -0.051 0.000 1.070 139 M CA 2.192 57.329 55.300 -0.272 0.000 1.103 139 M CB -0.548 31.726 32.600 -0.543 0.000 1.321 139 M HN 0.479 nan 8.290 nan 0.000 0.405 140 M N -0.453 119.136 119.600 -0.020 0.000 2.086 140 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 140 M C 2.519 178.948 176.300 0.214 0.000 1.067 140 M CA 1.725 57.138 55.300 0.188 0.000 1.116 140 M CB -0.898 31.654 32.600 -0.080 0.000 1.348 140 M HN 0.362 nan 8.290 nan 0.000 0.407 141 A N 0.587 123.454 122.820 0.077 0.000 1.892 141 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 141 A C 2.274 179.967 177.584 0.180 0.000 1.188 141 A CA 2.597 54.714 52.037 0.133 0.000 0.631 141 A CB -1.330 17.701 19.000 0.052 0.000 0.822 141 A HN 0.514 nan 8.150 nan 0.000 0.447 142 T N 0.241 114.867 114.554 0.121 0.000 2.614 142 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 142 T C 2.236 177.075 174.700 0.232 0.000 1.055 142 T CA 1.858 64.057 62.100 0.164 0.000 1.162 142 T CB -0.688 68.226 68.868 0.078 0.000 0.863 142 T HN 0.680 nan 8.240 nan 0.000 0.414 143 A N 0.926 123.882 122.820 0.225 0.000 2.093 143 A HA -0.125 4.194 4.320 -0.000 0.000 0.222 143 A C 1.937 179.711 177.584 0.317 0.000 1.162 143 A CA 1.630 53.807 52.037 0.233 0.000 0.655 143 A CB -0.909 18.223 19.000 0.220 0.000 0.805 143 A HN 0.545 nan 8.150 nan 0.000 0.461 144 F N -0.219 119.879 119.950 0.246 0.000 2.123 144 F HA 0.032 4.559 4.527 -0.000 0.000 0.289 144 F C 2.169 178.065 175.800 0.159 0.000 1.099 144 F CA 1.572 59.732 58.000 0.267 0.000 1.234 144 F CB -0.646 38.472 39.000 0.196 0.000 1.034 144 F HN 0.144 nan 8.300 nan 0.000 0.479 145 M N 0.649 119.895 119.600 -0.590 0.000 2.108 145 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 145 M C 2.437 178.472 176.300 -0.442 0.000 1.066 145 M CA 1.816 56.708 55.300 -0.680 0.000 1.107 145 M CB -1.413 30.901 32.600 -0.476 0.000 1.356 145 M HN 0.406 nan 8.290 nan 0.000 0.406 146 G N -0.623 107.791 108.800 -0.643 0.000 2.459 146 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 146 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 146 G C 1.307 176.079 174.900 -0.214 0.000 1.183 146 G CA 0.808 45.391 45.100 -0.861 0.000 0.776 146 G HN 0.420 nan 8.290 nan 0.000 0.552 147 Y N 1.039 121.251 120.300 -0.147 0.000 2.315 147 Y HA -0.116 4.433 4.550 -0.000 0.000 0.288 147 Y C 2.852 178.763 175.900 0.018 0.000 1.154 147 Y CA 1.162 59.253 58.100 -0.015 0.000 1.229 147 Y CB -0.083 38.413 38.460 0.060 0.000 0.980 147 Y HN 0.053 nan 8.280 nan 0.000 0.540 148 V N -0.145 119.787 119.914 0.030 0.000 2.548 148 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 148 V C 2.373 178.599 176.094 0.220 0.000 1.055 148 V CA 1.605 63.967 62.300 0.104 0.000 1.065 148 V CB -0.654 31.269 31.823 0.168 0.000 0.681 148 V HN 0.404 nan 8.190 nan 0.000 0.462 149 L N 0.036 121.331 121.223 0.121 0.000 2.021 149 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 149 L C 0.016 177.053 176.870 0.279 0.000 1.074 149 L CA 1.987 56.917 54.840 0.151 0.000 0.760 149 L CB -2.074 39.883 42.059 -0.169 0.000 0.889 149 L HN 0.357 nan 8.230 nan 0.000 0.433 150 P HA -0.223 nan 4.420 nan 0.000 0.223 150 P C 0.160 177.779 177.300 0.532 0.000 1.144 150 P CA 0.848 64.121 63.100 0.287 0.000 0.783 150 P CB -0.071 31.697 31.700 0.112 0.000 0.771 151 W N -0.551 120.829 121.300 0.133 0.000 5.721 151 W HA -0.158 4.502 4.660 -0.000 0.000 0.406 151 W C 0.124 176.672 176.519 0.048 0.000 1.576 151 W CA 0.127 57.532 57.345 0.100 0.000 0.977 151 W CB -1.334 28.196 29.460 0.117 0.000 2.771 151 W HN -0.045 nan 8.180 nan 0.000 1.435 152 G N 0.530 109.339 108.800 0.015 0.000 2.671 152 G HA2 0.244 4.204 3.960 -0.000 0.000 0.275 152 G HA3 0.244 4.204 3.960 -0.000 0.000 0.275 152 G C 0.512 175.290 174.900 -0.203 0.000 1.368 152 G CA 0.026 45.054 45.100 -0.119 0.000 1.044 152 G HN 0.177 nan 8.290 nan 0.000 0.543 153 Q N -0.938 118.791 119.800 -0.118 0.000 2.020 153 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 153 Q C 2.823 178.880 176.000 0.094 0.000 0.982 153 Q CA 1.197 57.005 55.803 0.008 0.000 0.838 153 Q CB -0.331 28.450 28.738 0.072 0.000 0.899 153 Q HN 0.437 nan 8.270 nan 0.000 0.423 154 M N 0.342 119.958 119.600 0.026 0.000 2.080 154 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 154 M C 2.243 178.615 176.300 0.120 0.000 1.068 154 M CA 1.282 56.648 55.300 0.110 0.000 1.109 154 M CB -1.443 31.289 32.600 0.220 0.000 1.342 154 M HN 0.024 nan 8.290 nan 0.000 0.405 155 S N 0.717 116.366 115.700 -0.084 0.000 2.368 155 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 155 S C 1.763 176.269 174.600 -0.158 0.000 1.044 155 S CA 1.610 59.747 58.200 -0.105 0.000 1.062 155 S CB -0.667 62.444 63.200 -0.148 0.000 0.931 155 S HN 0.433 nan 8.310 nan 0.000 0.440 156 F N 0.644 120.256 119.950 -0.563 0.000 2.102 156 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 156 F C 1.829 177.241 175.800 -0.647 0.000 1.105 156 F CA 1.212 58.666 58.000 -0.911 0.000 1.239 156 F CB -0.497 37.735 39.000 -1.279 0.000 0.991 156 F HN 0.244 nan 8.300 nan 0.000 0.474 157 W N -0.083 121.102 121.300 -0.191 0.000 2.476 157 W HA 0.120 4.780 4.660 -0.000 0.000 0.281 157 W C 2.647 179.110 176.519 -0.094 0.000 1.230 157 W CA 0.878 58.112 57.345 -0.185 0.000 1.287 157 W CB -1.100 28.334 29.460 -0.044 0.000 1.108 157 W HN 0.079 nan 8.180 nan 0.000 0.567 158 G N 0.569 109.493 108.800 0.206 0.000 2.422 158 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 158 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 158 G C 1.664 176.750 174.900 0.310 0.000 1.146 158 G CA 1.286 46.536 45.100 0.250 0.000 0.769 158 G HN 0.278 nan 8.290 nan 0.000 0.547 159 A N 0.148 123.124 122.820 0.260 0.000 1.972 159 A HA 0.016 4.336 4.320 -0.000 0.000 0.219 159 A C 2.510 180.159 177.584 0.108 0.000 1.169 159 A CA 2.352 54.592 52.037 0.337 0.000 0.635 159 A CB -0.759 18.271 19.000 0.049 0.000 0.810 159 A HN 0.293 nan 8.150 nan 0.000 0.446 160 T N -0.631 113.845 114.554 -0.129 0.000 2.737 160 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 160 T C 1.888 176.634 174.700 0.076 0.000 1.038 160 T CA 1.566 63.606 62.100 -0.101 0.000 1.144 160 T CB -0.304 68.500 68.868 -0.107 0.000 0.866 160 T HN 0.146 nan 8.240 nan 0.000 0.434 161 V N 0.934 120.913 119.914 0.109 0.000 2.323 161 V HA -0.076 4.044 4.120 -0.000 0.000 0.244 161 V C 2.325 178.451 176.094 0.054 0.000 1.041 161 V CA 1.293 63.648 62.300 0.091 0.000 1.025 161 V CB -0.462 31.410 31.823 0.082 0.000 0.656 161 V HN 0.361 nan 8.190 nan 0.000 0.451 162 I N 0.923 121.498 120.570 0.009 0.000 2.252 162 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 162 I C 2.616 178.821 176.117 0.147 0.000 1.102 162 I CA 2.099 63.328 61.300 -0.119 0.000 1.385 162 I CB -0.750 36.839 38.000 -0.686 0.000 1.064 162 I HN 0.462 nan 8.210 nan 0.000 0.414 163 T N -1.952 112.760 114.554 0.264 0.000 3.007 163 T HA -0.023 4.327 4.350 -0.000 0.000 0.270 163 T C 2.036 176.954 174.700 0.364 0.000 1.107 163 T CA 0.824 63.155 62.100 0.385 0.000 1.118 163 T CB -0.997 68.051 68.868 0.301 0.000 0.889 163 T HN 0.406 nan 8.240 nan 0.000 0.506 164 G N 1.945 110.879 108.800 0.224 0.000 2.408 164 G HA2 -0.018 3.941 3.960 -0.000 0.000 0.217 164 G HA3 -0.018 3.941 3.960 -0.000 0.000 0.217 164 G C 1.429 176.413 174.900 0.139 0.000 1.150 164 G CA 0.412 45.614 45.100 0.170 0.000 0.776 164 G HN 0.533 nan 8.290 nan 0.000 0.542 165 L N -0.628 120.637 121.223 0.071 0.000 2.189 165 L HA -0.067 4.273 4.340 -0.000 0.000 0.214 165 L C 2.422 179.186 176.870 -0.178 0.000 1.097 165 L CA 0.785 55.580 54.840 -0.075 0.000 0.764 165 L CB -0.449 41.487 42.059 -0.206 0.000 0.900 165 L HN 0.148 nan 8.230 nan 0.000 0.436 166 F N -0.385 119.637 119.950 0.120 0.000 2.615 166 F HA 0.065 4.592 4.527 -0.000 0.000 0.297 166 F C 2.386 178.235 175.800 0.082 0.000 1.124 166 F CA 0.733 58.792 58.000 0.099 0.000 1.451 166 F CB -0.654 38.413 39.000 0.110 0.000 1.103 166 F HN -0.027 nan 8.300 nan 0.000 0.569 167 G N -0.400 108.532 108.800 0.220 0.000 2.598 167 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.215 167 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.215 167 G C 1.791 176.731 174.900 0.067 0.000 1.131 167 G CA 0.695 45.892 45.100 0.162 0.000 0.785 167 G HN 0.389 nan 8.290 nan 0.000 0.539 168 A N 0.484 123.332 122.820 0.047 0.000 1.970 168 A HA 0.310 4.630 4.320 -0.000 0.000 0.216 168 A C 1.114 178.565 177.584 -0.222 0.000 1.170 168 A CA -0.073 51.971 52.037 0.012 0.000 0.645 168 A CB -0.172 18.920 19.000 0.154 0.000 0.816 168 A HN 0.302 nan 8.150 nan 0.000 0.447 169 I N 1.593 122.045 120.570 -0.196 0.000 2.741 169 I HA 0.046 4.216 4.170 -0.000 0.000 0.288 169 I C -2.280 173.597 176.117 -0.399 0.000 1.192 169 I CA -1.217 59.851 61.300 -0.388 0.000 1.426 169 I CB 0.262 38.188 38.000 -0.122 0.000 1.367 169 I HN 0.067 nan 8.210 nan 0.000 0.563 170 P HA 0.080 nan 4.420 nan 0.000 0.264 170 P C 0.890 178.082 177.300 -0.179 0.000 1.193 170 P CA 0.879 63.769 63.100 -0.350 0.000 0.763 170 P CB 0.886 32.367 31.700 -0.365 0.000 0.810 171 G N 4.062 112.797 108.800 -0.108 0.000 5.306 171 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.318 171 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.318 171 G C 1.117 175.997 174.900 -0.034 0.000 1.413 171 G CA 0.469 45.532 45.100 -0.061 0.000 0.981 171 G HN 0.587 nan 8.290 nan 0.000 0.788 172 I N 0.357 120.899 120.570 -0.047 0.000 2.286 172 I HA 0.181 4.351 4.170 -0.000 0.000 0.248 172 I C 2.677 178.797 176.117 0.004 0.000 1.115 172 I CA 2.159 63.439 61.300 -0.032 0.000 1.392 172 I CB -1.204 36.764 38.000 -0.054 0.000 1.065 172 I HN 0.739 nan 8.210 nan 0.000 0.418 173 G N 1.104 109.904 108.800 0.000 0.000 2.728 173 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.224 173 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.224 173 G C 1.691 176.680 174.900 0.149 0.000 1.139 173 G CA 1.815 46.950 45.100 0.058 0.000 0.761 173 G HN 0.743 nan 8.290 nan 0.000 0.621 174 H N -0.118 118.967 119.070 0.026 0.000 2.462 174 H HA 0.032 4.588 4.556 -0.000 0.000 0.292 174 H C 2.689 178.055 175.328 0.063 0.000 1.049 174 H CA 0.983 57.060 56.048 0.049 0.000 1.334 174 H CB 0.317 30.097 29.762 0.031 0.000 1.404 174 H HN 0.428 nan 8.280 nan 0.000 0.544 175 S N 0.801 116.501 115.700 0.000 0.000 2.345 175 S HA -0.100 4.370 4.470 -0.000 0.000 0.219 175 S C 2.186 176.791 174.600 0.008 0.000 1.031 175 S CA 0.829 58.990 58.200 -0.065 0.000 0.984 175 S CB -0.043 63.118 63.200 -0.065 0.000 0.874 175 S HN 0.327 nan 8.310 nan 0.000 0.451 176 I N 2.104 122.694 120.570 0.034 0.000 2.248 176 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 176 I C 2.548 178.800 176.117 0.226 0.000 1.107 176 I CA 1.518 62.876 61.300 0.097 0.000 1.373 176 I CB -1.420 36.661 38.000 0.135 0.000 1.055 176 I HN 0.426 nan 8.210 nan 0.000 0.418 177 Q N 0.265 120.188 119.800 0.204 0.000 2.049 177 Q HA -0.156 4.184 4.340 -0.000 0.000 0.198 177 Q C 2.266 178.358 176.000 0.153 0.000 0.971 177 Q CA 2.000 57.932 55.803 0.216 0.000 0.833 177 Q CB 0.074 28.968 28.738 0.260 0.000 0.896 177 Q HN 0.392 nan 8.270 nan 0.000 0.434 178 T N 0.157 114.745 114.554 0.057 0.000 2.684 178 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 178 T C 0.928 175.696 174.700 0.113 0.000 1.036 178 T CA 1.610 63.718 62.100 0.014 0.000 1.148 178 T CB -0.467 68.319 68.868 -0.138 0.000 0.863 178 T HN 0.542 nan 8.240 nan 0.000 0.436 179 W N 1.562 122.827 121.300 -0.057 0.000 2.335 179 W HA -0.116 4.544 4.660 -0.000 0.000 0.311 179 W C 1.848 178.358 176.519 -0.015 0.000 1.213 179 W CA 1.084 58.406 57.345 -0.038 0.000 1.274 179 W CB -0.659 28.773 29.460 -0.046 0.000 1.148 179 W HN 0.185 nan 8.180 nan 0.000 0.498 180 L N 0.109 121.403 121.223 0.119 0.000 2.042 180 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 180 L C 2.438 179.270 176.870 -0.064 0.000 1.076 180 L CA 1.525 56.309 54.840 -0.092 0.000 0.749 180 L CB -1.003 41.081 42.059 0.042 0.000 0.893 180 L HN 0.108 nan 8.230 nan 0.000 0.432 181 L N -0.828 120.392 121.223 -0.005 0.000 2.313 181 L HA 0.037 4.377 4.340 -0.000 0.000 0.214 181 L C 1.696 178.523 176.870 -0.071 0.000 1.119 181 L CA 0.652 55.471 54.840 -0.036 0.000 0.809 181 L CB -0.664 41.403 42.059 0.013 0.000 0.933 181 L HN 0.519 nan 8.230 nan 0.000 0.449 182 G N -0.044 108.713 108.800 -0.072 0.000 2.175 182 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.265 182 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.265 182 G C 0.435 175.316 174.900 -0.031 0.000 0.979 182 G CA 0.264 45.322 45.100 -0.070 0.000 0.663 182 G HN 0.669 nan 8.290 nan 0.000 0.533 183 G N -1.562 107.232 108.800 -0.011 0.000 2.570 183 G HA2 0.726 4.686 3.960 -0.000 0.000 0.310 183 G HA3 0.726 4.686 3.960 -0.000 0.000 0.310 183 G C -2.294 172.623 174.900 0.029 0.000 1.266 183 G CA 0.330 45.434 45.100 0.006 0.000 0.825 183 G HN 0.255 nan 8.290 nan 0.000 0.483 184 P HA 0.435 nan 4.420 nan 0.000 0.257 184 P C 0.050 177.399 177.300 0.081 0.000 1.281 184 P CA 0.902 64.046 63.100 0.074 0.000 0.826 184 P CB 0.835 32.578 31.700 0.071 0.000 1.237 185 A N -1.039 121.817 122.820 0.061 0.000 2.586 185 A HA 0.366 4.686 4.320 -0.000 0.000 0.291 185 A C -1.141 176.461 177.584 0.030 0.000 1.062 185 A CA -0.540 51.533 52.037 0.059 0.000 0.666 185 A CB 0.865 19.917 19.000 0.086 0.000 1.281 185 A HN -0.200 nan 8.150 nan 0.000 0.421 186 V N 2.214 122.112 119.914 -0.026 0.000 2.425 186 V HA 0.317 4.437 4.120 -0.000 0.000 0.276 186 V C 0.161 176.344 176.094 0.149 0.000 1.017 186 V CA 1.395 63.656 62.300 -0.065 0.000 1.062 186 V CB 0.184 31.787 31.823 -0.366 0.000 0.997 186 V HN 0.982 nan 8.190 nan 0.000 0.476 187 D N 3.310 123.793 120.400 0.137 0.000 2.867 187 D HA 0.243 4.883 4.640 -0.000 0.000 0.308 187 D C 1.030 177.335 176.300 0.008 0.000 1.202 187 D CA -0.596 53.506 54.000 0.170 0.000 1.035 187 D CB 1.073 41.909 40.800 0.059 0.000 1.427 187 D HN 0.232 nan 8.370 nan 0.000 0.570 188 N N -0.279 118.329 118.700 -0.152 0.000 2.036 188 N HA -0.189 4.551 4.740 -0.000 0.000 0.195 188 N C 1.597 176.944 175.510 -0.271 0.000 1.037 188 N CA 2.409 55.241 53.050 -0.364 0.000 0.855 188 N CB -0.315 37.904 38.487 -0.446 0.000 1.033 188 N HN 0.374 nan 8.380 nan 0.000 0.423 189 A N -1.071 121.643 122.820 -0.177 0.000 2.042 189 A HA -0.208 4.112 4.320 -0.000 0.000 0.222 189 A C 2.180 179.666 177.584 -0.163 0.000 1.167 189 A CA 2.308 54.262 52.037 -0.139 0.000 0.649 189 A CB -1.103 17.838 19.000 -0.098 0.000 0.809 189 A HN 0.517 nan 8.150 nan 0.000 0.457 190 T N -0.477 113.950 114.554 -0.213 0.000 2.814 190 T HA -0.021 4.329 4.350 -0.000 0.000 0.254 190 T C 1.823 176.242 174.700 -0.468 0.000 1.037 190 T CA 1.037 62.918 62.100 -0.365 0.000 1.143 190 T CB -0.463 68.168 68.868 -0.394 0.000 0.866 190 T HN 0.340 nan 8.240 nan 0.000 0.431 191 L N 2.194 123.192 121.223 -0.376 0.000 2.021 191 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 191 L C 1.938 178.753 176.870 -0.092 0.000 1.074 191 L CA 1.944 56.597 54.840 -0.312 0.000 0.760 191 L CB -1.124 40.512 42.059 -0.705 0.000 0.889 191 L HN 0.292 nan 8.230 nan 0.000 0.433 192 N N -0.669 117.960 118.700 -0.118 0.000 2.025 192 N HA -0.269 4.471 4.740 -0.000 0.000 0.194 192 N C 2.024 177.620 175.510 0.142 0.000 1.044 192 N CA 1.638 54.697 53.050 0.014 0.000 0.851 192 N CB -0.206 38.248 38.487 -0.056 0.000 1.036 192 N HN 0.517 nan 8.380 nan 0.000 0.422 193 R N -0.652 119.897 120.500 0.081 0.000 2.148 193 R HA -0.093 4.247 4.340 -0.000 0.000 0.227 193 R C 1.307 177.782 176.300 0.292 0.000 1.103 193 R CA 1.045 57.224 56.100 0.133 0.000 0.983 193 R CB -0.542 29.787 30.300 0.048 0.000 0.874 193 R HN 0.225 nan 8.270 nan 0.000 0.451 194 F N 0.557 120.530 119.950 0.039 0.000 2.325 194 F HA 0.028 4.555 4.527 -0.000 0.000 0.299 194 F C 1.952 177.822 175.800 0.117 0.000 1.090 194 F CA -0.196 57.825 58.000 0.035 0.000 1.392 194 F CB -0.659 38.336 39.000 -0.009 0.000 1.053 194 F HN -0.047 nan 8.300 nan 0.000 0.521 195 F N 0.150 120.248 119.950 0.247 0.000 2.084 195 F HA -0.161 4.366 4.527 -0.000 0.000 0.296 195 F C 2.733 178.672 175.800 0.232 0.000 1.111 195 F CA 1.712 59.851 58.000 0.232 0.000 1.224 195 F CB -0.975 38.169 39.000 0.239 0.000 0.991 195 F HN -0.105 nan 8.300 nan 0.000 0.471 196 S N 0.211 116.002 115.700 0.151 0.000 2.402 196 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 196 S C 2.062 176.657 174.600 -0.010 0.000 1.030 196 S CA 1.749 59.960 58.200 0.020 0.000 1.003 196 S CB -0.532 62.724 63.200 0.092 0.000 0.813 196 S HN 0.458 nan 8.310 nan 0.000 0.477 197 L N -0.189 121.051 121.223 0.027 0.000 2.209 197 L HA 0.079 4.419 4.340 -0.000 0.000 0.207 197 L C 2.454 179.317 176.870 -0.011 0.000 1.094 197 L CA 1.136 55.976 54.840 -0.000 0.000 0.790 197 L CB -0.571 41.470 42.059 -0.030 0.000 0.932 197 L HN 0.374 nan 8.230 nan 0.000 0.447 198 H N -0.782 118.218 119.070 -0.117 0.000 2.421 198 H HA -0.238 4.318 4.556 -0.000 0.000 0.298 198 H C 1.981 177.197 175.328 -0.186 0.000 1.087 198 H CA 1.688 57.648 56.048 -0.145 0.000 1.330 198 H CB -0.001 29.684 29.762 -0.128 0.000 1.388 198 H HN 0.240 nan 8.280 nan 0.000 0.526 199 Y N -0.020 120.051 120.300 -0.382 0.000 2.130 199 Y HA -0.112 4.438 4.550 0.000 0.000 0.287 199 Y C 2.415 178.149 175.900 -0.277 0.000 1.124 199 Y CA 1.409 59.266 58.100 -0.404 0.000 1.118 199 Y CB -0.948 37.278 38.460 -0.390 0.000 0.994 199 Y HN 0.326 nan 8.280 nan 0.000 0.497 200 L N 0.211 121.514 121.223 0.134 0.000 2.013 200 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 200 L C 2.203 179.098 176.870 0.043 0.000 1.073 200 L CA 1.765 56.694 54.840 0.149 0.000 0.753 200 L CB -1.193 40.914 42.059 0.080 0.000 0.890 200 L HN 0.346 nan 8.230 nan 0.000 0.432 201 L N -0.513 120.677 121.223 -0.055 0.000 2.013 201 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 201 L C 0.027 176.818 176.870 -0.133 0.000 1.073 201 L CA 1.783 56.580 54.840 -0.072 0.000 0.753 201 L CB -1.859 40.161 42.059 -0.065 0.000 0.890 201 L HN 0.282 nan 8.230 nan 0.000 0.432 202 P HA -0.172 nan 4.420 nan 0.000 0.219 202 P C 1.343 178.461 177.300 -0.303 0.000 1.146 202 P CA 1.396 64.293 63.100 -0.338 0.000 0.808 202 P CB -0.005 31.383 31.700 -0.520 0.000 0.779 203 F N -1.276 118.670 119.950 -0.007 0.000 2.206 203 F HA -0.111 4.416 4.527 0.000 0.000 0.298 203 F C 2.277 178.083 175.800 0.009 0.000 1.090 203 F CA 0.796 58.800 58.000 0.007 0.000 1.323 203 F CB -1.626 37.384 39.000 0.017 0.000 1.028 203 F HN -0.251 nan 8.300 nan 0.000 0.492 204 V N 0.373 120.371 119.914 0.139 0.000 2.295 204 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 204 V C 2.410 178.540 176.094 0.060 0.000 1.049 204 V CA 1.577 63.930 62.300 0.089 0.000 1.024 204 V CB -0.658 31.197 31.823 0.053 0.000 0.648 204 V HN 0.257 nan 8.190 nan 0.000 0.447 205 I N 0.637 121.220 120.570 0.022 0.000 2.099 205 I HA -0.309 3.861 4.170 -0.000 0.000 0.239 205 I C 2.805 178.955 176.117 0.055 0.000 1.066 205 I CA 1.757 63.068 61.300 0.018 0.000 1.324 205 I CB -0.792 37.205 38.000 -0.005 0.000 1.037 205 I HN 0.318 nan 8.210 nan 0.000 0.401 206 A N 0.924 123.780 122.820 0.061 0.000 1.903 206 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 206 A C 2.543 180.189 177.584 0.103 0.000 1.191 206 A CA 2.578 54.668 52.037 0.089 0.000 0.638 206 A CB -1.082 17.989 19.000 0.118 0.000 0.823 206 A HN 0.516 nan 8.150 nan 0.000 0.451 207 A N -0.540 122.345 122.820 0.107 0.000 1.883 207 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 207 A C 2.208 179.856 177.584 0.108 0.000 1.186 207 A CA 1.680 53.777 52.037 0.099 0.000 0.624 207 A CB -0.655 18.400 19.000 0.092 0.000 0.822 207 A HN 0.516 nan 8.150 nan 0.000 0.444 208 L N -0.396 120.885 121.223 0.097 0.000 2.083 208 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 208 L C 2.415 179.376 176.870 0.151 0.000 1.083 208 L CA 1.005 55.907 54.840 0.104 0.000 0.752 208 L CB -0.515 41.578 42.059 0.056 0.000 0.899 208 L HN 0.260 nan 8.230 nan 0.000 0.433 209 V N -0.045 119.959 119.914 0.150 0.000 2.720 209 V HA -0.250 3.870 4.120 -0.000 0.000 0.256 209 V C 2.661 178.891 176.094 0.227 0.000 1.082 209 V CA 1.526 63.959 62.300 0.221 0.000 1.101 209 V CB -1.007 30.926 31.823 0.183 0.000 0.693 209 V HN 0.460 nan 8.190 nan 0.000 0.479 210 A N 0.477 123.397 122.820 0.167 0.000 1.855 210 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 210 A C 2.177 179.883 177.584 0.203 0.000 1.191 210 A CA 1.693 53.812 52.037 0.136 0.000 0.613 210 A CB -0.482 18.574 19.000 0.093 0.000 0.829 210 A HN 0.454 nan 8.150 nan 0.000 0.442 211 I N -0.993 119.725 120.570 0.247 0.000 2.264 211 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 211 I C 2.546 178.822 176.117 0.265 0.000 1.111 211 I CA 1.870 63.356 61.300 0.311 0.000 1.382 211 I CB -0.559 37.584 38.000 0.239 0.000 1.060 211 I HN 0.535 nan 8.210 nan 0.000 0.418 212 H N 1.475 120.638 119.070 0.156 0.000 2.319 212 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 212 H C 2.114 177.549 175.328 0.178 0.000 1.092 212 H CA 1.944 58.109 56.048 0.195 0.000 1.302 212 H CB -0.216 29.682 29.762 0.226 0.000 1.373 212 H HN 0.227 nan 8.280 nan 0.000 0.497 213 I N -1.079 119.523 120.570 0.054 0.000 2.142 213 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 213 I C 2.285 178.099 176.117 -0.504 0.000 1.078 213 I CA 1.207 62.226 61.300 -0.467 0.000 1.343 213 I CB -0.492 37.434 38.000 -0.124 0.000 1.046 213 I HN 0.391 nan 8.210 nan 0.000 0.405 214 W N 2.241 123.371 121.300 -0.283 0.000 2.321 214 W HA -0.284 4.376 4.660 -0.000 0.000 0.306 214 W C 2.510 178.947 176.519 -0.136 0.000 1.217 214 W CA 1.786 59.022 57.345 -0.182 0.000 1.257 214 W CB -0.661 28.750 29.460 -0.083 0.000 1.145 214 W HN 0.147 nan 8.180 nan 0.000 0.509 215 A N 0.311 123.086 122.820 -0.075 0.000 1.898 215 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 215 A C 1.976 179.552 177.584 -0.013 0.000 1.181 215 A CA 1.882 53.836 52.037 -0.137 0.000 0.620 215 A CB -1.630 17.357 19.000 -0.022 0.000 0.819 215 A HN 0.537 nan 8.150 nan 0.000 0.442 216 F N -2.291 117.664 119.950 0.010 0.000 2.615 216 F HA 0.148 4.675 4.527 0.000 0.000 0.297 216 F C 1.876 177.658 175.800 -0.030 0.000 1.124 216 F CA 0.870 58.850 58.000 -0.034 0.000 1.451 216 F CB -0.784 38.154 39.000 -0.104 0.000 1.103 216 F HN 0.275 nan 8.300 nan 0.000 0.569 217 H N 0.877 119.753 119.070 -0.324 0.000 2.363 217 H HA 0.003 4.559 4.556 -0.000 0.000 0.301 217 H C 1.548 176.892 175.328 0.027 0.000 1.074 217 H CA 1.695 57.665 56.048 -0.129 0.000 1.354 217 H CB -0.020 29.613 29.762 -0.214 0.000 1.397 217 H HN 0.396 nan 8.280 nan 0.000 0.516 218 S N -0.524 115.265 115.700 0.147 0.000 2.768 218 S HA 0.074 4.544 4.470 -0.000 0.000 0.246 218 S C 1.007 175.639 174.600 0.054 0.000 1.006 218 S CA 0.159 58.429 58.200 0.117 0.000 1.075 218 S CB 0.260 63.528 63.200 0.114 0.000 0.786 218 S HN 0.183 nan 8.310 nan 0.000 0.468 219 T N 0.122 114.711 114.554 0.060 0.000 3.147 219 T HA 0.467 4.817 4.350 -0.000 0.000 0.275 219 T C 0.480 175.206 174.700 0.043 0.000 0.879 219 T CA 0.581 62.708 62.100 0.046 0.000 0.863 219 T CB 0.151 69.050 68.868 0.052 0.000 1.236 219 T HN 1.167 nan 8.240 nan 0.000 0.582 220 G N 2.090 110.917 108.800 0.046 0.000 2.764 220 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.686 220 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.686 220 G C -0.501 174.415 174.900 0.026 0.000 1.258 220 G CA -0.438 44.671 45.100 0.015 0.000 0.846 220 G HN 0.519 nan 8.290 nan 0.000 0.596 221 N N -0.024 118.668 118.700 -0.013 0.000 2.288 221 N HA 0.314 5.054 4.740 -0.000 0.000 0.237 221 N C 0.686 176.197 175.510 0.002 0.000 1.311 221 N CA 0.403 53.439 53.050 -0.024 0.000 0.909 221 N CB 0.358 38.786 38.487 -0.099 0.000 1.167 221 N HN 0.733 nan 8.380 nan 0.000 0.476 222 N N -0.644 118.112 118.700 0.093 0.000 2.370 222 N HA 0.250 4.990 4.740 -0.000 0.000 0.303 222 N C -1.584 173.961 175.510 0.059 0.000 1.103 222 N CA -0.615 52.502 53.050 0.111 0.000 0.848 222 N CB 1.001 39.590 38.487 0.170 0.000 1.235 222 N HN 0.672 nan 8.380 nan 0.000 0.496 223 N N 1.034 119.662 118.700 -0.120 0.000 2.525 223 N HA 0.458 5.198 4.740 -0.000 0.000 0.288 223 N C -2.505 172.823 175.510 -0.303 0.000 1.242 223 N CA -1.608 51.158 53.050 -0.472 0.000 0.905 223 N CB 1.589 39.859 38.487 -0.361 0.000 1.258 223 N HN 0.207 nan 8.380 nan 0.000 0.551 224 P HA 0.013 nan 4.420 nan 0.000 0.239 224 P C 0.193 177.577 177.300 0.141 0.000 1.184 224 P CA 0.897 63.916 63.100 -0.134 0.000 0.760 224 P CB 0.171 31.776 31.700 -0.158 0.000 0.884 225 T N -2.636 111.960 114.554 0.071 0.000 3.039 225 T HA 0.219 4.569 4.350 -0.000 0.000 0.250 225 T C 1.633 176.459 174.700 0.209 0.000 1.052 225 T CA 0.880 63.096 62.100 0.194 0.000 1.125 225 T CB -0.292 68.659 68.868 0.138 0.000 0.908 225 T HN 0.181 nan 8.240 nan 0.000 0.473 226 G N 1.246 110.112 108.800 0.110 0.000 2.205 226 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.261 226 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.261 226 G C 0.254 175.178 174.900 0.039 0.000 0.980 226 G CA 0.181 45.323 45.100 0.069 0.000 0.632 226 G HN 0.535 nan 8.290 nan 0.000 0.533 227 V N 2.087 122.028 119.914 0.046 0.000 2.465 227 V HA 0.462 4.582 4.120 -0.000 0.000 0.279 227 V C 0.677 176.768 176.094 -0.005 0.000 1.045 227 V CA -0.870 61.440 62.300 0.016 0.000 0.938 227 V CB 1.655 33.489 31.823 0.019 0.000 0.986 227 V HN 0.314 nan 8.190 nan 0.000 0.467 228 E N 2.444 122.637 120.200 -0.012 0.000 2.369 228 E HA 0.262 4.612 4.350 -0.000 0.000 0.255 228 E C -0.453 176.138 176.600 -0.016 0.000 1.172 228 E CA -0.385 56.005 56.400 -0.016 0.000 0.932 228 E CB 1.287 30.979 29.700 -0.014 0.000 1.040 228 E HN 0.364 nan 8.360 nan 0.000 0.454 229 V N 2.296 122.199 119.914 -0.018 0.000 2.488 229 V HA 0.083 4.203 4.120 -0.000 0.000 0.277 229 V C 0.859 176.949 176.094 -0.006 0.000 1.046 229 V CA -0.117 62.174 62.300 -0.015 0.000 0.986 229 V CB 0.389 32.201 31.823 -0.018 0.000 0.989 229 V HN 0.437 nan 8.190 nan 0.000 0.475 230 R N 4.868 125.366 120.500 -0.002 0.000 2.480 230 R HA 0.070 4.410 4.340 -0.000 0.000 0.303 230 R C 0.553 176.857 176.300 0.007 0.000 0.985 230 R CA -0.050 56.052 56.100 0.002 0.000 1.051 230 R CB 0.318 30.620 30.300 0.004 0.000 0.935 230 R HN 0.516 nan 8.270 nan 0.000 0.410 231 R N 1.861 122.366 120.500 0.009 0.000 2.480 231 R HA 0.021 4.361 4.340 -0.000 0.000 0.277 231 R C 0.787 177.100 176.300 0.021 0.000 1.008 231 R CA 0.232 56.342 56.100 0.016 0.000 1.090 231 R CB 0.273 30.583 30.300 0.016 0.000 1.234 231 R HN 0.650 nan 8.270 nan 0.000 0.549 232 T N -2.779 111.786 114.554 0.019 0.000 3.069 232 T HA 0.104 4.453 4.350 -0.000 0.000 0.252 232 T C 0.583 175.297 174.700 0.023 0.000 1.053 232 T CA -0.080 62.032 62.100 0.020 0.000 0.964 232 T CB 0.196 69.073 68.868 0.015 0.000 1.005 232 T HN 0.141 nan 8.240 nan 0.000 0.532 233 S N -0.251 115.465 115.700 0.025 0.000 2.604 233 S HA 0.330 4.800 4.470 -0.000 0.000 0.296 233 S C 0.006 174.624 174.600 0.031 0.000 1.097 233 S CA -1.052 57.164 58.200 0.027 0.000 0.883 233 S CB 1.313 64.525 63.200 0.021 0.000 1.081 233 S HN 0.079 nan 8.310 nan 0.000 0.448 234 K N 1.405 121.827 120.400 0.037 0.000 2.362 234 K HA -0.127 4.193 4.320 -0.000 0.000 0.202 234 K C 2.062 178.684 176.600 0.037 0.000 1.045 234 K CA 1.526 57.840 56.287 0.045 0.000 0.936 234 K CB -0.406 32.122 32.500 0.046 0.000 0.747 234 K HN 0.701 nan 8.250 nan 0.000 0.467 235 A N 2.100 124.937 122.820 0.028 0.000 1.874 235 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 235 A C 1.990 179.585 177.584 0.019 0.000 1.189 235 A CA 1.220 53.270 52.037 0.022 0.000 0.615 235 A CB -0.205 18.805 19.000 0.018 0.000 0.830 235 A HN 0.465 nan 8.150 nan 0.000 0.443 236 E N -0.314 119.896 120.200 0.018 0.000 2.385 236 E HA 0.226 4.576 4.350 -0.000 0.000 0.194 236 E C 1.807 178.416 176.600 0.015 0.000 1.013 236 E CA 0.667 57.075 56.400 0.014 0.000 0.866 236 E CB -0.202 29.504 29.700 0.011 0.000 0.832 236 E HN 0.427 nan 8.360 nan 0.000 0.500 237 A N 1.841 124.673 122.820 0.020 0.000 1.897 237 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 237 A C 2.274 179.870 177.584 0.019 0.000 1.181 237 A CA 1.567 53.615 52.037 0.019 0.000 0.620 237 A CB -0.473 18.544 19.000 0.028 0.000 0.821 237 A HN 0.258 nan 8.150 nan 0.000 0.443 238 Q N 0.011 119.826 119.800 0.026 0.000 2.291 238 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 238 Q C 1.696 177.702 176.000 0.009 0.000 0.976 238 Q CA 1.639 57.455 55.803 0.021 0.000 0.875 238 Q CB -0.150 28.605 28.738 0.028 0.000 0.927 238 Q HN 0.455 nan 8.270 nan 0.000 0.450 239 K N 0.280 120.689 120.400 0.014 0.000 2.103 239 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 239 K C 1.238 177.856 176.600 0.030 0.000 1.052 239 K CA 1.309 57.608 56.287 0.022 0.000 0.945 239 K CB 0.013 32.524 32.500 0.018 0.000 0.722 239 K HN 0.383 nan 8.250 nan 0.000 0.443 240 D N 0.310 120.717 120.400 0.012 0.000 2.249 240 D HA -0.051 4.589 4.640 -0.000 0.000 0.205 240 D C 1.367 177.645 176.300 -0.038 0.000 0.962 240 D CA 0.682 54.681 54.000 -0.002 0.000 0.860 240 D CB 0.338 41.133 40.800 -0.008 0.000 0.955 240 D HN 0.329 nan 8.370 nan 0.000 0.505 241 T N -2.257 112.277 114.554 -0.033 0.000 2.864 241 T HA 0.628 4.978 4.350 -0.000 0.000 0.276 241 T C -0.203 174.438 174.700 -0.097 0.000 1.006 241 T CA -0.771 61.302 62.100 -0.044 0.000 0.970 241 T CB 2.106 70.978 68.868 0.006 0.000 1.420 241 T HN -0.166 nan 8.240 nan 0.000 0.601 242 V N 1.102 120.973 119.914 -0.073 0.000 3.036 242 V HA 0.482 4.602 4.120 -0.000 0.000 0.288 242 V C -2.930 173.204 176.094 0.066 0.000 1.407 242 V CA -1.840 60.357 62.300 -0.172 0.000 0.983 242 V CB 2.687 34.208 31.823 -0.503 0.000 1.128 242 V HN 0.874 nan 8.190 nan 0.000 0.439 243 P HA 0.190 nan 4.420 nan 0.000 0.271 243 P C 0.355 177.886 177.300 0.385 0.000 1.216 243 P CA 0.036 63.314 63.100 0.297 0.000 0.776 243 P CB 0.364 32.227 31.700 0.272 0.000 0.881 244 F N 3.863 123.987 119.950 0.291 0.000 2.063 244 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 244 F C 0.544 176.546 175.800 0.335 0.000 1.109 244 F CA 1.026 59.251 58.000 0.376 0.000 1.212 244 F CB -0.540 38.672 39.000 0.355 0.000 0.973 244 F HN 0.319 nan 8.300 nan 0.000 0.480 245 W N 3.781 125.016 121.300 -0.109 0.000 2.351 245 W HA 0.279 4.939 4.660 0.000 0.000 0.311 245 W C -2.287 174.115 176.519 -0.195 0.000 1.168 245 W CA -1.849 55.331 57.345 -0.274 0.000 1.200 245 W CB 1.084 30.427 29.460 -0.195 0.000 1.221 245 W HN 0.010 nan 8.180 nan 0.000 0.519 246 P HA 0.025 nan 4.420 nan 0.000 0.282 246 P C 0.452 177.251 177.300 -0.835 0.000 1.373 246 P CA 0.224 62.440 63.100 -1.474 0.000 1.001 246 P CB 0.202 30.643 31.700 -2.099 0.000 1.489 247 Y N -0.583 119.436 120.300 -0.468 0.000 2.145 247 Y HA -0.116 4.434 4.550 -0.000 0.000 0.286 247 Y C 2.011 177.665 175.900 -0.411 0.000 1.145 247 Y CA 1.710 59.535 58.100 -0.457 0.000 1.148 247 Y CB -1.072 37.059 38.460 -0.549 0.000 0.981 247 Y HN -0.124 nan 8.280 nan 0.000 0.507 248 F N -1.526 118.463 119.950 0.065 0.000 2.530 248 F HA 0.079 4.606 4.527 -0.000 0.000 0.292 248 F C 2.082 177.921 175.800 0.066 0.000 1.109 248 F CA 0.024 58.113 58.000 0.147 0.000 1.450 248 F CB -0.648 38.612 39.000 0.433 0.000 1.114 248 F HN -0.058 nan 8.300 nan 0.000 0.560 249 I N -0.657 119.869 120.570 -0.074 0.000 2.361 249 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 249 I C 2.075 178.265 176.117 0.121 0.000 1.133 249 I CA 1.149 62.444 61.300 -0.009 0.000 1.413 249 I CB -0.322 37.667 38.000 -0.018 0.000 1.073 249 I HN 0.043 nan 8.210 nan 0.000 0.424 250 I N 0.573 121.169 120.570 0.043 0.000 2.353 250 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 250 I C 2.461 178.704 176.117 0.210 0.000 1.119 250 I CA 1.353 62.699 61.300 0.077 0.000 1.417 250 I CB -0.550 37.416 38.000 -0.056 0.000 1.078 250 I HN 0.068 nan 8.210 nan 0.000 0.421 251 K N 0.557 121.109 120.400 0.253 0.000 1.991 251 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 251 K C 1.750 178.617 176.600 0.445 0.000 1.049 251 K CA 2.148 58.693 56.287 0.431 0.000 0.932 251 K CB -0.265 32.521 32.500 0.478 0.000 0.717 251 K HN 0.195 nan 8.250 nan 0.000 0.441 252 D N 0.263 120.883 120.400 0.367 0.000 2.092 252 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 252 D C 1.935 178.327 176.300 0.153 0.000 0.994 252 D CA 1.122 55.276 54.000 0.256 0.000 0.828 252 D CB -0.300 40.679 40.800 0.299 0.000 0.963 252 D HN 0.004 nan 8.370 nan 0.000 0.450 253 V N 0.855 120.877 119.914 0.179 0.000 2.407 253 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 253 V C 2.092 178.258 176.094 0.119 0.000 1.055 253 V CA 1.305 63.681 62.300 0.128 0.000 1.049 253 V CB -0.587 31.327 31.823 0.151 0.000 0.662 253 V HN 0.139 nan 8.190 nan 0.000 0.455 254 F N 1.965 121.945 119.950 0.050 0.000 2.069 254 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 254 F C 2.262 178.032 175.800 -0.050 0.000 1.113 254 F CA 1.419 59.430 58.000 0.018 0.000 1.214 254 F CB -1.001 38.035 39.000 0.059 0.000 0.978 254 F HN 0.079 nan 8.300 nan 0.000 0.474 255 A N 1.034 123.547 122.820 -0.511 0.000 1.851 255 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 255 A C 2.178 179.467 177.584 -0.492 0.000 1.195 255 A CA 1.914 53.525 52.037 -0.710 0.000 0.622 255 A CB -1.591 17.168 19.000 -0.402 0.000 0.831 255 A HN 0.525 nan 8.150 nan 0.000 0.444 256 L N -0.288 120.756 121.223 -0.297 0.000 2.197 256 L HA -0.171 4.169 4.340 -0.000 0.000 0.215 256 L C 2.489 179.207 176.870 -0.254 0.000 1.095 256 L CA 2.174 56.853 54.840 -0.268 0.000 0.764 256 L CB -0.817 41.126 42.059 -0.193 0.000 0.897 256 L HN 0.390 nan 8.230 nan 0.000 0.436 257 A N -1.699 121.000 122.820 -0.201 0.000 1.930 257 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 257 A C 2.166 179.683 177.584 -0.111 0.000 1.176 257 A CA 1.394 53.368 52.037 -0.105 0.000 0.632 257 A CB -0.739 18.261 19.000 0.001 0.000 0.819 257 A HN 0.267 nan 8.150 nan 0.000 0.445 258 V N -0.158 119.607 119.914 -0.249 0.000 2.427 258 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 258 V C 2.515 178.545 176.094 -0.106 0.000 1.051 258 V CA 1.753 63.933 62.300 -0.200 0.000 1.048 258 V CB -0.825 30.773 31.823 -0.376 0.000 0.666 258 V HN 0.346 nan 8.190 nan 0.000 0.456 259 V N 0.054 119.882 119.914 -0.144 0.000 2.261 259 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 259 V C 2.351 178.482 176.094 0.061 0.000 1.047 259 V CA 2.028 64.305 62.300 -0.039 0.000 1.015 259 V CB -0.626 31.146 31.823 -0.085 0.000 0.642 259 V HN 0.426 nan 8.190 nan 0.000 0.446 260 L N -0.462 120.778 121.223 0.028 0.000 2.127 260 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 260 L C 2.468 179.557 176.870 0.365 0.000 1.089 260 L CA 1.110 56.083 54.840 0.221 0.000 0.757 260 L CB -0.664 41.480 42.059 0.140 0.000 0.899 260 L HN 0.379 nan 8.230 nan 0.000 0.434 261 L N -0.246 121.101 121.223 0.206 0.000 1.970 261 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 261 L C 2.386 179.389 176.870 0.221 0.000 1.071 261 L CA 1.912 56.869 54.840 0.195 0.000 0.751 261 L CB -0.676 41.442 42.059 0.099 0.000 0.889 261 L HN -0.063 nan 8.230 nan 0.000 0.432 262 V N -0.340 119.680 119.914 0.176 0.000 2.407 262 V HA -0.276 3.843 4.120 -0.000 0.000 0.248 262 V C 2.381 178.609 176.094 0.225 0.000 1.055 262 V CA 1.908 64.312 62.300 0.173 0.000 1.049 262 V CB -1.086 30.821 31.823 0.139 0.000 0.662 262 V HN 0.567 nan 8.190 nan 0.000 0.455 263 F N 0.778 120.767 119.950 0.066 0.000 2.095 263 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 263 F C 1.998 177.761 175.800 -0.061 0.000 1.104 263 F CA 1.468 59.458 58.000 -0.016 0.000 1.232 263 F CB -0.617 38.321 39.000 -0.104 0.000 0.987 263 F HN 0.159 nan 8.300 nan 0.000 0.475 264 F N 0.327 120.201 119.950 -0.126 0.000 2.259 264 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 264 F C 2.545 178.276 175.800 -0.115 0.000 1.088 264 F CA 1.034 58.888 58.000 -0.242 0.000 1.358 264 F CB -1.249 37.690 39.000 -0.101 0.000 1.040 264 F HN 0.076 nan 8.300 nan 0.000 0.505 265 A N 0.552 123.494 122.820 0.204 0.000 1.883 265 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 265 A C 2.258 179.977 177.584 0.225 0.000 1.186 265 A CA 1.650 53.866 52.037 0.299 0.000 0.624 265 A CB -0.819 18.333 19.000 0.253 0.000 0.822 265 A HN 0.232 nan 8.150 nan 0.000 0.444 266 I N -0.034 120.594 120.570 0.097 0.000 2.142 266 I HA -0.176 3.994 4.170 -0.000 0.000 0.240 266 I C 2.498 178.585 176.117 -0.049 0.000 1.078 266 I CA 1.321 62.656 61.300 0.058 0.000 1.343 266 I CB -1.458 36.604 38.000 0.103 0.000 1.046 266 I HN 0.149 nan 8.210 nan 0.000 0.405 267 V N 1.246 121.032 119.914 -0.213 0.000 2.594 267 V HA -0.167 3.953 4.120 -0.000 0.000 0.253 267 V C 2.506 178.490 176.094 -0.184 0.000 1.069 267 V CA 1.868 64.013 62.300 -0.259 0.000 1.082 267 V CB -1.345 30.170 31.823 -0.513 0.000 0.680 267 V HN 0.547 nan 8.190 nan 0.000 0.469 268 G N -1.069 107.597 108.800 -0.224 0.000 2.437 268 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.212 268 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.212 268 G C 1.271 175.837 174.900 -0.557 0.000 1.174 268 G CA 0.427 45.267 45.100 -0.434 0.000 0.811 268 G HN 0.481 nan 8.290 nan 0.000 0.537 269 F N 0.441 120.388 119.950 -0.004 0.000 2.505 269 F HA 0.362 4.889 4.527 -0.000 0.000 0.289 269 F C 1.815 177.593 175.800 -0.036 0.000 1.101 269 F CA 0.316 58.307 58.000 -0.015 0.000 1.446 269 F CB 0.148 39.142 39.000 -0.010 0.000 1.123 269 F HN 0.053 nan 8.300 nan 0.000 0.564 270 M N -0.176 119.483 119.600 0.097 0.000 3.402 270 M HA 0.399 4.879 4.480 -0.000 0.000 0.372 270 M C -2.346 173.962 176.300 0.015 0.000 1.610 270 M CA -1.317 54.017 55.300 0.058 0.000 0.650 270 M CB 0.703 33.335 32.600 0.053 0.000 1.421 270 M HN -0.268 nan 8.290 nan 0.000 0.493 271 P HA -0.151 nan 4.420 nan 0.000 0.218 271 P C 0.325 177.541 177.300 -0.140 0.000 1.146 271 P CA 1.496 64.397 63.100 -0.332 0.000 0.813 271 P CB 0.001 31.045 31.700 -1.093 0.000 0.778 272 N N -1.769 116.914 118.700 -0.028 0.000 2.336 272 N HA -0.037 4.702 4.740 -0.000 0.000 0.189 272 N C 1.489 177.114 175.510 0.192 0.000 1.113 272 N CA -0.091 53.049 53.050 0.149 0.000 0.858 272 N CB -0.524 38.098 38.487 0.225 0.000 0.970 272 N HN 0.170 nan 8.380 nan 0.000 0.471 273 Y N 1.855 122.192 120.300 0.063 0.000 2.089 273 Y HA -0.044 4.505 4.550 -0.000 0.000 0.282 273 Y C 1.735 177.679 175.900 0.073 0.000 1.139 273 Y CA 1.452 59.587 58.100 0.057 0.000 1.123 273 Y CB -0.389 38.094 38.460 0.039 0.000 0.980 273 Y HN -0.043 nan 8.280 nan 0.000 0.493 274 L N 0.528 121.776 121.223 0.043 0.000 2.711 274 L HA 0.105 4.445 4.340 -0.000 0.000 0.242 274 L C 0.962 177.896 176.870 0.106 0.000 1.153 274 L CA 0.285 55.137 54.840 0.020 0.000 0.898 274 L CB -1.236 40.975 42.059 0.254 0.000 1.044 274 L HN 0.295 nan 8.230 nan 0.000 0.437 275 G N -2.406 106.437 108.800 0.071 0.000 2.816 275 G HA2 0.319 4.279 3.960 -0.000 0.000 0.288 275 G HA3 0.319 4.279 3.960 -0.000 0.000 0.288 275 G C -1.538 173.417 174.900 0.093 0.000 1.334 275 G CA -0.410 44.761 45.100 0.119 0.000 0.978 275 G HN -0.016 nan 8.290 nan 0.000 0.493 276 H N 0.585 119.697 119.070 0.070 0.000 2.556 276 H HA 0.343 4.899 4.556 -0.000 0.000 0.310 276 H C -1.624 173.747 175.328 0.072 0.000 1.057 276 H CA -1.930 54.157 56.048 0.066 0.000 1.264 276 H CB 2.180 31.994 29.762 0.086 0.000 1.404 276 H HN 0.053 nan 8.280 nan 0.000 0.462 277 P HA -0.148 nan 4.420 nan 0.000 0.218 277 P C 0.807 178.332 177.300 0.374 0.000 1.146 277 P CA 1.106 64.412 63.100 0.343 0.000 0.820 277 P CB 0.433 32.279 31.700 0.244 0.000 0.778 278 D N -1.910 118.768 120.400 0.462 0.000 2.378 278 D HA -0.068 4.572 4.640 -0.000 0.000 0.227 278 D C 1.119 177.486 176.300 0.110 0.000 1.012 278 D CA 0.679 54.817 54.000 0.231 0.000 0.905 278 D CB -0.602 40.252 40.800 0.090 0.000 0.895 278 D HN 0.113 nan 8.370 nan 0.000 0.532 279 N N -0.557 118.193 118.700 0.083 0.000 2.268 279 N HA -0.049 4.691 4.740 -0.000 0.000 0.204 279 N C -0.095 175.463 175.510 0.080 0.000 1.124 279 N CA 0.085 53.126 53.050 -0.015 0.000 0.838 279 N CB 0.024 38.434 38.487 -0.128 0.000 0.994 279 N HN 0.069 nan 8.380 nan 0.000 0.489 280 Y N -0.374 120.070 120.300 0.240 0.000 2.555 280 Y HA 0.384 4.934 4.550 -0.000 0.000 0.259 280 Y C -0.034 176.020 175.900 0.256 0.000 1.179 280 Y CA -0.467 57.840 58.100 0.344 0.000 1.230 280 Y CB 0.452 39.069 38.460 0.262 0.000 1.146 280 Y HN -0.034 nan 8.280 nan 0.000 0.526 281 I N 0.839 121.525 120.570 0.193 0.000 2.404 281 I HA 0.198 4.368 4.170 -0.000 0.000 0.293 281 I C 0.100 176.028 176.117 -0.315 0.000 0.992 281 I CA -1.045 60.249 61.300 -0.009 0.000 1.149 281 I CB 1.522 39.540 38.000 0.030 0.000 1.315 281 I HN 0.102 nan 8.210 nan 0.000 0.446 282 E N 3.458 123.335 120.200 -0.540 0.000 2.392 282 E HA 0.264 4.614 4.350 -0.000 0.000 0.264 282 E C 0.255 176.600 176.600 -0.425 0.000 1.024 282 E CA -0.360 55.590 56.400 -0.750 0.000 0.903 282 E CB 0.782 30.146 29.700 -0.561 0.000 0.963 282 E HN 0.699 nan 8.360 nan 0.000 0.432 283 A N 3.883 126.424 122.820 -0.466 0.000 2.584 283 A HA -0.069 4.251 4.320 -0.000 0.000 0.239 283 A C 0.111 177.371 177.584 -0.541 0.000 1.043 283 A CA 0.179 51.869 52.037 -0.578 0.000 0.756 283 A CB -0.002 18.370 19.000 -1.048 0.000 0.963 283 A HN 0.526 nan 8.150 nan 0.000 0.511 284 N N 3.007 121.424 118.700 -0.470 0.000 2.524 284 N HA 0.391 5.131 4.740 -0.000 0.000 0.261 284 N C -2.494 172.765 175.510 -0.418 0.000 0.998 284 N CA -1.953 50.910 53.050 -0.312 0.000 0.915 284 N CB 1.971 40.429 38.487 -0.048 0.000 1.187 284 N HN 0.139 nan 8.380 nan 0.000 0.507 285 P HA 0.111 nan 4.420 nan 0.000 0.233 285 P C 0.633 178.007 177.300 0.122 0.000 1.167 285 P CA 0.791 63.578 63.100 -0.521 0.000 0.770 285 P CB 0.428 31.854 31.700 -0.458 0.000 0.837 286 L N -1.548 119.751 121.223 0.127 0.000 2.818 286 L HA 0.314 4.654 4.340 -0.000 0.000 0.243 286 L C 0.640 177.617 176.870 0.178 0.000 1.185 286 L CA -0.021 54.920 54.840 0.168 0.000 0.988 286 L CB 0.183 42.281 42.059 0.065 0.000 1.292 286 L HN -0.110 nan 8.230 nan 0.000 0.519 287 R N -0.251 120.434 120.500 0.309 0.000 2.560 287 R HA 0.292 4.632 4.340 -0.000 0.000 0.267 287 R C -1.256 175.027 176.300 -0.028 0.000 1.150 287 R CA -0.226 55.934 56.100 0.099 0.000 0.997 287 R CB 1.866 32.203 30.300 0.062 0.000 1.250 287 R HN -0.167 nan 8.270 nan 0.000 0.433 288 T N 5.738 120.019 114.554 -0.456 0.000 2.743 288 T HA 0.329 4.679 4.350 -0.000 0.000 0.292 288 T C -2.442 172.014 174.700 -0.408 0.000 0.972 288 T CA -1.306 60.267 62.100 -0.880 0.000 0.967 288 T CB 1.425 69.628 68.868 -1.108 0.000 0.926 288 T HN 0.365 nan 8.240 nan 0.000 0.459 289 P HA 0.093 nan 4.420 nan 0.000 0.263 289 P C 0.556 177.736 177.300 -0.200 0.000 1.175 289 P CA -0.076 62.934 63.100 -0.150 0.000 0.761 289 P CB 0.438 32.101 31.700 -0.062 0.000 0.794 290 A N 3.333 126.001 122.820 -0.253 0.000 2.019 290 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 290 A C 1.102 178.500 177.584 -0.310 0.000 1.164 290 A CA 1.377 53.211 52.037 -0.337 0.000 0.644 290 A CB -0.806 17.907 19.000 -0.477 0.000 0.805 290 A HN 0.613 nan 8.150 nan 0.000 0.449 291 H N -1.195 117.887 119.070 0.020 0.000 2.487 291 H HA 0.274 4.830 4.556 -0.000 0.000 0.290 291 H C 0.195 175.596 175.328 0.121 0.000 1.081 291 H CA -0.945 55.144 56.048 0.068 0.000 1.116 291 H CB -0.532 29.293 29.762 0.104 0.000 1.560 291 H HN 0.502 nan 8.280 nan 0.000 0.548 292 I N 2.078 122.690 120.570 0.070 0.000 2.828 292 I HA -0.063 4.107 4.170 -0.000 0.000 0.292 292 I C -0.683 175.449 176.117 0.024 0.000 1.206 292 I CA 0.504 61.790 61.300 -0.023 0.000 1.420 292 I CB 0.009 37.955 38.000 -0.089 0.000 1.368 292 I HN -0.193 nan 8.210 nan 0.000 0.556 293 V N 7.572 127.505 119.914 0.033 0.000 2.925 293 V HA 0.486 4.606 4.120 -0.000 0.000 0.311 293 V C -2.221 173.775 176.094 -0.163 0.000 1.104 293 V CA -1.339 60.926 62.300 -0.058 0.000 0.954 293 V CB 1.784 33.638 31.823 0.052 0.000 1.022 293 V HN 0.670 nan 8.190 nan 0.000 0.427 294 P HA 0.324 nan 4.420 nan 0.000 0.275 294 P C -0.821 176.257 177.300 -0.370 0.000 1.266 294 P CA -0.559 62.308 63.100 -0.388 0.000 0.793 294 P CB 0.470 31.850 31.700 -0.533 0.000 1.074 295 E N 0.751 120.608 120.200 -0.572 0.000 2.384 295 E HA -0.056 4.294 4.350 -0.000 0.000 0.266 295 E C 1.097 177.162 176.600 -0.891 0.000 1.012 295 E CA 0.002 55.837 56.400 -0.943 0.000 0.901 295 E CB -0.108 28.555 29.700 -1.727 0.000 0.967 295 E HN 0.527 nan 8.360 nan 0.000 0.435 296 W N 4.720 125.663 121.300 -0.596 0.000 2.290 296 W HA -0.381 4.279 4.660 -0.000 0.000 0.318 296 W C 1.116 177.446 176.519 -0.314 0.000 1.248 296 W CA 1.581 58.705 57.345 -0.367 0.000 1.263 296 W CB -1.133 28.207 29.460 -0.201 0.000 1.147 296 W HN 0.770 nan 8.180 nan 0.000 0.494 297 Y N -1.886 117.521 120.300 -1.489 0.000 2.651 297 Y HA -0.034 4.516 4.550 -0.000 0.000 0.293 297 Y C 1.668 177.321 175.900 -0.412 0.000 1.151 297 Y CA 0.561 57.921 58.100 -1.234 0.000 1.362 297 Y CB -1.868 35.440 38.460 -1.919 0.000 0.973 297 Y HN -0.172 nan 8.280 nan 0.000 0.561 298 F N -0.415 119.257 119.950 -0.463 0.000 2.717 298 F HA 0.222 4.749 4.527 -0.000 0.000 0.295 298 F C 1.888 177.603 175.800 -0.141 0.000 1.117 298 F CA -1.001 56.868 58.000 -0.218 0.000 1.361 298 F CB -0.657 38.148 39.000 -0.325 0.000 1.112 298 F HN 0.112 nan 8.300 nan 0.000 0.594 299 L N 1.467 122.676 121.223 -0.024 0.000 1.978 299 L HA -0.240 4.100 4.340 -0.000 0.000 0.218 299 L C -0.008 176.816 176.870 -0.076 0.000 1.075 299 L CA 2.077 56.899 54.840 -0.030 0.000 0.767 299 L CB -2.103 39.917 42.059 -0.064 0.000 0.890 299 L HN 0.033 nan 8.230 nan 0.000 0.434 300 P HA -0.236 nan 4.420 nan 0.000 0.214 300 P C 1.573 178.530 177.300 -0.570 0.000 1.163 300 P CA 1.934 64.676 63.100 -0.596 0.000 0.889 300 P CB -0.254 30.775 31.700 -1.119 0.000 0.790 301 F N -2.049 117.772 119.950 -0.214 0.000 2.451 301 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 301 F C 2.659 178.364 175.800 -0.159 0.000 1.101 301 F CA 0.714 58.579 58.000 -0.226 0.000 1.436 301 F CB -1.402 37.452 39.000 -0.242 0.000 1.074 301 F HN -0.066 nan 8.300 nan 0.000 0.553 302 Y N 0.750 120.978 120.300 -0.119 0.000 2.286 302 Y HA 0.040 4.590 4.550 -0.000 0.000 0.293 302 Y C 2.256 178.062 175.900 -0.157 0.000 1.124 302 Y CA 0.708 58.724 58.100 -0.139 0.000 1.178 302 Y CB -0.676 37.708 38.460 -0.127 0.000 1.010 302 Y HN -0.045 nan 8.280 nan 0.000 0.536 303 A N 1.221 123.906 122.820 -0.226 0.000 1.851 303 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 303 A C 2.298 179.681 177.584 -0.335 0.000 1.195 303 A CA 2.247 54.067 52.037 -0.362 0.000 0.622 303 A CB -1.289 17.556 19.000 -0.259 0.000 0.831 303 A HN 0.564 nan 8.150 nan 0.000 0.444 304 I N -0.529 119.899 120.570 -0.238 0.000 2.248 304 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 304 I C 2.523 178.617 176.117 -0.039 0.000 1.107 304 I CA 1.691 62.920 61.300 -0.117 0.000 1.373 304 I CB -0.282 37.698 38.000 -0.034 0.000 1.055 304 I HN 0.478 nan 8.210 nan 0.000 0.418 305 L N 1.479 122.653 121.223 -0.081 0.000 2.156 305 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 305 L C 2.485 179.297 176.870 -0.097 0.000 1.095 305 L CA 1.265 56.091 54.840 -0.022 0.000 0.770 305 L CB -0.212 41.806 42.059 -0.069 0.000 0.914 305 L HN 0.229 nan 8.230 nan 0.000 0.439 306 R N -1.010 119.308 120.500 -0.303 0.000 2.388 306 R HA 0.303 4.643 4.340 -0.000 0.000 0.247 306 R C 1.422 177.516 176.300 -0.344 0.000 0.931 306 R CA 0.590 56.496 56.100 -0.323 0.000 1.082 306 R CB -0.085 29.931 30.300 -0.474 0.000 1.135 306 R HN 0.238 nan 8.270 nan 0.000 0.525 307 A N 1.365 123.916 122.820 -0.448 0.000 1.878 307 A HA 0.133 4.453 4.320 -0.000 0.000 0.213 307 A C 0.260 177.466 177.584 -0.631 0.000 1.192 307 A CA 0.220 51.873 52.037 -0.639 0.000 0.619 307 A CB -0.230 18.206 19.000 -0.940 0.000 0.837 307 A HN 0.280 nan 8.150 nan 0.000 0.446 308 F N 2.418 122.308 119.950 -0.101 0.000 2.541 308 F HA 0.311 4.838 4.527 -0.000 0.000 0.347 308 F C 1.192 176.924 175.800 -0.114 0.000 1.242 308 F CA 0.119 58.056 58.000 -0.106 0.000 1.123 308 F CB -0.445 38.600 39.000 0.075 0.000 1.354 308 F HN 0.160 nan 8.300 nan 0.000 0.621 309 T N -1.418 113.106 114.554 -0.050 0.000 2.948 309 T HA 0.640 4.990 4.350 -0.000 0.000 0.285 309 T C 1.344 176.015 174.700 -0.049 0.000 1.019 309 T CA -0.425 61.645 62.100 -0.051 0.000 1.013 309 T CB 1.738 70.551 68.868 -0.091 0.000 1.117 309 T HN 0.435 nan 8.240 nan 0.000 0.533 310 A N 0.952 123.756 122.820 -0.027 0.000 2.054 310 A HA -0.132 4.188 4.320 -0.000 0.000 0.223 310 A C 1.446 179.020 177.584 -0.016 0.000 1.169 310 A CA 1.927 53.954 52.037 -0.016 0.000 0.655 310 A CB -1.009 17.992 19.000 0.001 0.000 0.812 310 A HN 0.960 nan 8.150 nan 0.000 0.462 311 D N -0.785 119.602 120.400 -0.022 0.000 2.895 311 D HA 0.315 4.955 4.640 -0.000 0.000 0.258 311 D C -0.548 175.750 176.300 -0.004 0.000 1.311 311 D CA -0.207 53.801 54.000 0.014 0.000 0.843 311 D CB 0.138 40.953 40.800 0.025 0.000 1.055 311 D HN 0.094 nan 8.370 nan 0.000 0.486 312 V N 1.331 121.215 119.914 -0.049 0.000 2.435 312 V HA 0.047 4.167 4.120 -0.000 0.000 0.290 312 V C 0.787 176.910 176.094 0.047 0.000 1.030 312 V CA -0.854 61.377 62.300 -0.115 0.000 0.881 312 V CB 1.684 33.422 31.823 -0.142 0.000 0.983 312 V HN 0.226 nan 8.190 nan 0.000 0.445 313 W N 3.228 124.479 121.300 -0.082 0.000 2.304 313 W HA -0.170 4.490 4.660 -0.000 0.000 0.315 313 W C 2.007 178.467 176.519 -0.099 0.000 1.233 313 W CA 1.534 58.839 57.345 -0.067 0.000 1.261 313 W CB -1.324 28.121 29.460 -0.024 0.000 1.150 313 W HN 0.494 nan 8.180 nan 0.000 0.494 314 V N 0.045 120.021 119.914 0.104 0.000 2.392 314 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 314 V C 2.127 178.077 176.094 -0.239 0.000 1.059 314 V CA 1.786 64.069 62.300 -0.028 0.000 1.051 314 V CB -1.643 30.160 31.823 -0.034 0.000 0.658 314 V HN 0.036 nan 8.190 nan 0.000 0.455 315 V N -0.209 119.459 119.914 -0.411 0.000 2.427 315 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 315 V C 2.521 178.492 176.094 -0.205 0.000 1.051 315 V CA 1.903 63.848 62.300 -0.592 0.000 1.048 315 V CB -0.677 30.845 31.823 -0.502 0.000 0.666 315 V HN 0.586 nan 8.190 nan 0.000 0.456 316 Q N -0.315 119.441 119.800 -0.073 0.000 1.990 316 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 316 Q C 2.320 178.343 176.000 0.039 0.000 0.980 316 Q CA 1.807 57.614 55.803 0.007 0.000 0.832 316 Q CB -0.292 28.466 28.738 0.032 0.000 0.897 316 Q HN 0.516 nan 8.270 nan 0.000 0.427 317 I N 1.369 121.953 120.570 0.023 0.000 2.068 317 I HA -0.382 3.788 4.170 -0.000 0.000 0.238 317 I C 2.540 178.721 176.117 0.107 0.000 1.046 317 I CA 1.546 62.872 61.300 0.044 0.000 1.306 317 I CB -0.557 37.462 38.000 0.032 0.000 1.023 317 I HN 0.209 nan 8.210 nan 0.000 0.399 318 A N 0.105 122.961 122.820 0.060 0.000 1.948 318 A HA -0.325 3.995 4.320 -0.000 0.000 0.220 318 A C 2.125 179.763 177.584 0.090 0.000 1.177 318 A CA 2.485 54.575 52.037 0.088 0.000 0.636 318 A CB -1.277 17.802 19.000 0.132 0.000 0.815 318 A HN 0.652 nan 8.150 nan 0.000 0.449 319 N N -1.908 116.833 118.700 0.068 0.000 2.120 319 N HA -0.179 4.561 4.740 -0.000 0.000 0.188 319 N C 1.689 177.234 175.510 0.059 0.000 1.024 319 N CA 1.451 54.545 53.050 0.072 0.000 0.852 319 N CB -0.237 38.284 38.487 0.057 0.000 1.003 319 N HN 0.458 nan 8.380 nan 0.000 0.424 320 F N 2.077 121.989 119.950 -0.063 0.000 2.031 320 F HA -0.087 4.440 4.527 -0.000 0.000 0.295 320 F C 2.088 177.758 175.800 -0.216 0.000 1.133 320 F CA 1.430 59.356 58.000 -0.123 0.000 1.188 320 F CB -0.494 38.438 39.000 -0.112 0.000 0.974 320 F HN 0.002 nan 8.300 nan 0.000 0.473 321 I N 0.391 120.917 120.570 -0.074 0.000 2.381 321 I HA -0.304 3.866 4.170 -0.000 0.000 0.255 321 I C 1.799 177.751 176.117 -0.274 0.000 1.140 321 I CA 1.652 62.832 61.300 -0.199 0.000 1.404 321 I CB -0.921 37.096 38.000 0.028 0.000 1.075 321 I HN 0.340 nan 8.210 nan 0.000 0.433 322 S N -0.205 115.417 115.700 -0.131 0.000 2.618 322 S HA 0.141 4.611 4.470 -0.000 0.000 0.242 322 S C 0.729 175.407 174.600 0.131 0.000 0.972 322 S CA -0.591 57.638 58.200 0.048 0.000 1.004 322 S CB -0.905 62.358 63.200 0.105 0.000 0.778 322 S HN 0.394 nan 8.310 nan 0.000 0.459 323 F N 1.109 120.966 119.950 -0.154 0.000 3.109 323 F HA -0.265 4.262 4.527 -0.000 0.000 0.278 323 F C 1.718 177.475 175.800 -0.072 0.000 0.890 323 F CA 1.031 58.942 58.000 -0.149 0.000 0.972 323 F CB -1.849 37.082 39.000 -0.115 0.000 1.070 323 F HN 0.641 nan 8.300 nan 0.000 0.578 324 G N -1.013 107.837 108.800 0.083 0.000 2.313 324 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.215 324 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.215 324 G C 1.013 175.977 174.900 0.106 0.000 1.023 324 G CA -0.009 45.143 45.100 0.086 0.000 0.626 324 G HN 0.426 nan 8.290 nan 0.000 0.503 325 I N 1.382 122.027 120.570 0.125 0.000 2.113 325 I HA -0.127 4.043 4.170 -0.000 0.000 0.242 325 I C 1.515 177.751 176.117 0.199 0.000 1.064 325 I CA 1.541 62.915 61.300 0.122 0.000 1.320 325 I CB -0.203 37.869 38.000 0.120 0.000 1.028 325 I HN 0.208 nan 8.210 nan 0.000 0.406 326 I N 1.971 122.683 120.570 0.236 0.000 2.227 326 I HA 0.018 4.188 4.170 -0.000 0.000 0.297 326 I C 0.053 176.317 176.117 0.245 0.000 1.173 326 I CA -0.568 60.924 61.300 0.320 0.000 1.356 326 I CB -0.657 37.481 38.000 0.230 0.000 1.485 326 I HN 0.278 nan 8.210 nan 0.000 0.604 327 D N 3.855 124.397 120.400 0.237 0.000 2.469 327 D HA 0.310 4.950 4.640 -0.000 0.000 0.278 327 D C 1.439 177.842 176.300 0.172 0.000 1.231 327 D CA -0.322 53.773 54.000 0.158 0.000 1.075 327 D CB 0.747 41.619 40.800 0.119 0.000 1.121 327 D HN 0.227 nan 8.370 nan 0.000 0.571 328 A N -0.572 122.308 122.820 0.101 0.000 1.883 328 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 328 A C 2.012 179.701 177.584 0.174 0.000 1.186 328 A CA 2.351 54.443 52.037 0.092 0.000 0.624 328 A CB -1.076 17.949 19.000 0.042 0.000 0.822 328 A HN 0.665 nan 8.150 nan 0.000 0.444 329 K N -1.539 118.954 120.400 0.156 0.000 1.987 329 K HA -0.217 4.103 4.320 -0.000 0.000 0.216 329 K C 1.799 178.538 176.600 0.231 0.000 1.051 329 K CA 2.053 58.438 56.287 0.162 0.000 0.942 329 K CB -0.446 32.134 32.500 0.133 0.000 0.722 329 K HN 0.366 nan 8.250 nan 0.000 0.444 330 F N 0.962 120.962 119.950 0.083 0.000 2.451 330 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 330 F C 1.617 177.452 175.800 0.058 0.000 1.101 330 F CA 0.447 58.481 58.000 0.057 0.000 1.436 330 F CB -0.353 38.673 39.000 0.043 0.000 1.074 330 F HN 0.128 nan 8.300 nan 0.000 0.553 331 F N 0.363 120.241 119.950 -0.120 0.000 2.149 331 F HA 0.115 4.642 4.527 -0.000 0.000 0.294 331 F C 2.455 178.116 175.800 -0.231 0.000 1.095 331 F CA 1.686 59.518 58.000 -0.279 0.000 1.276 331 F CB -1.002 37.881 39.000 -0.194 0.000 1.023 331 F HN -0.070 nan 8.300 nan 0.000 0.480 332 G N 0.116 109.038 108.800 0.203 0.000 2.440 332 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 332 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 332 G C 1.753 176.660 174.900 0.013 0.000 1.154 332 G CA 1.278 46.495 45.100 0.195 0.000 0.767 332 G HN 0.331 nan 8.290 nan 0.000 0.552 333 V N 1.037 120.948 119.914 -0.006 0.000 2.233 333 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 333 V C 2.939 179.003 176.094 -0.050 0.000 1.050 333 V CA 1.808 64.114 62.300 0.010 0.000 1.010 333 V CB -0.612 31.308 31.823 0.161 0.000 0.637 333 V HN 0.360 nan 8.190 nan 0.000 0.444 334 L N 0.060 121.100 121.223 -0.305 0.000 2.081 334 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 334 L C 2.646 179.346 176.870 -0.283 0.000 1.080 334 L CA 1.627 56.236 54.840 -0.385 0.000 0.754 334 L CB -0.765 40.835 42.059 -0.766 0.000 0.893 334 L HN 0.394 nan 8.230 nan 0.000 0.433 335 A N -0.564 122.042 122.820 -0.358 0.000 1.930 335 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 335 A C 2.310 179.997 177.584 0.171 0.000 1.175 335 A CA 1.788 53.723 52.037 -0.170 0.000 0.627 335 A CB -0.403 18.470 19.000 -0.212 0.000 0.815 335 A HN 0.454 nan 8.150 nan 0.000 0.443 336 M N -1.923 117.698 119.600 0.036 0.000 2.134 336 M HA 0.002 4.482 4.480 -0.000 0.000 0.262 336 M C 1.782 178.036 176.300 -0.076 0.000 1.076 336 M CA 1.758 57.044 55.300 -0.025 0.000 1.143 336 M CB -0.186 32.279 32.600 -0.226 0.000 1.346 336 M HN 0.286 nan 8.290 nan 0.000 0.421 337 F N 0.658 120.584 119.950 -0.041 0.000 2.171 337 F HA -0.017 4.510 4.527 -0.000 0.000 0.300 337 F C 2.519 178.314 175.800 -0.009 0.000 1.090 337 F CA 1.659 59.613 58.000 -0.077 0.000 1.293 337 F CB -1.317 37.614 39.000 -0.116 0.000 1.013 337 F HN 0.301 nan 8.300 nan 0.000 0.486 338 G N -0.738 108.186 108.800 0.207 0.000 2.443 338 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 338 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 338 G C 1.884 176.945 174.900 0.268 0.000 1.131 338 G CA 0.710 45.946 45.100 0.226 0.000 0.775 338 G HN 0.449 nan 8.290 nan 0.000 0.547 339 A N 0.590 123.549 122.820 0.232 0.000 1.972 339 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 339 A C 2.338 180.058 177.584 0.226 0.000 1.169 339 A CA 1.172 53.241 52.037 0.053 0.000 0.635 339 A CB -0.236 18.721 19.000 -0.072 0.000 0.810 339 A HN 0.399 nan 8.150 nan 0.000 0.446 340 I N -1.032 119.650 120.570 0.187 0.000 2.235 340 I HA -0.124 4.046 4.170 -0.000 0.000 0.241 340 I C 2.349 178.515 176.117 0.081 0.000 1.085 340 I CA 0.914 62.302 61.300 0.147 0.000 1.378 340 I CB -0.346 37.665 38.000 0.019 0.000 1.076 340 I HN 0.388 nan 8.210 nan 0.000 0.415 341 L N 0.649 121.923 121.223 0.085 0.000 2.043 341 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 341 L C 2.371 179.255 176.870 0.024 0.000 1.075 341 L CA 1.728 56.604 54.840 0.059 0.000 0.752 341 L CB -0.602 41.495 42.059 0.064 0.000 0.891 341 L HN 0.010 nan 8.230 nan 0.000 0.432 342 V N -0.209 119.697 119.914 -0.013 0.000 2.287 342 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 342 V C 2.628 178.502 176.094 -0.367 0.000 1.053 342 V CA 2.371 64.595 62.300 -0.126 0.000 1.027 342 V CB -0.291 31.438 31.823 -0.156 0.000 0.646 342 V HN 0.696 nan 8.190 nan 0.000 0.447 343 M N -0.618 118.680 119.600 -0.504 0.000 2.374 343 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 343 M C 1.843 178.176 176.300 0.056 0.000 1.067 343 M CA 1.805 56.785 55.300 -0.533 0.000 1.103 343 M CB -0.171 32.266 32.600 -0.272 0.000 1.402 343 M HN 0.348 nan 8.290 nan 0.000 0.444 344 A N -0.047 122.843 122.820 0.116 0.000 2.067 344 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 344 A C 1.676 179.538 177.584 0.464 0.000 1.156 344 A CA 0.733 52.946 52.037 0.293 0.000 0.683 344 A CB -0.467 18.617 19.000 0.140 0.000 0.808 344 A HN 0.574 nan 8.150 nan 0.000 0.455 345 L N -0.348 121.060 121.223 0.309 0.000 2.607 345 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 345 L C 1.724 178.813 176.870 0.365 0.000 1.123 345 L CA -0.206 54.898 54.840 0.440 0.000 0.890 345 L CB 0.166 42.362 42.059 0.228 0.000 1.103 345 L HN 0.134 nan 8.230 nan 0.000 0.468 346 V N 0.592 120.572 119.914 0.112 0.000 2.370 346 V HA -0.216 3.904 4.120 -0.000 0.000 0.252 346 V C -0.196 175.742 176.094 -0.260 0.000 1.068 346 V CA 1.969 64.173 62.300 -0.161 0.000 1.061 346 V CB -1.476 29.985 31.823 -0.602 0.000 0.656 346 V HN 0.387 nan 8.190 nan 0.000 0.455 347 P HA -0.157 nan 4.420 nan 0.000 0.220 347 P C 1.005 177.967 177.300 -0.564 0.000 1.144 347 P CA 1.472 64.243 63.100 -0.548 0.000 0.800 347 P CB -0.064 30.943 31.700 -1.155 0.000 0.772 348 W N -2.018 119.290 121.300 0.013 0.000 2.966 348 W HA 0.372 5.032 4.660 -0.000 0.000 0.406 348 W C 0.845 177.365 176.519 0.002 0.000 1.027 348 W CA -0.025 57.329 57.345 0.015 0.000 1.930 348 W CB 0.231 29.705 29.460 0.023 0.000 1.144 348 W HN 0.011 nan 8.180 nan 0.000 0.626 349 L N -0.985 120.319 121.223 0.135 0.000 2.730 349 L HA 0.143 4.483 4.340 -0.000 0.000 0.236 349 L C 0.275 177.143 176.870 -0.003 0.000 1.061 349 L CA 0.294 55.176 54.840 0.071 0.000 0.898 349 L CB -0.042 42.061 42.059 0.073 0.000 1.270 349 L HN -0.337 nan 8.230 nan 0.000 0.500 350 D N 1.249 121.639 120.400 -0.017 0.000 2.374 350 D HA 0.049 4.689 4.640 -0.000 0.000 0.240 350 D C 1.135 177.425 176.300 -0.017 0.000 1.229 350 D CA 0.115 54.105 54.000 -0.017 0.000 0.895 350 D CB 1.230 42.070 40.800 0.067 0.000 1.046 350 D HN 0.126 nan 8.370 nan 0.000 0.498 351 T N 0.086 114.626 114.554 -0.022 0.000 3.100 351 T HA 0.055 4.405 4.350 -0.000 0.000 0.253 351 T C 1.093 175.772 174.700 -0.035 0.000 1.118 351 T CA -0.415 61.673 62.100 -0.021 0.000 1.058 351 T CB 0.004 68.868 68.868 -0.006 0.000 0.953 351 T HN 0.223 nan 8.240 nan 0.000 0.515 352 S N 3.345 119.016 115.700 -0.049 0.000 2.533 352 S HA 0.214 4.684 4.470 -0.000 0.000 0.282 352 S C -1.038 173.508 174.600 -0.089 0.000 1.304 352 S CA -1.318 56.844 58.200 -0.064 0.000 1.063 352 S CB 0.946 64.095 63.200 -0.084 0.000 0.881 352 S HN 0.236 nan 8.310 nan 0.000 0.493 353 P HA 0.070 nan 4.420 nan 0.000 0.240 353 P C -0.134 177.110 177.300 -0.094 0.000 1.190 353 P CA 0.179 63.231 63.100 -0.079 0.000 0.781 353 P CB 0.016 31.684 31.700 -0.054 0.000 0.931 354 V N 1.987 121.842 119.914 -0.099 0.000 2.470 354 V HA 0.120 4.240 4.120 -0.000 0.000 0.276 354 V C 2.125 178.121 176.094 -0.164 0.000 1.040 354 V CA 0.020 62.263 62.300 -0.095 0.000 1.008 354 V CB 0.664 32.442 31.823 -0.075 0.000 0.990 354 V HN 0.022 nan 8.190 nan 0.000 0.477 355 R N 2.622 123.040 120.500 -0.136 0.000 2.082 355 R HA -0.014 4.326 4.340 -0.000 0.000 0.218 355 R C 1.366 177.514 176.300 -0.253 0.000 1.171 355 R CA 1.075 57.055 56.100 -0.201 0.000 0.914 355 R CB -0.199 30.025 30.300 -0.126 0.000 0.806 355 R HN 0.682 nan 8.270 nan 0.000 0.453 356 S N -0.318 115.303 115.700 -0.132 0.000 2.546 356 S HA 0.034 4.504 4.470 -0.000 0.000 0.290 356 S C 0.918 175.242 174.600 -0.459 0.000 1.290 356 S CA -0.049 58.031 58.200 -0.200 0.000 1.069 356 S CB 1.286 64.442 63.200 -0.072 0.000 0.846 356 S HN 0.503 nan 8.310 nan 0.000 0.495 357 G N 4.033 112.353 108.800 -0.800 0.000 2.956 357 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.207 357 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.207 357 G C 1.201 175.662 174.900 -0.733 0.000 1.162 357 G CA -0.180 44.310 45.100 -1.017 0.000 0.796 357 G HN 0.788 nan 8.290 nan 0.000 0.527 358 R N -0.456 119.675 120.500 -0.615 0.000 2.236 358 R HA 0.010 4.350 4.340 -0.000 0.000 0.208 358 R C 0.323 176.366 176.300 -0.427 0.000 1.036 358 R CA 0.628 56.463 56.100 -0.442 0.000 1.001 358 R CB 0.002 29.947 30.300 -0.591 0.000 0.896 358 R HN 0.404 nan 8.270 nan 0.000 0.464 359 Y N -0.118 120.145 120.300 -0.061 0.000 2.720 359 Y HA 0.402 4.952 4.550 -0.000 0.000 0.277 359 Y C -0.374 175.489 175.900 -0.061 0.000 1.144 359 Y CA -0.622 57.453 58.100 -0.041 0.000 1.221 359 Y CB 0.538 38.973 38.460 -0.042 0.000 1.163 359 Y HN -0.222 nan 8.280 nan 0.000 0.537 360 R N 1.570 122.081 120.500 0.019 0.000 2.547 360 R HA 0.221 4.561 4.340 -0.000 0.000 0.280 360 R C -2.273 174.092 176.300 0.108 0.000 1.630 360 R CA -1.317 54.802 56.100 0.032 0.000 1.470 360 R CB 1.109 31.358 30.300 -0.085 0.000 1.178 360 R HN -0.003 nan 8.270 nan 0.000 0.591 361 P HA -0.201 nan 4.420 nan 0.000 0.218 361 P C 1.126 178.473 177.300 0.078 0.000 1.146 361 P CA 1.338 64.492 63.100 0.090 0.000 0.813 361 P CB 0.396 32.138 31.700 0.069 0.000 0.778 362 M N -2.173 117.481 119.600 0.090 0.000 2.216 362 M HA -0.034 4.446 4.480 -0.000 0.000 0.264 362 M C 2.229 178.564 176.300 0.059 0.000 1.080 362 M CA 1.254 56.580 55.300 0.043 0.000 1.153 362 M CB -0.598 32.059 32.600 0.095 0.000 1.356 362 M HN -0.184 nan 8.290 nan 0.000 0.432 363 F N 1.836 121.812 119.950 0.043 0.000 2.065 363 F HA -0.313 4.214 4.527 -0.000 0.000 0.298 363 F C 2.099 177.966 175.800 0.111 0.000 1.112 363 F CA 1.950 60.013 58.000 0.105 0.000 1.212 363 F CB -0.378 38.626 39.000 0.005 0.000 0.975 363 F HN -0.021 nan 8.300 nan 0.000 0.476 364 K N 0.057 120.590 120.400 0.222 0.000 2.097 364 K HA -0.266 4.054 4.320 -0.000 0.000 0.214 364 K C 1.965 178.692 176.600 0.212 0.000 1.052 364 K CA 2.054 58.467 56.287 0.210 0.000 0.932 364 K CB -0.591 32.079 32.500 0.283 0.000 0.716 364 K HN 0.326 nan 8.250 nan 0.000 0.455 365 I N 0.071 120.665 120.570 0.040 0.000 2.252 365 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 365 I C 2.146 178.250 176.117 -0.023 0.000 1.102 365 I CA 1.532 62.818 61.300 -0.023 0.000 1.385 365 I CB -1.046 36.817 38.000 -0.229 0.000 1.064 365 I HN 0.121 nan 8.210 nan 0.000 0.414 366 Y N -0.311 120.037 120.300 0.081 0.000 2.314 366 Y HA -0.212 4.338 4.550 -0.000 0.000 0.293 366 Y C 2.431 178.353 175.900 0.037 0.000 1.129 366 Y CA 0.654 58.848 58.100 0.156 0.000 1.201 366 Y CB -1.126 37.456 38.460 0.203 0.000 0.999 366 Y HN 0.079 nan 8.280 nan 0.000 0.541 367 F N -0.813 118.984 119.950 -0.255 0.000 2.051 367 F HA -0.241 4.286 4.527 -0.000 0.000 0.296 367 F C 1.639 177.190 175.800 -0.414 0.000 1.122 367 F CA 1.530 59.195 58.000 -0.558 0.000 1.201 367 F CB -0.825 37.689 39.000 -0.810 0.000 0.978 367 F HN 0.009 nan 8.300 nan 0.000 0.472 368 W N 0.539 122.016 121.300 0.295 0.000 2.468 368 W HA -0.086 4.574 4.660 -0.000 0.000 0.262 368 W C 2.174 178.670 176.519 -0.038 0.000 1.241 368 W CA 0.708 58.139 57.345 0.143 0.000 1.232 368 W CB -0.464 29.089 29.460 0.155 0.000 1.124 368 W HN 0.092 nan 8.180 nan 0.000 0.597 369 L N -0.843 120.449 121.223 0.115 0.000 2.131 369 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 369 L C 2.331 179.233 176.870 0.054 0.000 1.087 369 L CA 0.440 55.279 54.840 -0.001 0.000 0.767 369 L CB -0.703 41.257 42.059 -0.166 0.000 0.917 369 L HN 0.012 nan 8.230 nan 0.000 0.441 370 L N 0.096 121.323 121.223 0.007 0.000 2.046 370 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 370 L C 2.594 179.390 176.870 -0.123 0.000 1.077 370 L CA 2.005 56.755 54.840 -0.149 0.000 0.747 370 L CB -0.657 40.839 42.059 -0.939 0.000 0.896 370 L HN 0.143 nan 8.230 nan 0.000 0.432 371 A N -0.417 122.178 122.820 -0.374 0.000 1.858 371 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 371 A C 2.459 179.984 177.584 -0.097 0.000 1.190 371 A CA 1.924 53.693 52.037 -0.448 0.000 0.617 371 A CB -1.320 17.383 19.000 -0.494 0.000 0.827 371 A HN 0.549 nan 8.150 nan 0.000 0.443 372 A N -0.317 122.508 122.820 0.007 0.000 1.940 372 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 372 A C 1.815 179.439 177.584 0.067 0.000 1.176 372 A CA 2.296 54.356 52.037 0.038 0.000 0.631 372 A CB -0.747 18.271 19.000 0.031 0.000 0.814 372 A HN 0.560 nan 8.150 nan 0.000 0.446 373 D N -1.524 118.951 120.400 0.126 0.000 2.117 373 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 373 D C 1.583 178.010 176.300 0.212 0.000 0.987 373 D CA 1.321 55.446 54.000 0.208 0.000 0.829 373 D CB -0.258 40.777 40.800 0.392 0.000 0.961 373 D HN 0.384 nan 8.370 nan 0.000 0.460 374 F N 0.165 120.174 119.950 0.099 0.000 2.171 374 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 374 F C 2.039 177.809 175.800 -0.050 0.000 1.090 374 F CA 0.934 58.943 58.000 0.014 0.000 1.293 374 F CB -0.205 38.855 39.000 0.100 0.000 1.013 374 F HN -0.115 nan 8.300 nan 0.000 0.486 375 V N 0.478 120.430 119.914 0.063 0.000 2.358 375 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 375 V C 2.368 178.470 176.094 0.013 0.000 1.047 375 V CA 2.001 64.301 62.300 0.000 0.000 1.035 375 V CB -0.558 31.282 31.823 0.028 0.000 0.658 375 V HN 0.324 nan 8.190 nan 0.000 0.452 376 I N -0.634 119.963 120.570 0.045 0.000 2.252 376 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 376 I C 2.364 178.564 176.117 0.137 0.000 1.102 376 I CA 1.406 62.785 61.300 0.132 0.000 1.385 376 I CB -0.286 37.774 38.000 0.099 0.000 1.064 376 I HN 0.232 nan 8.210 nan 0.000 0.414 377 L N 0.152 121.362 121.223 -0.021 0.000 2.043 377 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 377 L C 2.654 179.406 176.870 -0.195 0.000 1.075 377 L CA 1.766 56.520 54.840 -0.144 0.000 0.752 377 L CB -0.680 41.201 42.059 -0.297 0.000 0.891 377 L HN 0.285 nan 8.230 nan 0.000 0.432 378 T N -1.631 112.770 114.554 -0.256 0.000 2.708 378 T HA -0.274 4.076 4.350 -0.000 0.000 0.266 378 T C 1.268 175.932 174.700 -0.060 0.000 1.037 378 T CA 1.683 63.657 62.100 -0.209 0.000 1.146 378 T CB -0.455 68.273 68.868 -0.233 0.000 0.865 378 T HN 0.549 nan 8.240 nan 0.000 0.435 379 W N 1.889 123.105 121.300 -0.140 0.000 2.342 379 W HA -0.168 4.492 4.660 -0.000 0.000 0.297 379 W C 1.903 178.352 176.519 -0.117 0.000 1.213 379 W CA 0.708 57.989 57.345 -0.106 0.000 1.251 379 W CB -0.556 28.856 29.460 -0.080 0.000 1.136 379 W HN 0.003 nan 8.180 nan 0.000 0.526 380 V N 1.186 120.927 119.914 -0.289 0.000 2.453 380 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 380 V C 2.515 178.351 176.094 -0.430 0.000 1.048 380 V CA 1.891 63.877 62.300 -0.524 0.000 1.049 380 V CB -1.774 29.939 31.823 -0.183 0.000 0.672 380 V HN 0.401 nan 8.190 nan 0.000 0.457 381 G N 0.046 108.706 108.800 -0.232 0.000 2.485 381 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.221 381 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.221 381 G C 1.485 176.378 174.900 -0.012 0.000 1.115 381 G CA 1.041 46.130 45.100 -0.018 0.000 0.751 381 G HN 0.651 nan 8.290 nan 0.000 0.567 382 A N -1.077 121.591 122.820 -0.254 0.000 2.218 382 A HA 0.319 4.639 4.320 -0.000 0.000 0.209 382 A C 1.488 178.826 177.584 -0.410 0.000 1.168 382 A CA 0.322 52.187 52.037 -0.287 0.000 0.804 382 A CB 0.077 18.895 19.000 -0.303 0.000 0.834 382 A HN 0.341 nan 8.150 nan 0.000 0.482 383 Q N -0.086 119.349 119.800 -0.608 0.000 2.199 383 Q HA 0.413 4.753 4.340 -0.000 0.000 0.205 383 Q C -0.488 175.226 176.000 -0.478 0.000 1.001 383 Q CA -0.375 54.970 55.803 -0.764 0.000 1.019 383 Q CB 0.139 27.951 28.738 -1.543 0.000 1.132 383 Q HN 0.574 nan 8.270 nan 0.000 0.530 384 Q N -0.099 119.454 119.800 -0.410 0.000 2.396 384 Q HA 0.201 4.540 4.340 -0.000 0.000 0.221 384 Q C 0.812 176.776 176.000 -0.060 0.000 1.025 384 Q CA 0.092 55.815 55.803 -0.134 0.000 0.946 384 Q CB 0.275 29.009 28.738 -0.007 0.000 1.224 384 Q HN 0.649 nan 8.270 nan 0.000 0.539 385 T N -3.212 111.328 114.554 -0.023 0.000 3.148 385 T HA -0.007 4.343 4.350 -0.000 0.000 0.253 385 T C 0.788 175.511 174.700 0.039 0.000 1.134 385 T CA 0.189 62.270 62.100 -0.030 0.000 1.051 385 T CB -0.654 68.171 68.868 -0.072 0.000 0.959 385 T HN 0.741 nan 8.240 nan 0.000 0.525 386 T N 0.258 114.887 114.554 0.126 0.000 2.766 386 T HA 0.427 4.777 4.350 -0.000 0.000 0.295 386 T C -0.034 174.758 174.700 0.154 0.000 1.024 386 T CA -0.954 61.239 62.100 0.155 0.000 1.018 386 T CB 0.239 69.212 68.868 0.175 0.000 1.002 386 T HN 0.167 nan 8.240 nan 0.000 0.532 387 F N 3.276 123.238 119.950 0.019 0.000 2.506 387 F HA 0.336 4.863 4.527 -0.000 0.000 0.351 387 F C -1.275 174.385 175.800 -0.233 0.000 1.136 387 F CA -1.989 56.002 58.000 -0.015 0.000 1.298 387 F CB 0.793 39.816 39.000 0.038 0.000 1.145 387 F HN 0.423 nan 8.300 nan 0.000 0.593 388 P HA -0.015 nan 4.420 nan 0.000 0.262 388 P C 0.635 177.562 177.300 -0.623 0.000 1.304 388 P CA 0.616 62.895 63.100 -1.368 0.000 0.859 388 P CB -0.079 30.983 31.700 -1.063 0.000 1.310 389 Y N 2.535 122.713 120.300 -0.203 0.000 2.224 389 Y HA -0.196 4.354 4.550 -0.000 0.000 0.289 389 Y C 2.367 178.145 175.900 -0.203 0.000 1.146 389 Y CA 1.564 59.567 58.100 -0.162 0.000 1.182 389 Y CB -1.525 36.826 38.460 -0.181 0.000 0.983 389 Y HN 0.109 nan 8.280 nan 0.000 0.524 390 D N -1.381 118.955 120.400 -0.106 0.000 2.218 390 D HA -0.242 4.398 4.640 -0.000 0.000 0.204 390 D C 1.696 177.743 176.300 -0.421 0.000 0.976 390 D CA 1.132 54.973 54.000 -0.264 0.000 0.853 390 D CB -0.953 39.682 40.800 -0.275 0.000 0.939 390 D HN 0.433 nan 8.370 nan 0.000 0.481 391 W N 0.829 121.965 121.300 -0.273 0.000 2.444 391 W HA 0.227 4.887 4.660 -0.000 0.000 0.308 391 W C 2.627 179.041 176.519 -0.175 0.000 1.183 391 W CA 0.138 57.331 57.345 -0.253 0.000 1.340 391 W CB -0.290 28.954 29.460 -0.360 0.000 1.138 391 W HN -0.172 nan 8.180 nan 0.000 0.510 392 I N 0.386 121.002 120.570 0.076 0.000 2.151 392 I HA -0.432 3.738 4.170 -0.000 0.000 0.243 392 I C 2.688 178.831 176.117 0.044 0.000 1.080 392 I CA 1.952 63.308 61.300 0.094 0.000 1.339 392 I CB -1.115 36.989 38.000 0.175 0.000 1.039 392 I HN 0.000 nan 8.210 nan 0.000 0.409 393 S N 1.174 116.852 115.700 -0.038 0.000 2.370 393 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 393 S C 2.085 176.583 174.600 -0.170 0.000 1.033 393 S CA 1.157 59.283 58.200 -0.124 0.000 1.011 393 S CB -0.739 62.330 63.200 -0.218 0.000 0.852 393 S HN 0.435 nan 8.310 nan 0.000 0.457 394 L N 0.547 121.634 121.223 -0.227 0.000 2.005 394 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 394 L C 2.627 179.476 176.870 -0.035 0.000 1.072 394 L CA 1.664 56.352 54.840 -0.255 0.000 0.744 394 L CB -0.459 41.353 42.059 -0.410 0.000 0.895 394 L HN 0.380 nan 8.230 nan 0.000 0.433 395 I N -0.450 120.154 120.570 0.057 0.000 2.226 395 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 395 I C 2.779 179.011 176.117 0.192 0.000 1.100 395 I CA 1.102 62.491 61.300 0.148 0.000 1.374 395 I CB -0.587 37.506 38.000 0.154 0.000 1.057 395 I HN 0.213 nan 8.210 nan 0.000 0.413 396 A N 0.686 123.595 122.820 0.149 0.000 1.865 396 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 396 A C 2.528 180.270 177.584 0.264 0.000 1.191 396 A CA 2.468 54.621 52.037 0.193 0.000 0.623 396 A CB -0.963 18.101 19.000 0.107 0.000 0.826 396 A HN 0.409 nan 8.150 nan 0.000 0.444 397 S N 0.148 115.959 115.700 0.185 0.000 2.374 397 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 397 S C 2.296 177.226 174.600 0.549 0.000 1.037 397 S CA 1.428 59.818 58.200 0.316 0.000 1.024 397 S CB -0.653 62.669 63.200 0.204 0.000 0.861 397 S HN 0.850 nan 8.310 nan 0.000 0.456 398 A N 0.851 123.922 122.820 0.418 0.000 1.865 398 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 398 A C 2.000 179.834 177.584 0.418 0.000 1.191 398 A CA 1.804 54.089 52.037 0.414 0.000 0.623 398 A CB -1.135 18.037 19.000 0.287 0.000 0.826 398 A HN 0.557 nan 8.150 nan 0.000 0.444 399 Y N -1.056 119.412 120.300 0.281 0.000 2.403 399 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 399 Y C 2.140 178.201 175.900 0.268 0.000 1.143 399 Y CA 1.058 59.295 58.100 0.229 0.000 1.257 399 Y CB -0.286 38.278 38.460 0.173 0.000 0.984 399 Y HN 0.580 nan 8.280 nan 0.000 0.550 400 W N -0.046 121.290 121.300 0.060 0.000 2.380 400 W HA -0.275 4.385 4.660 -0.000 0.000 0.317 400 W C 1.464 177.991 176.519 0.013 0.000 1.196 400 W CA 2.061 59.389 57.345 -0.029 0.000 1.307 400 W CB -0.965 28.457 29.460 -0.063 0.000 1.157 400 W HN 0.124 nan 8.180 nan 0.000 0.483 401 F N 1.128 121.258 119.950 0.299 0.000 2.234 401 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 401 F C 2.736 178.554 175.800 0.031 0.000 1.087 401 F CA 1.709 59.827 58.000 0.197 0.000 1.340 401 F CB -1.420 37.699 39.000 0.199 0.000 1.031 401 F HN -0.120 nan 8.300 nan 0.000 0.500 402 A N -0.041 122.870 122.820 0.151 0.000 1.873 402 A HA -0.329 3.991 4.320 -0.000 0.000 0.218 402 A C 2.100 179.538 177.584 -0.243 0.000 1.193 402 A CA 2.087 54.106 52.037 -0.031 0.000 0.629 402 A CB -1.637 17.350 19.000 -0.022 0.000 0.826 402 A HN 0.502 nan 8.150 nan 0.000 0.447 403 Y N -0.726 119.185 120.300 -0.647 0.000 2.128 403 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 403 Y C 1.975 177.460 175.900 -0.691 0.000 1.154 403 Y CA 2.321 59.927 58.100 -0.824 0.000 1.149 403 Y CB -0.407 37.333 38.460 -1.199 0.000 0.976 403 Y HN 0.277 nan 8.280 nan 0.000 0.505 404 F N -0.800 118.923 119.950 -0.378 0.000 2.219 404 F HA -0.051 4.476 4.527 -0.000 0.000 0.294 404 F C 2.067 177.739 175.800 -0.214 0.000 1.086 404 F CA 1.018 58.817 58.000 -0.336 0.000 1.330 404 F CB -0.504 38.354 39.000 -0.237 0.000 1.047 404 F HN -0.044 nan 8.300 nan 0.000 0.495 405 L N -1.190 120.074 121.223 0.068 0.000 2.270 405 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 405 L C 1.625 178.484 176.870 -0.019 0.000 1.104 405 L CA 0.398 55.273 54.840 0.059 0.000 0.804 405 L CB -0.226 41.914 42.059 0.136 0.000 0.937 405 L HN 0.013 nan 8.230 nan 0.000 0.450 406 V N -1.299 118.562 119.914 -0.087 0.000 3.134 406 V HA 0.026 4.146 4.120 -0.000 0.000 0.222 406 V C 2.027 178.013 176.094 -0.180 0.000 1.247 406 V CA 0.103 62.343 62.300 -0.100 0.000 1.281 406 V CB 0.212 31.994 31.823 -0.068 0.000 1.169 406 V HN 0.069 nan 8.190 nan 0.000 0.512 407 I N 0.590 120.981 120.570 -0.297 0.000 2.087 407 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 407 I C 2.477 178.380 176.117 -0.356 0.000 1.054 407 I CA 2.077 63.127 61.300 -0.416 0.000 1.311 407 I CB -0.452 37.153 38.000 -0.660 0.000 1.024 407 I HN 0.258 nan 8.210 nan 0.000 0.402 408 L N 0.149 121.082 121.223 -0.484 0.000 2.012 408 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 408 L C -0.193 176.583 176.870 -0.156 0.000 1.073 408 L CA 1.838 56.475 54.840 -0.338 0.000 0.748 408 L CB -1.865 39.929 42.059 -0.442 0.000 0.891 408 L HN 0.192 nan 8.230 nan 0.000 0.431 409 P HA -0.168 nan 4.420 nan 0.000 0.215 409 P C 1.665 178.938 177.300 -0.044 0.000 1.153 409 P CA 1.333 64.396 63.100 -0.061 0.000 0.853 409 P CB 0.077 31.750 31.700 -0.044 0.000 0.788 410 I N -1.450 119.084 120.570 -0.059 0.000 2.315 410 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 410 I C 2.174 178.290 176.117 -0.001 0.000 1.117 410 I CA 1.324 62.606 61.300 -0.029 0.000 1.404 410 I CB -1.076 36.900 38.000 -0.040 0.000 1.071 410 I HN -0.131 nan 8.210 nan 0.000 0.419 411 L N -0.320 120.906 121.223 0.005 0.000 2.201 411 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 411 L C 2.530 179.424 176.870 0.041 0.000 1.105 411 L CA 1.107 55.986 54.840 0.065 0.000 0.775 411 L CB -1.268 40.872 42.059 0.134 0.000 0.913 411 L HN 0.357 nan 8.230 nan 0.000 0.440 412 G N -0.030 108.776 108.800 0.010 0.000 2.442 412 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 412 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 412 G C 1.632 176.534 174.900 0.003 0.000 1.141 412 G CA 0.901 46.000 45.100 -0.002 0.000 0.763 412 G HN 0.483 nan 8.290 nan 0.000 0.554 413 A N -0.679 122.146 122.820 0.008 0.000 2.115 413 A HA 0.514 4.834 4.320 -0.000 0.000 0.211 413 A C 2.015 179.610 177.584 0.019 0.000 1.169 413 A CA 0.078 52.121 52.037 0.011 0.000 0.787 413 A CB 0.139 19.145 19.000 0.009 0.000 0.858 413 A HN 0.323 nan 8.150 nan 0.000 0.474 414 I N 0.122 120.709 120.570 0.029 0.000 4.236 414 I HA 0.011 4.181 4.170 -0.000 0.000 0.224 414 I C 0.874 177.016 176.117 0.042 0.000 0.995 414 I CA 0.114 61.437 61.300 0.038 0.000 1.505 414 I CB -0.620 37.413 38.000 0.055 0.000 1.378 414 I HN 0.503 nan 8.210 nan 0.000 0.438 415 E N 3.201 123.437 120.200 0.060 0.000 3.414 415 E HA -0.214 4.136 4.350 -0.000 0.000 0.300 415 E C -0.774 175.850 176.600 0.040 0.000 0.862 415 E CA 0.632 57.069 56.400 0.061 0.000 0.998 415 E CB -0.024 29.728 29.700 0.087 0.000 0.990 415 E HN 0.127 nan 8.360 nan 0.000 0.516 416 K N 4.813 125.235 120.400 0.036 0.000 2.264 416 K HA 0.268 4.588 4.320 -0.000 0.000 0.277 416 K C -2.205 174.411 176.600 0.027 0.000 1.067 416 K CA -1.862 54.440 56.287 0.025 0.000 0.900 416 K CB 1.218 33.731 32.500 0.021 0.000 1.124 416 K HN 0.489 nan 8.250 nan 0.000 0.469 417 P HA 0.050 nan 4.420 nan 0.000 0.271 417 P C -0.186 177.126 177.300 0.021 0.000 1.233 417 P CA -0.404 62.709 63.100 0.021 0.000 0.789 417 P CB 0.608 32.310 31.700 0.002 0.000 0.951 418 V N 0.088 120.026 119.914 0.040 0.000 3.211 418 V HA 0.565 4.685 4.120 -0.000 0.000 0.319 418 V C 0.265 176.314 176.094 -0.076 0.000 1.096 418 V CA -0.961 61.346 62.300 0.012 0.000 1.029 418 V CB 1.321 33.188 31.823 0.075 0.000 1.137 418 V HN 0.615 nan 8.190 nan 0.000 0.453 419 A N 3.284 126.027 122.820 -0.127 0.000 2.457 419 A HA 0.508 4.828 4.320 -0.000 0.000 0.298 419 A C -1.945 175.391 177.584 -0.413 0.000 1.288 419 A CA -0.931 50.989 52.037 -0.195 0.000 0.956 419 A CB -0.708 18.214 19.000 -0.130 0.000 1.135 419 A HN 0.601 nan 8.150 nan 0.000 0.535 420 P HA 0.344 nan 4.420 nan 0.000 0.286 420 P C -2.644 174.435 177.300 -0.369 0.000 1.269 420 P CA -1.274 61.392 63.100 -0.723 0.000 0.787 420 P CB 0.260 31.723 31.700 -0.395 0.000 0.920 421 P HA -0.105 nan 4.420 nan 0.000 0.269 421 P C 0.829 178.078 177.300 -0.084 0.000 1.185 421 P CA 0.415 63.441 63.100 -0.125 0.000 0.769 421 P CB 0.261 31.939 31.700 -0.037 0.000 0.809 422 A N 1.143 123.929 122.820 -0.057 0.000 2.123 422 A HA 0.124 4.444 4.320 -0.000 0.000 0.214 422 A C 0.981 178.551 177.584 -0.023 0.000 1.152 422 A CA 1.411 53.422 52.037 -0.042 0.000 0.728 422 A CB -0.057 18.921 19.000 -0.037 0.000 0.814 422 A HN 0.562 nan 8.150 nan 0.000 0.464 423 T N -1.831 112.715 114.554 -0.013 0.000 2.932 423 T HA 0.449 4.799 4.350 -0.000 0.000 0.318 423 T C 0.766 175.474 174.700 0.013 0.000 1.265 423 T CA -0.557 61.543 62.100 -0.001 0.000 1.036 423 T CB 0.731 69.599 68.868 -0.000 0.000 1.209 423 T HN 0.120 nan 8.240 nan 0.000 0.484 424 I N 1.776 122.353 120.570 0.013 0.000 2.335 424 I HA -0.106 4.064 4.170 -0.000 0.000 0.251 424 I C 2.405 178.559 176.117 0.062 0.000 1.129 424 I CA 1.340 62.651 61.300 0.018 0.000 1.402 424 I CB -0.188 37.802 38.000 -0.018 0.000 1.069 424 I HN 0.768 nan 8.210 nan 0.000 0.424 425 E N 1.792 122.029 120.200 0.063 0.000 2.017 425 E HA -0.306 4.044 4.350 -0.000 0.000 0.193 425 E C 2.183 178.829 176.600 0.076 0.000 0.997 425 E CA 1.614 58.074 56.400 0.099 0.000 0.804 425 E CB -0.144 29.588 29.700 0.054 0.000 0.757 425 E HN 0.451 nan 8.360 nan 0.000 0.448 426 E N 0.116 120.336 120.200 0.033 0.000 2.147 426 E HA -0.299 4.050 4.350 -0.000 0.000 0.199 426 E C 1.697 178.314 176.600 0.028 0.000 1.005 426 E CA 1.855 58.262 56.400 0.012 0.000 0.810 426 E CB -0.141 29.558 29.700 -0.000 0.000 0.736 426 E HN 0.279 nan 8.360 nan 0.000 0.460 427 D N -0.854 119.583 120.400 0.061 0.000 2.123 427 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 427 D C 1.699 178.079 176.300 0.134 0.000 0.976 427 D CA 0.686 54.737 54.000 0.085 0.000 0.831 427 D CB -0.246 40.610 40.800 0.094 0.000 0.974 427 D HN 0.191 nan 8.370 nan 0.000 0.469 428 F N 1.590 121.518 119.950 -0.037 0.000 2.051 428 F HA -0.100 4.427 4.527 -0.000 0.000 0.296 428 F C 1.841 177.615 175.800 -0.045 0.000 1.122 428 F CA 1.476 59.445 58.000 -0.052 0.000 1.201 428 F CB -1.168 37.791 39.000 -0.068 0.000 0.978 428 F HN -0.085 nan 8.300 nan 0.000 0.472 429 N N 0.635 119.201 118.700 -0.223 0.000 2.192 429 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 429 N C 0.884 176.277 175.510 -0.196 0.000 1.013 429 N CA 0.990 53.836 53.050 -0.340 0.000 0.863 429 N CB -0.579 37.788 38.487 -0.200 0.000 0.990 429 N HN 0.405 nan 8.380 nan 0.000 0.430 430 A N 0.000 122.771 122.820 -0.082 0.000 2.254 430 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 430 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 430 A CB 0.000 19.003 19.000 0.004 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486