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 2cj1_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPGSGIGYPY DNNTLPYVAP GPTDSRAPCP ALNALANHGY IPHDGRAISR DATA SEQUENCE ETLQNAFLNH MGIANSVIEL ALTNAFVVcE YVTGSDcGDS LVNLTLLAEP DATA SEQUENCE HAFEHDHSFS RKDYKQGVAN SNDFIDNRNF DAETFQTSLD VVAGKTHFDY DATA SEQUENCE ADMNEIRLQR ESLSNELDFP GWFTESKPIQ NVESGFIFAL VSDFNLPDND DATA SEQUENCE ENPLVRIDWW KYWFTNESFP YHLGWHPPSP AREIEFVTSA SSAVLAASVT DATA SEQUENCE STPSSLPSGA IGPGAEAVPL SFASTMTPFL LATNAPYYAQ DPTLGPND 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.645 176.600 0.075 0.000 1.382 1 E CA 0.000 56.453 56.400 0.088 0.000 0.976 1 E CB 0.000 29.739 29.700 0.065 0.000 0.812 2 P HA -0.132 nan 4.420 nan 0.000 0.218 2 P C 1.178 178.500 177.300 0.037 0.000 1.148 2 P CA 1.512 64.651 63.100 0.066 0.000 0.822 2 P CB 0.178 31.919 31.700 0.067 0.000 0.784 3 G N 0.109 108.924 108.800 0.025 0.000 2.650 3 G HA2 -0.148 3.822 3.960 0.017 0.000 0.214 3 G HA3 -0.148 3.822 3.960 0.017 0.000 0.214 3 G C 1.648 176.544 174.900 -0.006 0.000 1.136 3 G CA 0.823 45.925 45.100 0.003 0.000 0.789 3 G HN 0.434 nan 8.290 nan 0.000 0.536 4 S N -0.072 115.634 115.700 0.011 0.000 2.423 4 S HA 0.193 4.673 4.470 0.017 0.000 0.231 4 S C 2.195 176.788 174.600 -0.011 0.000 1.014 4 S CA 1.226 59.432 58.200 0.011 0.000 0.965 4 S CB -0.489 62.734 63.200 0.038 0.000 0.785 4 S HN 1.450 nan 8.310 nan 0.000 0.495 5 G N 1.273 110.059 108.800 -0.023 0.000 2.175 5 G HA2 -0.312 3.658 3.960 0.017 0.000 0.265 5 G HA3 -0.312 3.658 3.960 0.017 0.000 0.265 5 G C 0.637 175.532 174.900 -0.008 0.000 0.979 5 G CA 0.588 45.669 45.100 -0.032 0.000 0.663 5 G HN 0.600 nan 8.290 nan 0.000 0.533 6 I N 0.656 121.192 120.570 -0.057 0.000 2.248 6 I HA -0.116 4.064 4.170 0.017 0.000 0.248 6 I C 2.827 178.744 176.117 -0.332 0.000 1.107 6 I CA 1.801 63.013 61.300 -0.147 0.000 1.373 6 I CB -0.276 37.618 38.000 -0.175 0.000 1.055 6 I HN 0.299 nan 8.210 nan 0.000 0.418 7 G N -0.879 107.710 108.800 -0.351 0.000 2.650 7 G HA2 -0.184 3.786 3.960 0.017 0.000 0.214 7 G HA3 -0.184 3.786 3.960 0.017 0.000 0.214 7 G C 0.522 175.461 174.900 0.065 0.000 1.136 7 G CA -0.212 44.757 45.100 -0.217 0.000 0.789 7 G HN 0.287 nan 8.290 nan 0.000 0.536 8 Y N 2.267 122.522 120.300 -0.076 0.000 2.497 8 Y HA 0.312 4.872 4.550 0.017 0.000 0.334 8 Y C -1.282 174.514 175.900 -0.174 0.000 1.199 8 Y CA -1.781 56.251 58.100 -0.114 0.000 1.425 8 Y CB 1.508 39.910 38.460 -0.097 0.000 1.291 8 Y HN -0.034 nan 8.280 nan 0.000 0.562 9 P HA 0.073 nan 4.420 nan 0.000 0.259 9 P C -0.264 176.544 177.300 -0.820 0.000 1.530 9 P CA 0.483 62.853 63.100 -1.216 0.000 1.022 9 P CB -0.023 30.830 31.700 -1.412 0.000 1.514 10 Y N -0.043 120.037 120.300 -0.367 0.000 2.347 10 Y HA 0.150 4.708 4.550 0.014 0.000 0.294 10 Y C 1.032 176.788 175.900 -0.240 0.000 1.117 10 Y CA 0.636 58.534 58.100 -0.337 0.000 1.184 10 Y CB 0.087 38.304 38.460 -0.403 0.000 1.047 10 Y HN -0.014 nan 8.280 nan 0.000 0.546 11 D N -0.681 119.713 120.400 -0.009 0.000 2.542 11 D HA 0.181 4.831 4.640 0.017 0.000 0.252 11 D C -0.577 175.731 176.300 0.014 0.000 1.222 11 D CA -0.222 53.766 54.000 -0.019 0.000 0.895 11 D CB 0.543 41.379 40.800 0.061 0.000 1.207 11 D HN -0.055 nan 8.370 nan 0.000 0.558 12 N N 2.691 121.390 118.700 -0.001 0.000 2.270 12 N HA 0.107 4.857 4.740 0.017 0.000 0.198 12 N C -0.726 174.832 175.510 0.080 0.000 1.117 12 N CA 0.054 53.140 53.050 0.060 0.000 0.845 12 N CB 0.100 38.608 38.487 0.036 0.000 0.980 12 N HN 0.379 nan 8.380 nan 0.000 0.486 13 N N -0.600 118.165 118.700 0.108 0.000 2.673 13 N HA 0.040 4.790 4.740 0.017 0.000 0.265 13 N C -0.937 174.728 175.510 0.259 0.000 1.709 13 N CA -0.269 52.877 53.050 0.160 0.000 0.792 13 N CB 1.039 39.615 38.487 0.148 0.000 1.286 13 N HN -0.010 nan 8.380 nan 0.000 0.506 14 T N -1.379 113.303 114.554 0.215 0.000 2.882 14 T HA 0.633 4.993 4.350 0.017 0.000 0.287 14 T C 0.034 174.893 174.700 0.265 0.000 1.014 14 T CA -0.429 61.842 62.100 0.285 0.000 1.049 14 T CB 1.174 70.163 68.868 0.202 0.000 1.001 14 T HN 0.057 nan 8.240 nan 0.000 0.525 15 L N 1.939 123.334 121.223 0.287 0.000 2.354 15 L HA 0.559 4.909 4.340 0.017 0.000 0.264 15 L C -2.268 174.716 176.870 0.190 0.000 1.008 15 L CA -2.864 52.050 54.840 0.122 0.000 0.819 15 L CB 2.750 44.770 42.059 -0.065 0.000 1.339 15 L HN 0.536 nan 8.230 nan 0.000 0.420 16 P HA 0.015 nan 4.420 nan 0.000 0.274 16 P C -1.194 176.050 177.300 -0.094 0.000 1.237 16 P CA -0.250 62.918 63.100 0.113 0.000 0.793 16 P CB 0.499 32.236 31.700 0.062 0.000 0.977 17 Y N 1.837 121.930 120.300 -0.346 0.000 2.526 17 Y HA 0.276 4.836 4.550 0.017 0.000 0.330 17 Y C -0.679 175.061 175.900 -0.266 0.000 1.156 17 Y CA 0.458 58.209 58.100 -0.582 0.000 1.419 17 Y CB 0.314 38.553 38.460 -0.368 0.000 1.250 17 Y HN 0.055 nan 8.280 nan 0.000 0.540 18 V N 6.467 125.863 119.914 -0.863 0.000 2.577 18 V HA 0.594 4.724 4.120 0.017 0.000 0.303 18 V C -0.147 175.366 176.094 -0.968 0.000 1.042 18 V CA -0.965 60.929 62.300 -0.677 0.000 0.872 18 V CB 1.162 32.728 31.823 -0.428 0.000 0.998 18 V HN 1.052 nan 8.190 nan 0.000 0.423 19 A N 7.289 129.652 122.820 -0.762 0.000 2.462 19 A HA 0.605 4.935 4.320 0.017 0.000 0.243 19 A C -2.108 175.200 177.584 -0.461 0.000 1.076 19 A CA -0.913 50.772 52.037 -0.587 0.000 0.773 19 A CB -0.151 18.589 19.000 -0.434 0.000 1.010 19 A HN 0.632 nan 8.150 nan 0.000 0.493 20 P HA 0.189 nan 4.420 nan 0.000 0.271 20 P C 0.377 177.519 177.300 -0.264 0.000 1.216 20 P CA 0.357 63.326 63.100 -0.218 0.000 0.771 20 P CB 0.696 32.342 31.700 -0.090 0.000 0.864 21 G N 3.343 112.025 108.800 -0.196 0.000 2.537 21 G HA2 0.294 4.264 3.960 0.017 0.000 0.273 21 G HA3 0.294 4.264 3.960 0.017 0.000 0.273 21 G C -1.676 173.180 174.900 -0.074 0.000 1.189 21 G CA -1.401 43.605 45.100 -0.158 0.000 0.881 21 G HN 0.266 nan 8.290 nan 0.000 0.535 22 P HA -0.086 nan 4.420 nan 0.000 0.221 22 P C 1.909 179.206 177.300 -0.005 0.000 1.145 22 P CA 1.911 65.009 63.100 -0.002 0.000 0.795 22 P CB 0.177 31.878 31.700 0.002 0.000 0.775 23 T N -5.847 108.694 114.554 -0.021 0.000 3.065 23 T HA 0.058 4.419 4.350 0.017 0.000 0.252 23 T C 0.595 175.286 174.700 -0.015 0.000 1.099 23 T CA -0.178 61.913 62.100 -0.016 0.000 1.063 23 T CB -0.551 68.305 68.868 -0.020 0.000 0.948 23 T HN -0.092 nan 8.240 nan 0.000 0.506 24 D N 2.610 122.996 120.400 -0.023 0.000 2.399 24 D HA 0.225 4.875 4.640 0.017 0.000 0.241 24 D C -0.229 176.069 176.300 -0.005 0.000 1.133 24 D CA 0.253 54.241 54.000 -0.019 0.000 0.890 24 D CB 1.418 42.197 40.800 -0.036 0.000 1.201 24 D HN 0.256 nan 8.370 nan 0.000 0.432 25 S N 1.836 117.534 115.700 -0.003 0.000 2.475 25 S HA 0.342 4.822 4.470 0.017 0.000 0.281 25 S C -0.234 174.368 174.600 0.004 0.000 1.198 25 S CA -0.710 57.491 58.200 0.002 0.000 1.063 25 S CB 0.368 63.567 63.200 -0.002 0.000 0.972 25 S HN 0.214 nan 8.310 nan 0.000 0.486 26 R N 1.827 122.335 120.500 0.013 0.000 2.919 26 R HA 0.777 5.127 4.340 0.017 0.000 0.260 26 R C -0.237 176.068 176.300 0.008 0.000 1.067 26 R CA -0.737 55.373 56.100 0.016 0.000 1.003 26 R CB 1.462 31.786 30.300 0.040 0.000 1.192 26 R HN 0.671 nan 8.270 nan 0.000 0.488 27 A N 1.426 124.247 122.820 0.001 0.000 2.284 27 A HA 0.609 4.939 4.320 0.017 0.000 0.317 27 A C -1.959 175.604 177.584 -0.035 0.000 1.120 27 A CA -1.279 50.745 52.037 -0.022 0.000 0.900 27 A CB 0.735 19.722 19.000 -0.021 0.000 1.319 27 A HN 0.493 nan 8.150 nan 0.000 0.494 28 P HA 0.097 nan 4.420 nan 0.000 0.253 28 P C 0.037 177.271 177.300 -0.109 0.000 1.260 28 P CA 0.327 63.374 63.100 -0.089 0.000 0.800 28 P CB -0.323 31.313 31.700 -0.106 0.000 1.162 29 C N 2.930 122.182 119.300 -0.079 0.000 2.281 29 C HA 0.476 4.946 4.460 0.017 0.000 0.325 29 C C -1.094 173.864 174.990 -0.053 0.000 1.282 29 C CA -2.548 56.447 59.018 -0.038 0.000 1.640 29 C CB 1.140 28.906 27.740 0.044 0.000 2.288 29 C HN 0.108 nan 8.230 nan 0.000 0.507 30 P HA -0.017 nan 4.420 nan 0.000 0.222 30 P C 1.218 178.664 177.300 0.244 0.000 1.153 30 P CA 1.694 64.621 63.100 -0.288 0.000 0.798 30 P CB 0.129 31.125 31.700 -1.172 0.000 0.796 31 A N 0.619 123.730 122.820 0.484 0.000 1.854 31 A HA -0.086 4.245 4.320 0.017 0.000 0.214 31 A C 2.390 180.155 177.584 0.301 0.000 1.192 31 A CA 1.206 53.600 52.037 0.596 0.000 0.611 31 A CB -1.572 17.864 19.000 0.726 0.000 0.832 31 A HN 0.091 nan 8.150 nan 0.000 0.442 32 L N -0.045 121.335 121.223 0.261 0.000 2.079 32 L HA -0.229 4.121 4.340 0.017 0.000 0.210 32 L C 2.272 179.183 176.870 0.068 0.000 1.081 32 L CA 1.309 56.230 54.840 0.135 0.000 0.752 32 L CB -0.759 41.384 42.059 0.139 0.000 0.896 32 L HN 0.355 nan 8.230 nan 0.000 0.433 33 N N 0.353 119.094 118.700 0.068 0.000 2.120 33 N HA -0.137 4.613 4.740 0.017 0.000 0.188 33 N C 1.914 177.440 175.510 0.027 0.000 1.024 33 N CA 1.539 54.609 53.050 0.034 0.000 0.852 33 N CB -0.359 38.144 38.487 0.025 0.000 1.003 33 N HN 0.321 nan 8.380 nan 0.000 0.424 34 A N 1.236 124.082 122.820 0.044 0.000 1.902 34 A HA -0.060 4.270 4.320 0.017 0.000 0.217 34 A C 2.361 179.985 177.584 0.066 0.000 1.181 34 A CA 0.950 52.959 52.037 -0.046 0.000 0.623 34 A CB -0.793 18.002 19.000 -0.341 0.000 0.818 34 A HN 0.216 nan 8.150 nan 0.000 0.443 35 L N -0.807 120.485 121.223 0.114 0.000 2.012 35 L HA -0.230 4.120 4.340 0.017 0.000 0.210 35 L C 3.097 179.960 176.870 -0.012 0.000 1.073 35 L CA 1.260 56.192 54.840 0.153 0.000 0.748 35 L CB -0.587 41.470 42.059 -0.004 0.000 0.891 35 L HN 0.448 nan 8.230 nan 0.000 0.431 36 A N -0.020 122.763 122.820 -0.061 0.000 1.930 36 A HA -0.176 4.154 4.320 0.017 0.000 0.217 36 A C 1.994 179.416 177.584 -0.269 0.000 1.175 36 A CA 1.593 53.538 52.037 -0.154 0.000 0.627 36 A CB -0.534 18.419 19.000 -0.079 0.000 0.815 36 A HN 0.419 nan 8.150 nan 0.000 0.443 37 N N -0.083 118.502 118.700 -0.191 0.000 2.272 37 N HA -0.131 4.619 4.740 0.017 0.000 0.185 37 N C 1.134 176.364 175.510 -0.466 0.000 1.014 37 N CA 1.234 54.092 53.050 -0.318 0.000 0.870 37 N CB -0.451 37.857 38.487 -0.299 0.000 0.975 37 N HN 0.661 nan 8.380 nan 0.000 0.433 38 H N -1.332 117.472 119.070 -0.444 0.000 2.586 38 H HA 0.207 4.773 4.556 0.017 0.000 0.273 38 H C 1.041 175.802 175.328 -0.944 0.000 0.997 38 H CA 0.590 56.253 56.048 -0.642 0.000 1.177 38 H CB 0.586 29.823 29.762 -0.875 0.000 1.471 38 H HN 0.249 nan 8.280 nan 0.000 0.538 39 G N 1.167 109.363 108.800 -1.007 0.000 2.155 39 G HA2 -0.359 3.611 3.960 0.017 0.000 0.257 39 G HA3 -0.359 3.611 3.960 0.017 0.000 0.257 39 G C 0.503 175.180 174.900 -0.372 0.000 0.983 39 G CA 0.593 45.127 45.100 -0.944 0.000 0.676 39 G HN 0.389 nan 8.290 nan 0.000 0.528 40 Y N 0.178 120.363 120.300 -0.192 0.000 2.293 40 Y HA 0.246 4.807 4.550 0.017 0.000 0.291 40 Y C 2.126 177.986 175.900 -0.066 0.000 1.137 40 Y CA 0.687 58.711 58.100 -0.126 0.000 1.202 40 Y CB -0.226 38.147 38.460 -0.144 0.000 0.990 40 Y HN 0.701 nan 8.280 nan 0.000 0.537 41 I N -3.243 117.350 120.570 0.038 0.000 2.910 41 I HA 0.531 4.711 4.170 0.017 0.000 0.310 41 I C -2.787 173.287 176.117 -0.071 0.000 1.043 41 I CA -2.926 58.380 61.300 0.009 0.000 1.053 41 I CB 1.954 39.968 38.000 0.023 0.000 1.242 41 I HN -0.375 nan 8.210 nan 0.000 0.452 42 P HA -0.016 nan 4.420 nan 0.000 0.260 42 P C -0.183 177.080 177.300 -0.062 0.000 1.172 42 P CA 0.698 63.781 63.100 -0.028 0.000 0.760 42 P CB 0.160 31.869 31.700 0.016 0.000 0.773 43 H N 2.110 121.141 119.070 -0.065 0.000 2.394 43 H HA -0.213 4.354 4.556 0.019 0.000 0.297 43 H C 1.519 176.795 175.328 -0.087 0.000 1.113 43 H CA 2.229 58.215 56.048 -0.104 0.000 1.277 43 H CB -0.030 29.655 29.762 -0.128 0.000 1.370 43 H HN 0.554 nan 8.280 nan 0.000 0.506 44 D N -0.782 119.653 120.400 0.057 0.000 2.349 44 D HA 0.023 4.673 4.640 0.017 0.000 0.224 44 D C 1.489 177.791 176.300 0.004 0.000 1.029 44 D CA 0.726 54.736 54.000 0.016 0.000 0.879 44 D CB -0.476 40.330 40.800 0.010 0.000 0.906 44 D HN 0.412 nan 8.370 nan 0.000 0.528 45 G N 0.378 109.178 108.800 0.001 0.000 2.249 45 G HA2 -0.330 3.640 3.960 0.017 0.000 0.273 45 G HA3 -0.330 3.640 3.960 0.017 0.000 0.273 45 G C 0.002 174.904 174.900 0.003 0.000 1.036 45 G CA 0.192 45.291 45.100 -0.002 0.000 0.824 45 G HN 0.505 nan 8.290 nan 0.000 0.504 46 R N -0.956 119.551 120.500 0.011 0.000 2.750 46 R HA 0.686 5.036 4.340 0.017 0.000 0.281 46 R C 0.581 176.899 176.300 0.029 0.000 0.972 46 R CA -0.470 55.639 56.100 0.014 0.000 0.912 46 R CB 1.790 32.097 30.300 0.012 0.000 1.187 46 R HN 1.569 nan 8.270 nan 0.000 0.464 47 A N 2.229 125.070 122.820 0.035 0.000 2.360 47 A HA -0.164 4.166 4.320 0.017 0.000 0.289 47 A C -0.331 177.302 177.584 0.082 0.000 1.437 47 A CA 0.468 52.541 52.037 0.059 0.000 0.734 47 A CB -1.826 17.205 19.000 0.052 0.000 1.145 47 A HN 0.595 nan 8.150 nan 0.000 0.374 48 I N 1.746 122.376 120.570 0.100 0.000 2.362 48 I HA 0.446 4.626 4.170 0.017 0.000 0.289 48 I C 0.909 177.163 176.117 0.229 0.000 0.994 48 I CA 0.001 61.378 61.300 0.129 0.000 1.158 48 I CB 1.973 40.033 38.000 0.100 0.000 1.315 48 I HN 0.684 nan 8.210 nan 0.000 0.451 49 S N 5.500 121.325 115.700 0.207 0.000 2.652 49 S HA 0.398 4.878 4.470 0.017 0.000 0.270 49 S C 1.051 175.802 174.600 0.251 0.000 1.243 49 S CA -0.608 57.730 58.200 0.230 0.000 0.999 49 S CB 1.632 64.913 63.200 0.135 0.000 0.973 49 S HN 0.650 nan 8.310 nan 0.000 0.544 50 R N 0.677 121.299 120.500 0.204 0.000 2.091 50 R HA -0.117 4.233 4.340 0.017 0.000 0.238 50 R C 2.361 178.753 176.300 0.152 0.000 1.136 50 R CA 1.903 58.114 56.100 0.186 0.000 0.959 50 R CB -0.458 29.874 30.300 0.054 0.000 0.856 50 R HN 0.923 nan 8.270 nan 0.000 0.437 51 E N -0.077 120.187 120.200 0.106 0.000 2.106 51 E HA -0.141 4.219 4.350 0.017 0.000 0.192 51 E C 1.466 178.133 176.600 0.111 0.000 0.984 51 E CA 1.552 58.008 56.400 0.092 0.000 0.806 51 E CB 0.138 29.875 29.700 0.062 0.000 0.750 51 E HN 0.186 nan 8.360 nan 0.000 0.458 52 T N 1.062 115.690 114.554 0.123 0.000 2.684 52 T HA -0.165 4.195 4.350 0.017 0.000 0.267 52 T C 1.794 176.584 174.700 0.150 0.000 1.036 52 T CA 1.393 63.568 62.100 0.125 0.000 1.148 52 T CB -0.227 68.714 68.868 0.122 0.000 0.863 52 T HN 0.142 nan 8.240 nan 0.000 0.436 53 L N 0.598 121.940 121.223 0.198 0.000 2.017 53 L HA -0.163 4.187 4.340 0.017 0.000 0.208 53 L C 2.938 180.013 176.870 0.342 0.000 1.073 53 L CA 1.486 56.495 54.840 0.282 0.000 0.745 53 L CB -0.575 41.699 42.059 0.358 0.000 0.894 53 L HN 0.303 nan 8.230 nan 0.000 0.432 54 Q N -0.074 119.876 119.800 0.249 0.000 2.030 54 Q HA -0.241 4.109 4.340 0.017 0.000 0.204 54 Q C 1.993 178.086 176.000 0.155 0.000 0.986 54 Q CA 2.152 58.075 55.803 0.201 0.000 0.843 54 Q CB -0.347 28.463 28.738 0.121 0.000 0.904 54 Q HN 0.597 nan 8.270 nan 0.000 0.420 55 N N 0.200 118.962 118.700 0.104 0.000 2.120 55 N HA -0.161 4.589 4.740 0.017 0.000 0.188 55 N C 1.784 177.304 175.510 0.016 0.000 1.024 55 N CA 0.761 53.835 53.050 0.041 0.000 0.852 55 N CB -0.144 38.368 38.487 0.043 0.000 1.003 55 N HN 0.215 nan 8.380 nan 0.000 0.424 56 A N 0.788 123.654 122.820 0.076 0.000 1.877 56 A HA -0.104 4.227 4.320 0.017 0.000 0.216 56 A C 1.798 179.345 177.584 -0.061 0.000 1.186 56 A CA 1.147 53.214 52.037 0.051 0.000 0.620 56 A CB -0.784 18.230 19.000 0.022 0.000 0.822 56 A HN 0.189 nan 8.150 nan 0.000 0.443 57 F N -0.786 119.180 119.950 0.027 0.000 2.146 57 F HA -0.078 4.452 4.527 0.005 0.000 0.298 57 F C 2.059 177.804 175.800 -0.091 0.000 1.096 57 F CA 1.441 59.431 58.000 -0.017 0.000 1.275 57 F CB -0.385 38.612 39.000 -0.004 0.000 1.008 57 F HN 0.272 nan 8.300 nan 0.000 0.480 58 L N 0.258 121.531 121.223 0.084 0.000 2.044 58 L HA -0.125 4.225 4.340 0.017 0.000 0.205 58 L C 1.582 178.356 176.870 -0.161 0.000 1.075 58 L CA 2.058 56.879 54.840 -0.031 0.000 0.747 58 L CB -0.934 41.109 42.059 -0.027 0.000 0.903 58 L HN 0.054 nan 8.230 nan 0.000 0.435 59 N N -2.197 116.330 118.700 -0.287 0.000 2.415 59 N HA -0.042 4.708 4.740 0.017 0.000 0.176 59 N C 0.974 176.033 175.510 -0.752 0.000 1.042 59 N CA 0.696 53.428 53.050 -0.531 0.000 0.902 59 N CB 0.069 38.159 38.487 -0.663 0.000 0.986 59 N HN 0.421 nan 8.380 nan 0.000 0.447 60 H N -1.075 117.786 119.070 -0.349 0.000 3.046 60 H HA 0.309 4.875 4.556 0.016 0.000 0.262 60 H C 0.850 175.906 175.328 -0.453 0.000 1.044 60 H CA 0.385 56.129 56.048 -0.507 0.000 1.209 60 H CB 0.743 29.903 29.762 -1.004 0.000 1.507 60 H HN 0.190 nan 8.280 nan 0.000 0.507 61 M N -0.821 118.647 119.600 -0.220 0.000 2.289 61 M HA 0.244 4.734 4.480 0.017 0.000 0.335 61 M C 0.807 177.048 176.300 -0.099 0.000 0.961 61 M CA 0.243 55.450 55.300 -0.154 0.000 1.018 61 M CB 1.917 34.497 32.600 -0.033 0.000 1.678 61 M HN 0.229 nan 8.290 nan 0.000 0.589 62 G N 2.418 111.134 108.800 -0.140 0.000 2.273 62 G HA2 -0.209 3.761 3.960 0.017 0.000 0.280 62 G HA3 -0.209 3.761 3.960 0.017 0.000 0.280 62 G C -0.315 174.534 174.900 -0.086 0.000 1.047 62 G CA -0.045 44.969 45.100 -0.143 0.000 0.869 62 G HN 0.389 nan 8.290 nan 0.000 0.502 63 I N 0.716 121.273 120.570 -0.021 0.000 2.355 63 I HA 0.631 4.811 4.170 0.017 0.000 0.288 63 I C 0.859 176.970 176.117 -0.010 0.000 0.999 63 I CA -1.053 60.237 61.300 -0.017 0.000 1.163 63 I CB 0.896 38.897 38.000 0.002 0.000 1.316 63 I HN 0.334 nan 8.210 nan 0.000 0.454 64 A N 5.609 128.414 122.820 -0.026 0.000 2.313 64 A HA 0.299 4.629 4.320 0.017 0.000 0.261 64 A C 1.181 178.763 177.584 -0.004 0.000 1.090 64 A CA -0.231 51.800 52.037 -0.010 0.000 0.807 64 A CB 0.226 19.222 19.000 -0.006 0.000 1.055 64 A HN 0.725 nan 8.150 nan 0.000 0.492 65 N N 0.822 119.529 118.700 0.012 0.000 2.104 65 N HA -0.192 4.558 4.740 0.017 0.000 0.190 65 N C 2.113 177.637 175.510 0.024 0.000 1.024 65 N CA 1.983 55.046 53.050 0.022 0.000 0.853 65 N CB -0.615 37.889 38.487 0.029 0.000 1.008 65 N HN 0.801 nan 8.380 nan 0.000 0.424 66 S N 0.134 115.852 115.700 0.030 0.000 2.402 66 S HA -0.126 4.354 4.470 0.017 0.000 0.233 66 S C 2.083 176.723 174.600 0.068 0.000 1.030 66 S CA 1.327 59.556 58.200 0.048 0.000 1.003 66 S CB -0.828 62.403 63.200 0.051 0.000 0.813 66 S HN 0.090 nan 8.310 nan 0.000 0.477 67 V N 2.764 122.711 119.914 0.053 0.000 2.407 67 V HA -0.058 4.072 4.120 0.017 0.000 0.248 67 V C 2.267 178.418 176.094 0.095 0.000 1.055 67 V CA 1.848 64.202 62.300 0.090 0.000 1.049 67 V CB -0.922 30.901 31.823 0.000 0.000 0.662 67 V HN 0.843 nan 8.190 nan 0.000 0.455 68 I N -2.541 118.023 120.570 -0.010 0.000 3.928 68 I HA 0.235 4.415 4.170 0.017 0.000 0.335 68 I C 1.892 178.064 176.117 0.092 0.000 1.325 68 I CA 0.473 61.771 61.300 -0.003 0.000 1.107 68 I CB -0.213 37.659 38.000 -0.214 0.000 1.014 68 I HN 0.219 nan 8.210 nan 0.000 0.400 69 E N 1.598 121.852 120.200 0.089 0.000 2.038 69 E HA -0.262 4.098 4.350 0.017 0.000 0.195 69 E C 2.082 178.743 176.600 0.103 0.000 1.000 69 E CA 1.798 58.251 56.400 0.087 0.000 0.803 69 E CB -0.003 29.736 29.700 0.065 0.000 0.750 69 E HN 0.545 nan 8.360 nan 0.000 0.448 70 L N 0.663 121.948 121.223 0.103 0.000 2.093 70 L HA -0.017 4.333 4.340 0.017 0.000 0.208 70 L C 2.223 179.151 176.870 0.098 0.000 1.085 70 L CA 2.034 56.918 54.840 0.073 0.000 0.755 70 L CB -0.762 41.321 42.059 0.040 0.000 0.904 70 L HN 0.198 nan 8.230 nan 0.000 0.435 71 A N -0.451 122.492 122.820 0.204 0.000 1.908 71 A HA -0.206 4.124 4.320 0.017 0.000 0.218 71 A C 2.278 180.095 177.584 0.388 0.000 1.181 71 A CA 2.128 54.392 52.037 0.378 0.000 0.627 71 A CB -0.893 18.397 19.000 0.483 0.000 0.818 71 A HN 0.495 nan 8.150 nan 0.000 0.445 72 L N -0.973 120.429 121.223 0.298 0.000 2.017 72 L HA -0.171 4.179 4.340 0.017 0.000 0.208 72 L C 2.859 179.962 176.870 0.389 0.000 1.073 72 L CA 1.827 56.884 54.840 0.362 0.000 0.745 72 L CB -1.026 41.200 42.059 0.279 0.000 0.894 72 L HN 0.357 nan 8.230 nan 0.000 0.432 73 T N -0.280 114.414 114.554 0.233 0.000 2.665 73 T HA -0.191 4.169 4.350 0.017 0.000 0.268 73 T C 1.710 176.530 174.700 0.200 0.000 1.035 73 T CA 1.743 63.954 62.100 0.185 0.000 1.151 73 T CB -0.301 68.618 68.868 0.086 0.000 0.862 73 T HN 0.287 nan 8.240 nan 0.000 0.438 74 N N 1.196 119.960 118.700 0.106 0.000 2.188 74 N HA 0.036 4.786 4.740 0.017 0.000 0.184 74 N C 2.121 177.798 175.510 0.279 0.000 1.018 74 N CA 1.195 54.256 53.050 0.019 0.000 0.858 74 N CB -0.661 37.502 38.487 -0.540 0.000 0.989 74 N HN 0.433 nan 8.380 nan 0.000 0.426 75 A N 0.385 123.466 122.820 0.436 0.000 1.883 75 A HA -0.125 4.205 4.320 0.017 0.000 0.217 75 A C 1.997 179.642 177.584 0.100 0.000 1.186 75 A CA 1.208 53.442 52.037 0.328 0.000 0.624 75 A CB -0.960 18.169 19.000 0.214 0.000 0.822 75 A HN 0.232 nan 8.150 nan 0.000 0.444 76 F N -0.668 119.402 119.950 0.201 0.000 2.259 76 F HA -0.066 4.478 4.527 0.027 0.000 0.298 76 F C 2.373 178.271 175.800 0.163 0.000 1.088 76 F CA 1.111 59.205 58.000 0.156 0.000 1.358 76 F CB -0.254 38.819 39.000 0.123 0.000 1.040 76 F HN 0.021 nan 8.300 nan 0.000 0.505 77 V N -0.719 119.389 119.914 0.323 0.000 2.343 77 V HA -0.255 3.875 4.120 0.017 0.000 0.247 77 V C 2.238 178.535 176.094 0.338 0.000 1.051 77 V CA 1.549 64.030 62.300 0.301 0.000 1.036 77 V CB -0.586 31.394 31.823 0.263 0.000 0.654 77 V HN 0.139 nan 8.190 nan 0.000 0.451 78 V N -1.187 118.919 119.914 0.320 0.000 2.358 78 V HA -0.288 3.842 4.120 0.017 0.000 0.246 78 V C 2.528 178.697 176.094 0.125 0.000 1.047 78 V CA 2.043 64.496 62.300 0.254 0.000 1.035 78 V CB -0.665 31.325 31.823 0.279 0.000 0.658 78 V HN 0.760 nan 8.190 nan 0.000 0.452 79 c N 0.208 118.854 118.600 0.077 0.000 2.413 79 c HA -0.215 4.365 4.570 0.017 0.000 0.276 79 c C 2.840 176.966 174.090 0.059 0.000 1.236 79 c CA 1.959 58.294 56.329 0.009 0.000 1.735 79 c CB -0.754 41.710 42.510 -0.076 0.000 2.031 79 c HN 0.740 nan 8.230 nan 0.000 0.474 80 E N -1.390 118.893 120.200 0.138 0.000 2.051 80 E HA -0.261 4.099 4.350 0.017 0.000 0.192 80 E C 2.062 178.744 176.600 0.136 0.000 0.991 80 E CA 1.649 58.135 56.400 0.143 0.000 0.799 80 E CB -0.544 29.265 29.700 0.181 0.000 0.748 80 E HN 0.790 nan 8.360 nan 0.000 0.449 81 Y N 0.924 121.229 120.300 0.008 0.000 2.097 81 Y HA -0.231 4.328 4.550 0.015 0.000 0.282 81 Y C 2.008 177.840 175.900 -0.114 0.000 1.152 81 Y CA 1.651 59.702 58.100 -0.082 0.000 1.136 81 Y CB -0.708 37.578 38.460 -0.289 0.000 0.975 81 Y HN -0.063 nan 8.280 nan 0.000 0.498 82 V N 0.211 119.914 119.914 -0.351 0.000 2.307 82 V HA -0.285 3.845 4.120 0.017 0.000 0.245 82 V C 2.543 178.505 176.094 -0.219 0.000 1.045 82 V CA 2.688 64.743 62.300 -0.408 0.000 1.024 82 V CB -1.331 30.329 31.823 -0.272 0.000 0.651 82 V HN 0.693 nan 8.190 nan 0.000 0.449 83 T N -2.959 111.530 114.554 -0.109 0.000 3.054 83 T HA 0.246 4.606 4.350 0.017 0.000 0.259 83 T C 1.610 176.289 174.700 -0.035 0.000 1.092 83 T CA 1.155 63.220 62.100 -0.058 0.000 1.121 83 T CB 0.549 69.406 68.868 -0.019 0.000 0.912 83 T HN 1.017 nan 8.240 nan 0.000 0.489 84 G N 1.004 109.793 108.800 -0.019 0.000 2.176 84 G HA2 -0.174 3.796 3.960 0.017 0.000 0.253 84 G HA3 -0.174 3.796 3.960 0.017 0.000 0.253 84 G C 0.196 175.117 174.900 0.035 0.000 0.979 84 G CA 0.347 45.453 45.100 0.010 0.000 0.641 84 G HN 1.569 nan 8.290 nan 0.000 0.530 85 S N -0.911 114.816 115.700 0.044 0.000 2.579 85 S HA 0.585 5.066 4.470 0.017 0.000 0.272 85 S C -0.964 173.684 174.600 0.080 0.000 1.141 85 S CA -0.237 57.997 58.200 0.057 0.000 0.843 85 S CB 2.477 65.704 63.200 0.045 0.000 1.122 85 S HN 0.358 nan 8.310 nan 0.000 0.468 86 D N 0.044 120.496 120.400 0.087 0.000 2.493 86 D HA 0.062 4.712 4.640 0.017 0.000 0.240 86 D C 0.450 176.828 176.300 0.129 0.000 1.142 86 D CA -0.082 53.985 54.000 0.112 0.000 0.872 86 D CB 0.630 41.483 40.800 0.089 0.000 1.173 86 D HN 0.610 nan 8.370 nan 0.000 0.467 87 c N 3.526 122.245 118.600 0.198 0.000 2.791 87 c HA 0.367 4.947 4.570 0.017 0.000 0.270 87 c C 1.603 175.862 174.090 0.282 0.000 1.257 87 c CA 0.093 56.565 56.329 0.239 0.000 1.699 87 c CB -1.244 41.429 42.510 0.272 0.000 1.904 87 c HN 0.892 nan 8.230 nan 0.000 0.603 88 G N 1.813 110.723 108.800 0.184 0.000 2.622 88 G HA2 -0.358 3.612 3.960 0.017 0.000 0.307 88 G HA3 -0.358 3.612 3.960 0.017 0.000 0.307 88 G C 0.187 175.077 174.900 -0.018 0.000 1.226 88 G CA 1.025 46.171 45.100 0.077 0.000 0.997 88 G HN 0.443 nan 8.290 nan 0.000 0.551 89 D N 0.256 120.662 120.400 0.011 0.000 2.772 89 D HA 0.493 5.143 4.640 0.017 0.000 0.272 89 D C -0.094 176.335 176.300 0.216 0.000 1.314 89 D CA 0.824 54.791 54.000 -0.055 0.000 0.835 89 D CB -0.102 40.647 40.800 -0.085 0.000 1.080 89 D HN 0.491 nan 8.370 nan 0.000 0.482 90 S N 0.906 116.837 115.700 0.385 0.000 2.524 90 S HA 0.292 4.772 4.470 0.017 0.000 0.227 90 S C -0.902 173.867 174.600 0.280 0.000 1.304 90 S CA -0.731 57.648 58.200 0.298 0.000 1.185 90 S CB -0.034 63.264 63.200 0.164 0.000 1.104 90 S HN 0.253 nan 8.310 nan 0.000 0.475 91 L N 6.596 127.935 121.223 0.192 0.000 2.534 91 L HA 0.208 4.558 4.340 0.017 0.000 0.271 91 L C 1.344 178.184 176.870 -0.049 0.000 1.178 91 L CA 0.672 55.406 54.840 -0.175 0.000 0.907 91 L CB 0.518 42.366 42.059 -0.353 0.000 1.164 91 L HN 0.545 nan 8.230 nan 0.000 0.482 92 V N 3.868 123.753 119.914 -0.048 0.000 2.255 92 V HA -0.200 3.930 4.120 0.017 0.000 0.247 92 V C 0.750 176.834 176.094 -0.017 0.000 1.051 92 V CA 2.128 64.421 62.300 -0.011 0.000 1.018 92 V CB -0.975 30.842 31.823 -0.009 0.000 0.641 92 V HN 1.087 nan 8.190 nan 0.000 0.445 93 N N -2.831 115.845 118.700 -0.038 0.000 3.106 93 N HA 0.285 5.035 4.740 0.017 0.000 0.253 93 N C -0.196 175.290 175.510 -0.040 0.000 1.506 93 N CA -0.750 52.283 53.050 -0.028 0.000 0.876 93 N CB 0.863 39.340 38.487 -0.017 0.000 1.452 93 N HN -0.078 nan 8.380 nan 0.000 0.542 94 L N -0.558 120.650 121.223 -0.025 0.000 2.179 94 L HA 0.037 4.387 4.340 0.017 0.000 0.208 94 L C 1.587 178.440 176.870 -0.029 0.000 1.096 94 L CA 1.172 55.997 54.840 -0.025 0.000 0.779 94 L CB -0.558 41.496 42.059 -0.009 0.000 0.922 94 L HN 0.682 nan 8.230 nan 0.000 0.443 95 T N 1.451 115.992 114.554 -0.021 0.000 2.759 95 T HA -0.161 4.199 4.350 0.017 0.000 0.269 95 T C 1.786 176.469 174.700 -0.029 0.000 1.042 95 T CA 1.679 63.769 62.100 -0.017 0.000 1.140 95 T CB -0.323 68.542 68.868 -0.005 0.000 0.864 95 T HN 0.313 nan 8.240 nan 0.000 0.455 96 L N 0.153 121.352 121.223 -0.040 0.000 2.353 96 L HA 0.137 4.487 4.340 0.017 0.000 0.220 96 L C 1.922 178.766 176.870 -0.044 0.000 1.133 96 L CA 1.390 56.198 54.840 -0.054 0.000 0.798 96 L CB -1.249 40.771 42.059 -0.066 0.000 0.922 96 L HN 0.160 nan 8.230 nan 0.000 0.445 97 L N 0.366 121.564 121.223 -0.043 0.000 2.456 97 L HA -0.021 4.329 4.340 0.017 0.000 0.224 97 L C 2.440 179.282 176.870 -0.047 0.000 1.148 97 L CA 0.728 55.542 54.840 -0.044 0.000 0.825 97 L CB -0.644 41.352 42.059 -0.105 0.000 0.937 97 L HN 0.490 nan 8.230 nan 0.000 0.450 98 A N -0.504 122.289 122.820 -0.046 0.000 2.302 98 A HA 0.002 4.332 4.320 0.017 0.000 0.219 98 A C 0.762 178.313 177.584 -0.055 0.000 1.243 98 A CA -0.225 51.786 52.037 -0.043 0.000 0.856 98 A CB -0.423 18.562 19.000 -0.025 0.000 0.893 98 A HN 0.249 nan 8.150 nan 0.000 0.491 99 E N 2.419 122.588 120.200 -0.052 0.000 2.498 99 E HA 0.094 4.454 4.350 0.017 0.000 0.252 99 E C -2.234 174.330 176.600 -0.060 0.000 1.025 99 E CA -1.776 54.575 56.400 -0.082 0.000 0.938 99 E CB 0.382 30.043 29.700 -0.066 0.000 0.947 99 E HN 0.313 nan 8.360 nan 0.000 0.478 100 P HA 0.024 nan 4.420 nan 0.000 0.274 100 P C -0.690 176.608 177.300 -0.002 0.000 1.246 100 P CA 0.010 62.968 63.100 -0.238 0.000 0.795 100 P CB 0.280 31.530 31.700 -0.749 0.000 1.006 101 H N -1.192 117.869 119.070 -0.015 0.000 2.692 101 H HA -0.184 4.381 4.556 0.016 0.000 0.316 101 H C 0.551 175.990 175.328 0.184 0.000 1.176 101 H CA 0.145 56.183 56.048 -0.016 0.000 1.142 101 H CB -1.376 28.281 29.762 -0.175 0.000 1.475 101 H HN 0.638 nan 8.280 nan 0.000 0.423 102 A N -0.004 123.028 122.820 0.354 0.000 2.254 102 A HA 0.358 4.688 4.320 0.017 0.000 0.186 102 A C 0.712 178.565 177.584 0.449 0.000 1.413 102 A CA 0.046 52.382 52.037 0.498 0.000 1.742 102 A CB -0.398 18.824 19.000 0.370 0.000 2.016 102 A HN 0.116 nan 8.150 nan 0.000 0.796 103 F N 1.226 121.331 119.950 0.259 0.000 2.147 103 F HA 0.242 4.776 4.527 0.012 0.000 0.291 103 F C 1.061 176.972 175.800 0.185 0.000 1.093 103 F CA 1.089 59.214 58.000 0.209 0.000 1.263 103 F CB -0.194 38.916 39.000 0.185 0.000 1.036 103 F HN 0.382 nan 8.300 nan 0.000 0.481 104 E N 1.160 121.537 120.200 0.296 0.000 2.413 104 E HA 0.040 4.400 4.350 0.017 0.000 0.263 104 E C -1.132 175.542 176.600 0.123 0.000 1.015 104 E CA 0.317 56.753 56.400 0.060 0.000 0.916 104 E CB 0.348 30.036 29.700 -0.021 0.000 0.947 104 E HN 0.573 nan 8.360 nan 0.000 0.440 105 H N 0.122 119.229 119.070 0.062 0.000 2.990 105 H HA 0.420 4.986 4.556 0.016 0.000 0.343 105 H C -0.793 174.493 175.328 -0.069 0.000 1.270 105 H CA -1.014 55.032 56.048 -0.003 0.000 1.118 105 H CB 0.431 30.141 29.762 -0.087 0.000 1.861 105 H HN 0.193 nan 8.280 nan 0.000 0.544 106 D N 0.103 120.535 120.400 0.053 0.000 2.384 106 D HA 0.081 4.731 4.640 0.017 0.000 0.244 106 D C 0.247 176.420 176.300 -0.212 0.000 1.251 106 D CA 1.022 55.045 54.000 0.037 0.000 0.961 106 D CB -0.097 40.741 40.800 0.064 0.000 1.116 106 D HN 1.062 nan 8.370 nan 0.000 0.484 107 H N -2.796 116.437 119.070 0.272 0.000 2.713 107 H HA -0.159 4.407 4.556 0.017 0.000 0.311 107 H C -0.623 174.763 175.328 0.096 0.000 1.175 107 H CA 0.584 56.769 56.048 0.227 0.000 1.143 107 H CB -2.374 27.571 29.762 0.306 0.000 1.434 107 H HN 0.033 nan 8.280 nan 0.000 0.418 108 S N -0.497 115.216 115.700 0.021 0.000 2.584 108 S HA 0.183 4.663 4.470 0.017 0.000 0.270 108 S C 1.134 175.770 174.600 0.060 0.000 1.346 108 S CA -0.097 58.087 58.200 -0.028 0.000 1.018 108 S CB 0.193 63.349 63.200 -0.073 0.000 0.899 108 S HN 0.369 nan 8.310 nan 0.000 0.542 109 F N 1.135 121.288 119.950 0.338 0.000 2.325 109 F HA -0.004 4.532 4.527 0.015 0.000 0.299 109 F C 2.275 178.288 175.800 0.355 0.000 1.090 109 F CA 0.957 59.204 58.000 0.411 0.000 1.392 109 F CB -0.121 39.256 39.000 0.629 0.000 1.053 109 F HN 0.634 nan 8.300 nan 0.000 0.521 110 S N -2.315 113.619 115.700 0.390 0.000 2.820 110 S HA 0.397 4.877 4.470 0.017 0.000 0.265 110 S C 0.173 174.687 174.600 -0.143 0.000 1.043 110 S CA -0.628 57.652 58.200 0.133 0.000 1.245 110 S CB 0.294 63.583 63.200 0.148 0.000 1.187 110 S HN -0.009 nan 8.310 nan 0.000 0.673 111 R N 1.833 122.299 120.500 -0.057 0.000 2.740 111 R HA 0.618 4.968 4.340 0.017 0.000 0.282 111 R C -0.743 175.526 176.300 -0.052 0.000 0.969 111 R CA -0.557 55.480 56.100 -0.105 0.000 0.918 111 R CB 1.038 31.284 30.300 -0.091 0.000 1.175 111 R HN 0.191 nan 8.270 nan 0.000 0.464 112 K N 0.927 121.288 120.400 -0.065 0.000 2.219 112 K HA 0.154 4.484 4.320 0.017 0.000 0.258 112 K C -0.434 176.175 176.600 0.016 0.000 1.008 112 K CA -0.411 55.863 56.287 -0.022 0.000 0.928 112 K CB 0.441 32.911 32.500 -0.050 0.000 0.983 112 K HN 0.435 nan 8.250 nan 0.000 0.484 113 D N 0.398 120.835 120.400 0.063 0.000 2.329 113 D HA -0.017 4.633 4.640 0.017 0.000 0.246 113 D C 0.746 177.048 176.300 0.004 0.000 1.111 113 D CA -0.079 53.993 54.000 0.119 0.000 0.941 113 D CB 0.424 41.386 40.800 0.270 0.000 1.169 113 D HN 0.433 nan 8.370 nan 0.000 0.441 114 Y N 1.178 121.360 120.300 -0.196 0.000 2.193 114 Y HA -0.192 4.368 4.550 0.017 0.000 0.285 114 Y C 1.194 176.734 175.900 -0.601 0.000 1.166 114 Y CA 1.697 59.542 58.100 -0.426 0.000 1.181 114 Y CB 0.306 38.398 38.460 -0.613 0.000 0.976 114 Y HN 0.217 nan 8.280 nan 0.000 0.520 115 K N 0.619 120.526 120.400 -0.821 0.000 2.726 115 K HA 0.082 4.412 4.320 0.017 0.000 0.209 115 K C -0.285 176.193 176.600 -0.205 0.000 1.082 115 K CA -0.206 55.712 56.287 -0.615 0.000 1.081 115 K CB 0.491 32.526 32.500 -0.774 0.000 0.830 115 K HN 0.239 nan 8.250 nan 0.000 0.470 116 Q N 0.613 120.338 119.800 -0.125 0.000 2.271 116 Q HA 0.062 4.412 4.340 0.017 0.000 0.273 116 Q C 0.670 176.661 176.000 -0.014 0.000 1.051 116 Q CA 0.773 56.576 55.803 0.000 0.000 0.901 116 Q CB 0.358 29.107 28.738 0.018 0.000 1.174 116 Q HN 0.575 nan 8.270 nan 0.000 0.385 117 G N 2.716 111.536 108.800 0.034 0.000 2.203 117 G HA2 -0.274 3.696 3.960 0.017 0.000 0.263 117 G HA3 -0.274 3.696 3.960 0.017 0.000 0.263 117 G C 0.044 174.955 174.900 0.018 0.000 1.012 117 G CA 0.350 45.464 45.100 0.024 0.000 0.749 117 G HN 0.955 nan 8.290 nan 0.000 0.512 118 V N -2.854 117.083 119.914 0.038 0.000 2.607 118 V HA 0.828 4.958 4.120 0.017 0.000 0.289 118 V C 1.322 177.495 176.094 0.131 0.000 1.053 118 V CA 0.394 62.699 62.300 0.008 0.000 0.996 118 V CB 1.210 32.966 31.823 -0.113 0.000 0.995 118 V HN 1.223 nan 8.190 nan 0.000 0.476 119 A N 3.838 126.697 122.820 0.064 0.000 2.016 119 A HA 0.160 4.490 4.320 0.017 0.000 0.217 119 A C 0.942 178.624 177.584 0.163 0.000 1.162 119 A CA 0.908 53.011 52.037 0.109 0.000 0.662 119 A CB -0.756 18.267 19.000 0.038 0.000 0.812 119 A HN 0.933 nan 8.150 nan 0.000 0.450 120 N N -1.558 117.148 118.700 0.010 0.000 2.269 120 N HA 0.332 5.082 4.740 0.017 0.000 0.304 120 N C 0.874 176.064 175.510 -0.533 0.000 1.072 120 N CA 0.335 53.322 53.050 -0.104 0.000 0.802 120 N CB 1.824 40.259 38.487 -0.087 0.000 1.348 120 N HN 0.129 nan 8.380 nan 0.000 0.484 121 S N 1.330 116.547 115.700 -0.805 0.000 2.402 121 S HA -0.215 4.265 4.470 0.017 0.000 0.233 121 S C 0.930 175.205 174.600 -0.543 0.000 1.030 121 S CA 1.378 58.839 58.200 -1.231 0.000 1.003 121 S CB -0.388 62.494 63.200 -0.530 0.000 0.813 121 S HN 0.625 nan 8.310 nan 0.000 0.477 122 N N 1.078 119.608 118.700 -0.283 0.000 2.422 122 N HA 0.083 4.833 4.740 0.017 0.000 0.181 122 N C -0.640 174.818 175.510 -0.087 0.000 1.080 122 N CA 0.104 53.089 53.050 -0.107 0.000 0.893 122 N CB 0.093 38.558 38.487 -0.036 0.000 0.973 122 N HN 0.415 nan 8.380 nan 0.000 0.456 123 D N 0.505 120.780 120.400 -0.208 0.000 2.378 123 D HA 0.084 4.734 4.640 0.017 0.000 0.238 123 D C -0.246 175.893 176.300 -0.269 0.000 1.180 123 D CA 0.576 54.424 54.000 -0.254 0.000 0.895 123 D CB 0.502 41.141 40.800 -0.270 0.000 1.192 123 D HN 0.111 nan 8.370 nan 0.000 0.438 124 F N -1.222 118.433 119.950 -0.491 0.000 2.662 124 F HA 0.659 5.196 4.527 0.017 0.000 0.312 124 F C -0.882 174.585 175.800 -0.555 0.000 1.113 124 F CA -1.206 56.309 58.000 -0.807 0.000 0.951 124 F CB 0.859 38.977 39.000 -1.470 0.000 1.344 124 F HN 0.288 nan 8.300 nan 0.000 0.462 125 I N -1.853 118.478 120.570 -0.399 0.000 3.457 125 I HA 0.582 4.762 4.170 0.017 0.000 0.307 125 I C -1.136 174.923 176.117 -0.096 0.000 1.138 125 I CA -1.014 60.128 61.300 -0.262 0.000 0.974 125 I CB 1.770 39.639 38.000 -0.218 0.000 1.324 125 I HN 0.601 nan 8.210 nan 0.000 0.485 126 D N 2.716 123.074 120.400 -0.070 0.000 2.348 126 D HA 0.043 4.693 4.640 0.017 0.000 0.259 126 D C 0.111 176.404 176.300 -0.012 0.000 1.296 126 D CA 0.054 54.047 54.000 -0.011 0.000 0.931 126 D CB 0.092 40.876 40.800 -0.028 0.000 1.067 126 D HN 0.661 nan 8.370 nan 0.000 0.503 127 N N 3.345 122.069 118.700 0.041 0.000 2.276 127 N HA -0.008 4.742 4.740 0.017 0.000 0.212 127 N C 1.016 176.524 175.510 -0.004 0.000 1.127 127 N CA -0.174 52.894 53.050 0.030 0.000 0.834 127 N CB 0.354 38.906 38.487 0.107 0.000 1.014 127 N HN 0.401 nan 8.380 nan 0.000 0.491 128 R N 0.020 120.516 120.500 -0.007 0.000 2.144 128 R HA 0.218 4.568 4.340 0.017 0.000 0.195 128 R C -0.225 176.051 176.300 -0.039 0.000 1.077 128 R CA -0.133 55.954 56.100 -0.021 0.000 1.120 128 R CB 0.139 30.444 30.300 0.008 0.000 1.060 128 R HN 0.017 nan 8.270 nan 0.000 0.520 129 N N 1.204 119.887 118.700 -0.027 0.000 2.508 129 N HA -0.049 4.701 4.740 0.017 0.000 0.264 129 N C -0.738 174.682 175.510 -0.151 0.000 1.216 129 N CA 0.001 53.033 53.050 -0.030 0.000 0.943 129 N CB 0.363 38.871 38.487 0.036 0.000 1.113 129 N HN 0.035 nan 8.380 nan 0.000 0.447 130 F N 1.216 120.901 119.950 -0.441 0.000 2.623 130 F HA -0.101 4.436 4.527 0.017 0.000 0.383 130 F C 0.460 175.940 175.800 -0.534 0.000 1.077 130 F CA 0.128 57.752 58.000 -0.626 0.000 1.268 130 F CB 0.249 38.629 39.000 -1.033 0.000 1.053 130 F HN 0.396 nan 8.300 nan 0.000 0.571 131 D N 5.096 124.818 120.400 -1.131 0.000 2.471 131 D HA 0.476 5.126 4.640 0.017 0.000 0.245 131 D C 0.557 176.264 176.300 -0.988 0.000 1.116 131 D CA 0.052 53.584 54.000 -0.779 0.000 0.853 131 D CB 1.597 42.160 40.800 -0.394 0.000 1.123 131 D HN 0.652 nan 8.370 nan 0.000 0.540 132 A N 3.938 126.340 122.820 -0.697 0.000 1.908 132 A HA -0.214 4.116 4.320 0.017 0.000 0.218 132 A C 1.918 179.404 177.584 -0.162 0.000 1.181 132 A CA 1.268 53.123 52.037 -0.304 0.000 0.627 132 A CB -0.444 18.578 19.000 0.037 0.000 0.818 132 A HN 0.683 nan 8.150 nan 0.000 0.445 133 E N -0.272 119.837 120.200 -0.153 0.000 2.051 133 E HA -0.160 4.200 4.350 0.017 0.000 0.192 133 E C 2.047 178.595 176.600 -0.086 0.000 0.991 133 E CA 1.883 58.227 56.400 -0.093 0.000 0.799 133 E CB -0.424 29.230 29.700 -0.078 0.000 0.748 133 E HN 0.542 nan 8.360 nan 0.000 0.449 134 T N 1.074 115.558 114.554 -0.116 0.000 2.708 134 T HA -0.154 4.206 4.350 0.017 0.000 0.266 134 T C 1.516 176.231 174.700 0.025 0.000 1.037 134 T CA 1.337 63.406 62.100 -0.051 0.000 1.146 134 T CB -0.513 68.312 68.868 -0.071 0.000 0.865 134 T HN 0.172 nan 8.240 nan 0.000 0.435 135 F N 2.034 121.849 119.950 -0.225 0.000 2.171 135 F HA -0.057 4.481 4.527 0.018 0.000 0.300 135 F C 2.450 178.177 175.800 -0.123 0.000 1.090 135 F CA 1.011 58.918 58.000 -0.156 0.000 1.293 135 F CB -0.629 38.278 39.000 -0.155 0.000 1.013 135 F HN 0.025 nan 8.300 nan 0.000 0.486 136 Q N 0.139 119.852 119.800 -0.144 0.000 2.170 136 Q HA -0.146 4.205 4.340 0.017 0.000 0.203 136 Q C 2.325 178.225 176.000 -0.167 0.000 0.976 136 Q CA 2.274 57.952 55.803 -0.208 0.000 0.858 136 Q CB -0.739 27.933 28.738 -0.108 0.000 0.907 136 Q HN 0.538 nan 8.270 nan 0.000 0.433 137 T N -3.345 111.157 114.554 -0.086 0.000 2.867 137 T HA -0.047 4.313 4.350 0.017 0.000 0.268 137 T C 1.974 176.659 174.700 -0.026 0.000 1.057 137 T CA 1.427 63.504 62.100 -0.038 0.000 1.136 137 T CB -0.311 68.560 68.868 0.005 0.000 0.874 137 T HN 0.124 nan 8.240 nan 0.000 0.466 138 S N 1.364 117.044 115.700 -0.033 0.000 2.357 138 S HA 0.222 4.702 4.470 0.017 0.000 0.221 138 S C 1.949 176.453 174.600 -0.161 0.000 1.031 138 S CA 0.836 59.041 58.200 0.007 0.000 0.982 138 S CB -0.452 62.842 63.200 0.158 0.000 0.853 138 S HN 0.421 nan 8.310 nan 0.000 0.458 139 L N 1.455 122.437 121.223 -0.401 0.000 2.083 139 L HA -0.137 4.213 4.340 0.017 0.000 0.209 139 L C 1.994 178.750 176.870 -0.190 0.000 1.083 139 L CA 0.987 55.594 54.840 -0.388 0.000 0.752 139 L CB -0.653 41.072 42.059 -0.557 0.000 0.899 139 L HN 0.179 nan 8.230 nan 0.000 0.433 140 D N -0.241 120.068 120.400 -0.151 0.000 2.182 140 D HA -0.149 4.501 4.640 0.017 0.000 0.201 140 D C 2.278 178.542 176.300 -0.060 0.000 0.986 140 D CA 0.994 54.942 54.000 -0.087 0.000 0.847 140 D CB -0.107 40.653 40.800 -0.067 0.000 0.942 140 D HN 0.103 nan 8.370 nan 0.000 0.467 141 V N 0.541 120.418 119.914 -0.060 0.000 2.490 141 V HA -0.162 3.968 4.120 0.017 0.000 0.250 141 V C 1.951 178.013 176.094 -0.054 0.000 1.061 141 V CA 1.504 63.776 62.300 -0.046 0.000 1.064 141 V CB -0.375 31.424 31.823 -0.041 0.000 0.670 141 V HN 0.207 nan 8.190 nan 0.000 0.461 142 V N -2.131 117.740 119.914 -0.071 0.000 2.982 142 V HA 0.702 4.832 4.120 0.017 0.000 0.368 142 V C 0.647 176.740 176.094 -0.002 0.000 1.350 142 V CA -0.505 61.775 62.300 -0.032 0.000 1.251 142 V CB -0.426 31.367 31.823 -0.051 0.000 1.284 142 V HN 0.229 nan 8.190 nan 0.000 0.533 143 A N 0.775 123.584 122.820 -0.020 0.000 2.531 143 A HA 0.505 4.835 4.320 0.017 0.000 0.236 143 A C 1.696 179.283 177.584 0.005 0.000 1.062 143 A CA 0.933 52.961 52.037 -0.016 0.000 0.760 143 A CB -0.492 18.493 19.000 -0.024 0.000 0.995 143 A HN 2.110 nan 8.150 nan 0.000 0.501 144 G N 1.230 110.036 108.800 0.009 0.000 2.179 144 G HA2 -0.232 3.738 3.960 0.017 0.000 0.260 144 G HA3 -0.232 3.738 3.960 0.017 0.000 0.260 144 G C 0.180 175.099 174.900 0.033 0.000 0.977 144 G CA 0.927 46.038 45.100 0.018 0.000 0.641 144 G HN 0.890 nan 8.290 nan 0.000 0.533 145 K N -0.429 120.000 120.400 0.048 0.000 2.208 145 K HA 0.633 4.963 4.320 0.017 0.000 0.247 145 K C 1.479 178.127 176.600 0.080 0.000 0.953 145 K CA -0.106 56.227 56.287 0.075 0.000 0.837 145 K CB 1.466 34.031 32.500 0.107 0.000 1.131 145 K HN 0.174 nan 8.250 nan 0.000 0.431 146 T N -2.511 112.104 114.554 0.103 0.000 3.040 146 T HA 0.107 4.467 4.350 0.017 0.000 0.252 146 T C 0.258 174.924 174.700 -0.057 0.000 1.064 146 T CA 0.500 62.636 62.100 0.059 0.000 1.110 146 T CB -0.076 68.870 68.868 0.131 0.000 0.921 146 T HN 0.511 nan 8.240 nan 0.000 0.480 147 H N 0.282 119.334 119.070 -0.031 0.000 2.928 147 H HA 0.655 5.221 4.556 0.017 0.000 0.371 147 H C -1.182 174.173 175.328 0.045 0.000 1.186 147 H CA -1.415 54.573 56.048 -0.100 0.000 1.134 147 H CB 1.637 31.309 29.762 -0.151 0.000 1.824 147 H HN 0.354 nan 8.280 nan 0.000 0.554 148 F N -0.778 119.192 119.950 0.034 0.000 2.645 148 F HA 0.602 5.139 4.527 0.017 0.000 0.310 148 F C -1.184 174.653 175.800 0.061 0.000 1.102 148 F CA -1.129 56.888 58.000 0.029 0.000 0.952 148 F CB 1.212 40.216 39.000 0.006 0.000 1.326 148 F HN 0.520 nan 8.300 nan 0.000 0.456 149 D N 0.194 120.827 120.400 0.389 0.000 2.616 149 D HA 0.265 4.916 4.640 0.017 0.000 0.260 149 D C 0.625 177.210 176.300 0.476 0.000 1.158 149 D CA -0.451 53.715 54.000 0.276 0.000 1.085 149 D CB 0.046 40.903 40.800 0.094 0.000 1.222 149 D HN 0.481 nan 8.370 nan 0.000 0.626 150 Y N -0.190 120.239 120.300 0.214 0.000 2.165 150 Y HA -0.053 4.507 4.550 0.016 0.000 0.286 150 Y C 2.670 178.654 175.900 0.141 0.000 1.155 150 Y CA 1.684 59.816 58.100 0.054 0.000 1.164 150 Y CB -1.251 37.114 38.460 -0.158 0.000 0.978 150 Y HN 0.548 nan 8.280 nan 0.000 0.513 151 A N 0.054 123.040 122.820 0.276 0.000 1.902 151 A HA -0.187 4.143 4.320 0.017 0.000 0.217 151 A C 2.020 179.707 177.584 0.171 0.000 1.181 151 A CA 1.964 54.109 52.037 0.180 0.000 0.623 151 A CB -0.701 18.376 19.000 0.128 0.000 0.818 151 A HN 0.388 nan 8.150 nan 0.000 0.443 152 D N -0.857 119.668 120.400 0.209 0.000 2.117 152 D HA -0.160 4.490 4.640 0.017 0.000 0.197 152 D C 1.832 178.168 176.300 0.060 0.000 0.987 152 D CA 1.792 55.867 54.000 0.125 0.000 0.829 152 D CB -0.364 40.538 40.800 0.171 0.000 0.961 152 D HN 0.428 nan 8.370 nan 0.000 0.460 153 M N 1.280 121.026 119.600 0.243 0.000 2.117 153 M HA -0.157 4.333 4.480 0.017 0.000 0.262 153 M C 1.542 177.979 176.300 0.229 0.000 1.065 153 M CA 1.316 56.757 55.300 0.234 0.000 1.114 153 M CB -0.469 32.500 32.600 0.614 0.000 1.361 153 M HN -0.168 nan 8.290 nan 0.000 0.408 154 N N 0.210 119.036 118.700 0.212 0.000 2.104 154 N HA -0.173 4.577 4.740 0.017 0.000 0.190 154 N C 1.501 177.083 175.510 0.121 0.000 1.024 154 N CA 1.671 54.815 53.050 0.156 0.000 0.853 154 N CB -0.193 38.363 38.487 0.114 0.000 1.008 154 N HN 0.440 nan 8.380 nan 0.000 0.424 155 E N 0.248 120.505 120.200 0.094 0.000 2.110 155 E HA -0.136 4.224 4.350 0.017 0.000 0.193 155 E C 2.175 178.822 176.600 0.078 0.000 0.988 155 E CA 0.719 57.157 56.400 0.064 0.000 0.804 155 E CB -0.212 29.512 29.700 0.039 0.000 0.745 155 E HN 0.536 nan 8.360 nan 0.000 0.458 156 I N 1.263 121.890 120.570 0.095 0.000 2.142 156 I HA -0.308 3.872 4.170 0.017 0.000 0.240 156 I C 2.621 178.904 176.117 0.278 0.000 1.078 156 I CA 1.653 63.054 61.300 0.169 0.000 1.343 156 I CB -0.322 37.777 38.000 0.165 0.000 1.046 156 I HN 0.078 nan 8.210 nan 0.000 0.405 157 R N 1.661 122.361 120.500 0.333 0.000 2.120 157 R HA -0.098 4.252 4.340 0.017 0.000 0.234 157 R C 1.938 178.298 176.300 0.098 0.000 1.123 157 R CA 1.429 57.675 56.100 0.243 0.000 0.975 157 R CB -1.161 29.288 30.300 0.249 0.000 0.866 157 R HN 0.301 nan 8.270 nan 0.000 0.446 158 L N 0.240 121.512 121.223 0.082 0.000 2.056 158 L HA -0.115 4.235 4.340 0.017 0.000 0.207 158 L C 2.810 179.693 176.870 0.022 0.000 1.078 158 L CA 1.631 56.486 54.840 0.026 0.000 0.749 158 L CB -0.530 41.544 42.059 0.025 0.000 0.901 158 L HN 0.296 nan 8.230 nan 0.000 0.433 159 Q N -0.050 119.780 119.800 0.049 0.000 2.096 159 Q HA -0.208 4.142 4.340 0.017 0.000 0.204 159 Q C 2.331 178.365 176.000 0.056 0.000 0.982 159 Q CA 1.613 57.442 55.803 0.043 0.000 0.850 159 Q CB 0.061 28.832 28.738 0.054 0.000 0.901 159 Q HN 0.193 nan 8.270 nan 0.000 0.422 160 R N 0.156 120.715 120.500 0.098 0.000 2.090 160 R HA -0.045 4.305 4.340 0.017 0.000 0.228 160 R C 2.098 178.480 176.300 0.138 0.000 1.110 160 R CA 1.398 57.578 56.100 0.133 0.000 0.973 160 R CB -0.375 30.024 30.300 0.165 0.000 0.869 160 R HN 0.522 nan 8.270 nan 0.000 0.440 161 E N 0.832 121.060 120.200 0.047 0.000 2.077 161 E HA -0.155 4.205 4.350 0.017 0.000 0.193 161 E C 2.013 178.540 176.600 -0.122 0.000 0.989 161 E CA 1.807 58.196 56.400 -0.019 0.000 0.800 161 E CB -0.049 29.553 29.700 -0.163 0.000 0.746 161 E HN 0.361 nan 8.360 nan 0.000 0.452 162 S N 1.193 116.836 115.700 -0.095 0.000 2.355 162 S HA -0.136 4.344 4.470 0.017 0.000 0.222 162 S C 2.157 176.690 174.600 -0.112 0.000 1.031 162 S CA 0.697 58.821 58.200 -0.127 0.000 0.993 162 S CB -0.610 62.547 63.200 -0.072 0.000 0.859 162 S HN 0.135 nan 8.310 nan 0.000 0.453 163 L N 1.459 122.660 121.223 -0.038 0.000 2.046 163 L HA -0.095 4.255 4.340 0.017 0.000 0.208 163 L C 2.989 179.859 176.870 -0.001 0.000 1.077 163 L CA 1.541 56.375 54.840 -0.010 0.000 0.747 163 L CB -0.676 41.399 42.059 0.027 0.000 0.896 163 L HN 0.348 nan 8.230 nan 0.000 0.432 164 S N -0.361 115.367 115.700 0.047 0.000 2.355 164 S HA -0.179 4.301 4.470 0.017 0.000 0.222 164 S C 1.762 176.351 174.600 -0.019 0.000 1.031 164 S CA 1.466 59.764 58.200 0.162 0.000 0.993 164 S CB -0.404 63.086 63.200 0.483 0.000 0.859 164 S HN 0.410 nan 8.310 nan 0.000 0.453 165 N N 1.314 119.687 118.700 -0.545 0.000 2.223 165 N HA -0.097 4.654 4.740 0.017 0.000 0.185 165 N C 1.520 176.873 175.510 -0.260 0.000 1.016 165 N CA 1.170 53.746 53.050 -0.791 0.000 0.863 165 N CB -0.120 37.719 38.487 -1.081 0.000 0.983 165 N HN 0.513 nan 8.380 nan 0.000 0.429 166 E N -0.703 119.396 120.200 -0.167 0.000 2.158 166 E HA 0.002 4.362 4.350 0.017 0.000 0.191 166 E C 1.547 178.128 176.600 -0.031 0.000 0.982 166 E CA 0.565 56.914 56.400 -0.085 0.000 0.823 166 E CB 0.152 29.809 29.700 -0.071 0.000 0.766 166 E HN 0.383 nan 8.360 nan 0.000 0.468 167 L N 0.772 121.998 121.223 0.006 0.000 2.463 167 L HA 0.079 4.429 4.340 0.017 0.000 0.219 167 L C 0.227 177.151 176.870 0.089 0.000 1.088 167 L CA -0.119 54.744 54.840 0.038 0.000 0.849 167 L CB 0.223 42.305 42.059 0.039 0.000 1.012 167 L HN -0.075 nan 8.230 nan 0.000 0.468 168 D N 0.474 120.971 120.400 0.162 0.000 2.372 168 D HA 0.036 4.686 4.640 0.017 0.000 0.243 168 D C -0.205 176.246 176.300 0.250 0.000 1.121 168 D CA -0.221 53.939 54.000 0.266 0.000 0.898 168 D CB 0.635 41.740 40.800 0.508 0.000 1.202 168 D HN -0.193 nan 8.370 nan 0.000 0.428 169 F N 2.452 122.483 119.950 0.135 0.000 2.604 169 F HA 0.018 4.555 4.527 0.017 0.000 0.390 169 F C -1.723 174.208 175.800 0.218 0.000 1.053 169 F CA -1.010 57.072 58.000 0.137 0.000 1.256 169 F CB 0.198 39.252 39.000 0.090 0.000 0.996 169 F HN 0.161 nan 8.300 nan 0.000 0.564 170 P HA 0.119 nan 4.420 nan 0.000 0.260 170 P C 0.464 177.846 177.300 0.135 0.000 1.172 170 P CA 1.686 64.685 63.100 -0.168 0.000 0.760 170 P CB 0.352 31.841 31.700 -0.351 0.000 0.773 171 G N 2.514 111.445 108.800 0.218 0.000 2.234 171 G HA2 -0.260 3.710 3.960 0.017 0.000 0.235 171 G HA3 -0.260 3.710 3.960 0.017 0.000 0.235 171 G C 0.985 176.097 174.900 0.353 0.000 0.997 171 G CA 0.117 45.378 45.100 0.268 0.000 0.623 171 G HN 0.567 nan 8.290 nan 0.000 0.514 172 W N 1.098 122.590 121.300 0.319 0.000 2.444 172 W HA 0.334 5.004 4.660 0.016 0.000 0.308 172 W C 1.061 177.808 176.519 0.379 0.000 1.183 172 W CA 0.848 58.403 57.345 0.351 0.000 1.340 172 W CB -0.333 29.319 29.460 0.320 0.000 1.138 172 W HN 0.235 nan 8.180 nan 0.000 0.510 173 F N 3.554 123.635 119.950 0.219 0.000 2.612 173 F HA 0.048 4.585 4.527 0.018 0.000 0.389 173 F C -0.417 175.354 175.800 -0.049 0.000 1.055 173 F CA 1.439 59.518 58.000 0.132 0.000 1.232 173 F CB 0.653 39.763 39.000 0.183 0.000 1.044 173 F HN -0.359 nan 8.300 nan 0.000 0.560 174 T N 6.449 120.462 114.554 -0.901 0.000 2.949 174 T HA 0.137 4.497 4.350 0.017 0.000 0.300 174 T C -0.694 173.504 174.700 -0.837 0.000 0.988 174 T CA -0.722 60.913 62.100 -0.775 0.000 0.993 174 T CB 1.129 69.461 68.868 -0.893 0.000 0.984 174 T HN 0.657 nan 8.240 nan 0.000 0.442 175 E N 1.695 121.562 120.200 -0.554 0.000 2.392 175 E HA 0.265 4.625 4.350 0.017 0.000 0.264 175 E C -0.526 176.031 176.600 -0.071 0.000 1.024 175 E CA -0.025 56.251 56.400 -0.207 0.000 0.903 175 E CB 0.457 30.148 29.700 -0.016 0.000 0.963 175 E HN 0.517 nan 8.360 nan 0.000 0.432 176 S N 3.772 119.575 115.700 0.172 0.000 2.235 176 S HA 0.145 4.625 4.470 0.017 0.000 0.152 176 S C 0.309 174.872 174.600 -0.062 0.000 1.649 176 S CA -0.603 57.548 58.200 -0.080 0.000 1.277 176 S CB 0.684 63.711 63.200 -0.288 0.000 1.299 176 S HN 0.457 nan 8.310 nan 0.000 0.388 177 K N 1.878 122.272 120.400 -0.011 0.000 2.026 177 K HA -0.045 4.285 4.320 0.017 0.000 0.208 177 K C -1.086 175.483 176.600 -0.052 0.000 1.048 177 K CA 1.326 57.607 56.287 -0.011 0.000 0.929 177 K CB -0.753 31.737 32.500 -0.016 0.000 0.713 177 K HN 0.305 nan 8.250 nan 0.000 0.439 178 P HA -0.147 nan 4.420 nan 0.000 0.215 178 P C 1.183 178.431 177.300 -0.088 0.000 1.157 178 P CA 1.245 64.299 63.100 -0.075 0.000 0.863 178 P CB 0.054 31.706 31.700 -0.080 0.000 0.787 179 I N -0.850 119.645 120.570 -0.124 0.000 2.163 179 I HA -0.254 3.926 4.170 0.017 0.000 0.240 179 I C 2.759 178.809 176.117 -0.111 0.000 1.081 179 I CA 1.441 62.682 61.300 -0.097 0.000 1.353 179 I CB -0.751 37.222 38.000 -0.046 0.000 1.054 179 I HN -0.040 nan 8.210 nan 0.000 0.407 180 Q N 1.235 120.855 119.800 -0.300 0.000 2.096 180 Q HA -0.223 4.127 4.340 0.017 0.000 0.204 180 Q C 1.776 177.840 176.000 0.107 0.000 0.982 180 Q CA 1.806 57.546 55.803 -0.105 0.000 0.850 180 Q CB 0.007 28.672 28.738 -0.122 0.000 0.901 180 Q HN 0.479 nan 8.270 nan 0.000 0.422 181 N N -0.511 118.221 118.700 0.052 0.000 2.463 181 N HA -0.052 4.698 4.740 0.017 0.000 0.181 181 N C 1.596 177.128 175.510 0.037 0.000 1.078 181 N CA 0.601 53.713 53.050 0.103 0.000 0.902 181 N CB 0.354 38.885 38.487 0.074 0.000 0.970 181 N HN 0.114 nan 8.380 nan 0.000 0.451 182 V N 1.870 121.744 119.914 -0.065 0.000 2.295 182 V HA -0.224 3.906 4.120 0.017 0.000 0.246 182 V C 2.003 177.842 176.094 -0.424 0.000 1.049 182 V CA 1.710 63.861 62.300 -0.249 0.000 1.024 182 V CB -0.353 31.279 31.823 -0.319 0.000 0.648 182 V HN 0.270 nan 8.190 nan 0.000 0.447 183 E N -0.115 119.972 120.200 -0.188 0.000 2.106 183 E HA -0.153 4.207 4.350 0.017 0.000 0.192 183 E C 2.366 179.212 176.600 0.411 0.000 0.984 183 E CA 1.378 57.843 56.400 0.108 0.000 0.806 183 E CB -0.211 29.734 29.700 0.407 0.000 0.750 183 E HN 0.538 nan 8.360 nan 0.000 0.458 184 S N 0.462 116.422 115.700 0.434 0.000 2.359 184 S HA -0.212 4.269 4.470 0.017 0.000 0.223 184 S C 2.138 177.051 174.600 0.521 0.000 1.039 184 S CA 1.274 59.754 58.200 0.466 0.000 1.042 184 S CB -0.858 62.616 63.200 0.457 0.000 0.915 184 S HN 0.528 nan 8.310 nan 0.000 0.439 185 G N 1.307 110.336 108.800 0.380 0.000 2.469 185 G HA2 -0.201 3.769 3.960 0.017 0.000 0.219 185 G HA3 -0.201 3.769 3.960 0.017 0.000 0.219 185 G C 1.122 176.418 174.900 0.660 0.000 1.150 185 G CA 0.857 46.219 45.100 0.436 0.000 0.763 185 G HN 0.398 nan 8.290 nan 0.000 0.561 186 F N 1.096 121.302 119.950 0.427 0.000 2.095 186 F HA 0.003 4.541 4.527 0.019 0.000 0.298 186 F C 2.738 178.806 175.800 0.445 0.000 1.104 186 F CA 0.094 58.346 58.000 0.420 0.000 1.232 186 F CB -0.976 38.293 39.000 0.449 0.000 0.987 186 F HN 0.105 nan 8.300 nan 0.000 0.475 187 I N -1.206 119.744 120.570 0.633 0.000 2.163 187 I HA -0.352 3.828 4.170 0.017 0.000 0.243 187 I C 2.412 178.623 176.117 0.156 0.000 1.085 187 I CA 1.483 62.994 61.300 0.352 0.000 1.347 187 I CB -0.731 37.190 38.000 -0.132 0.000 1.044 187 I HN -0.048 nan 8.210 nan 0.000 0.408 188 F N 0.941 121.044 119.950 0.254 0.000 2.161 188 F HA -0.245 4.292 4.527 0.015 0.000 0.300 188 F C 2.599 178.638 175.800 0.400 0.000 1.089 188 F CA 1.460 59.640 58.000 0.300 0.000 1.282 188 F CB -0.673 38.560 39.000 0.388 0.000 1.010 188 F HN 0.023 nan 8.300 nan 0.000 0.485 189 A N -0.529 122.652 122.820 0.602 0.000 1.898 189 A HA -0.125 4.205 4.320 0.017 0.000 0.216 189 A C 2.059 179.689 177.584 0.077 0.000 1.181 189 A CA 1.529 53.675 52.037 0.181 0.000 0.620 189 A CB -0.860 18.296 19.000 0.260 0.000 0.819 189 A HN 0.340 nan 8.150 nan 0.000 0.442 190 L N -0.376 120.939 121.223 0.153 0.000 2.102 190 L HA 0.054 4.404 4.340 0.017 0.000 0.202 190 L C 1.678 178.685 176.870 0.227 0.000 1.076 190 L CA 1.975 56.867 54.840 0.085 0.000 0.761 190 L CB 0.301 42.236 42.059 -0.206 0.000 0.921 190 L HN 0.372 nan 8.230 nan 0.000 0.444 191 V N -3.011 117.019 119.914 0.193 0.000 3.070 191 V HA 0.401 4.531 4.120 0.017 0.000 0.345 191 V C 0.519 176.726 176.094 0.188 0.000 1.403 191 V CA -0.025 62.462 62.300 0.313 0.000 1.155 191 V CB -0.815 31.202 31.823 0.323 0.000 1.140 191 V HN 0.335 nan 8.190 nan 0.000 0.505 192 S N -0.139 115.619 115.700 0.096 0.000 2.593 192 S HA 0.301 4.781 4.470 0.017 0.000 0.269 192 S C 0.000 174.584 174.600 -0.027 0.000 1.334 192 S CA -0.113 58.087 58.200 0.001 0.000 1.015 192 S CB 1.255 64.562 63.200 0.178 0.000 0.912 192 S HN 0.457 nan 8.310 nan 0.000 0.541 193 D N 1.827 122.132 120.400 -0.159 0.000 2.435 193 D HA 0.157 4.807 4.640 0.017 0.000 0.230 193 D C 0.697 176.896 176.300 -0.168 0.000 1.215 193 D CA -0.840 52.966 54.000 -0.323 0.000 0.947 193 D CB -0.432 40.228 40.800 -0.233 0.000 1.048 193 D HN 0.544 nan 8.370 nan 0.000 0.512 194 F N 1.837 121.844 119.950 0.095 0.000 2.641 194 F HA 0.078 4.616 4.527 0.017 0.000 0.298 194 F C 1.198 177.022 175.800 0.041 0.000 1.146 194 F CA 0.010 58.029 58.000 0.033 0.000 1.464 194 F CB -1.124 37.842 39.000 -0.057 0.000 1.101 194 F HN 0.197 nan 8.300 nan 0.000 0.585 195 N N 0.262 119.066 118.700 0.173 0.000 2.412 195 N HA 0.152 4.902 4.740 0.017 0.000 0.184 195 N C 0.043 175.603 175.510 0.084 0.000 1.101 195 N CA -0.114 53.044 53.050 0.180 0.000 0.881 195 N CB 0.142 38.714 38.487 0.141 0.000 0.969 195 N HN 0.248 nan 8.380 nan 0.000 0.459 196 L N 1.417 122.665 121.223 0.042 0.000 2.350 196 L HA 0.259 4.609 4.340 0.017 0.000 0.275 196 L C -1.086 175.811 176.870 0.045 0.000 1.099 196 L CA -1.665 53.183 54.840 0.013 0.000 0.808 196 L CB 0.752 42.791 42.059 -0.033 0.000 1.149 196 L HN -0.092 nan 8.230 nan 0.000 0.442 197 P HA -0.143 nan 4.420 nan 0.000 0.220 197 P C 0.209 177.537 177.300 0.046 0.000 1.148 197 P CA 1.103 64.227 63.100 0.041 0.000 0.803 197 P CB 0.064 31.779 31.700 0.025 0.000 0.782 198 D N -1.250 119.173 120.400 0.038 0.000 2.755 198 D HA -0.018 4.632 4.640 0.017 0.000 0.257 198 D C 1.061 177.400 176.300 0.066 0.000 1.291 198 D CA -0.577 53.450 54.000 0.045 0.000 0.836 198 D CB -1.287 39.528 40.800 0.024 0.000 1.059 198 D HN 0.091 nan 8.370 nan 0.000 0.486 199 N N 1.353 120.109 118.700 0.093 0.000 2.043 199 N HA -0.196 4.554 4.740 0.017 0.000 0.193 199 N C 0.568 176.203 175.510 0.208 0.000 1.037 199 N CA 1.268 54.400 53.050 0.136 0.000 0.851 199 N CB 0.171 38.757 38.487 0.165 0.000 1.027 199 N HN 0.007 nan 8.380 nan 0.000 0.422 200 D N 0.614 121.140 120.400 0.211 0.000 2.123 200 D HA -0.196 4.454 4.640 0.017 0.000 0.196 200 D C 1.918 178.349 176.300 0.218 0.000 0.992 200 D CA 1.234 55.408 54.000 0.290 0.000 0.833 200 D CB -0.304 40.622 40.800 0.211 0.000 0.954 200 D HN 0.696 nan 8.370 nan 0.000 0.455 201 E N -0.067 120.208 120.200 0.125 0.000 2.190 201 E HA -0.093 4.267 4.350 0.017 0.000 0.191 201 E C 0.409 177.038 176.600 0.048 0.000 0.978 201 E CA 0.463 56.908 56.400 0.075 0.000 0.839 201 E CB -0.077 29.656 29.700 0.055 0.000 0.787 201 E HN 0.025 nan 8.360 nan 0.000 0.473 202 N N 1.923 120.639 118.700 0.026 0.000 2.723 202 N HA 0.209 4.959 4.740 0.017 0.000 0.290 202 N C -2.744 172.705 175.510 -0.101 0.000 1.882 202 N CA -1.827 51.189 53.050 -0.056 0.000 0.851 202 N CB 1.246 39.711 38.487 -0.037 0.000 1.234 202 N HN 0.001 nan 8.380 nan 0.000 0.491 203 P HA 0.100 nan 4.420 nan 0.000 0.271 203 P C -0.804 176.519 177.300 0.038 0.000 1.216 203 P CA 0.082 63.224 63.100 0.070 0.000 0.771 203 P CB 1.238 33.148 31.700 0.349 0.000 0.864 204 L N 3.057 124.296 121.223 0.027 0.000 2.325 204 L HA 0.348 4.698 4.340 0.017 0.000 0.281 204 L C 0.218 176.937 176.870 -0.251 0.000 1.004 204 L CA -1.343 53.462 54.840 -0.058 0.000 0.823 204 L CB 2.015 44.068 42.059 -0.010 0.000 1.236 204 L HN 0.089 nan 8.230 nan 0.000 0.415 205 V N 3.607 123.087 119.914 -0.723 0.000 2.572 205 V HA 0.118 4.248 4.120 0.017 0.000 0.291 205 V C 0.745 176.381 176.094 -0.764 0.000 1.039 205 V CA -0.207 61.516 62.300 -0.962 0.000 1.055 205 V CB 0.760 31.460 31.823 -1.871 0.000 0.969 205 V HN 0.668 nan 8.190 nan 0.000 0.482 206 R N 3.969 124.078 120.500 -0.652 0.000 2.242 206 R HA 0.298 4.648 4.340 0.017 0.000 0.334 206 R C 1.017 177.114 176.300 -0.338 0.000 1.071 206 R CA -0.223 55.385 56.100 -0.820 0.000 0.922 206 R CB 0.450 29.968 30.300 -1.303 0.000 1.023 206 R HN 0.674 nan 8.270 nan 0.000 0.458 207 I N 2.491 122.933 120.570 -0.214 0.000 2.286 207 I HA -0.331 3.849 4.170 0.017 0.000 0.248 207 I C 1.810 178.036 176.117 0.181 0.000 1.115 207 I CA 1.356 62.746 61.300 0.150 0.000 1.392 207 I CB -0.163 37.943 38.000 0.176 0.000 1.065 207 I HN 0.674 nan 8.210 nan 0.000 0.418 208 D N 0.091 120.520 120.400 0.049 0.000 2.144 208 D HA -0.245 4.405 4.640 0.017 0.000 0.200 208 D C 1.876 178.398 176.300 0.370 0.000 0.978 208 D CA 1.137 55.235 54.000 0.163 0.000 0.833 208 D CB -0.813 40.049 40.800 0.104 0.000 0.961 208 D HN 0.309 nan 8.370 nan 0.000 0.470 209 W N 0.532 121.894 121.300 0.103 0.000 2.335 209 W HA -0.038 4.633 4.660 0.019 0.000 0.311 209 W C 2.213 178.903 176.519 0.285 0.000 1.213 209 W CA -0.192 57.212 57.345 0.099 0.000 1.274 209 W CB -1.522 27.935 29.460 -0.005 0.000 1.148 209 W HN 0.136 nan 8.180 nan 0.000 0.498 210 W N 1.438 122.937 121.300 0.332 0.000 2.355 210 W HA -0.187 4.482 4.660 0.016 0.000 0.309 210 W C 2.416 179.105 176.519 0.283 0.000 1.206 210 W CA 2.208 59.716 57.345 0.273 0.000 1.284 210 W CB -0.882 28.644 29.460 0.110 0.000 1.145 210 W HN -0.115 nan 8.180 nan 0.000 0.502 211 K N -1.254 119.352 120.400 0.344 0.000 2.057 211 K HA -0.283 4.047 4.320 0.017 0.000 0.207 211 K C 2.259 179.002 176.600 0.239 0.000 1.049 211 K CA 1.804 58.255 56.287 0.273 0.000 0.931 211 K CB -0.868 31.751 32.500 0.199 0.000 0.714 211 K HN 0.170 nan 8.250 nan 0.000 0.440 212 Y N 0.006 120.415 120.300 0.182 0.000 2.114 212 Y HA -0.269 4.291 4.550 0.016 0.000 0.284 212 Y C 2.074 178.037 175.900 0.105 0.000 1.143 212 Y CA 2.023 60.194 58.100 0.119 0.000 1.135 212 Y CB -0.608 37.934 38.460 0.137 0.000 0.980 212 Y HN 0.313 nan 8.280 nan 0.000 0.499 213 W N 0.198 121.659 121.300 0.268 0.000 2.335 213 W HA -0.274 4.396 4.660 0.017 0.000 0.311 213 W C 1.739 178.300 176.519 0.070 0.000 1.213 213 W CA 2.006 59.434 57.345 0.138 0.000 1.274 213 W CB -1.330 28.227 29.460 0.160 0.000 1.148 213 W HN 0.106 nan 8.180 nan 0.000 0.498 214 F N 0.826 120.495 119.950 -0.469 0.000 2.128 214 F HA -0.124 4.413 4.527 0.017 0.000 0.295 214 F C 2.655 177.755 175.800 -1.167 0.000 1.100 214 F CA 2.282 59.722 58.000 -0.933 0.000 1.260 214 F CB -1.211 36.977 39.000 -1.354 0.000 1.009 214 F HN -0.236 nan 8.300 nan 0.000 0.476 215 T N -0.350 113.751 114.554 -0.757 0.000 2.812 215 T HA -0.123 4.237 4.350 0.017 0.000 0.264 215 T C 1.640 176.037 174.700 -0.506 0.000 1.042 215 T CA 1.450 62.988 62.100 -0.937 0.000 1.140 215 T CB -0.199 68.471 68.868 -0.329 0.000 0.870 215 T HN 0.098 nan 8.240 nan 0.000 0.445 216 N N 0.636 119.125 118.700 -0.352 0.000 2.392 216 N HA 0.052 4.802 4.740 0.017 0.000 0.177 216 N C 0.045 175.485 175.510 -0.116 0.000 1.066 216 N CA 0.149 53.030 53.050 -0.282 0.000 0.895 216 N CB 0.064 38.243 38.487 -0.513 0.000 0.988 216 N HN 0.494 nan 8.380 nan 0.000 0.457 217 E N 0.134 120.281 120.200 -0.087 0.000 2.228 217 E HA -0.182 4.178 4.350 0.017 0.000 0.213 217 E C -0.710 175.912 176.600 0.036 0.000 1.282 217 E CA 0.337 56.740 56.400 0.004 0.000 0.707 217 E CB -1.228 28.497 29.700 0.042 0.000 1.150 217 E HN 0.128 nan 8.360 nan 0.000 0.362 218 S N -1.001 114.685 115.700 -0.025 0.000 2.672 218 S HA 0.704 5.184 4.470 0.017 0.000 0.271 218 S C -1.575 172.895 174.600 -0.217 0.000 1.171 218 S CA -0.871 57.268 58.200 -0.101 0.000 0.817 218 S CB 0.904 64.196 63.200 0.152 0.000 1.150 218 S HN 0.163 nan 8.310 nan 0.000 0.478 219 F N 2.535 122.555 119.950 0.116 0.000 2.420 219 F HA 0.455 4.992 4.527 0.016 0.000 0.342 219 F C -1.671 173.778 175.800 -0.584 0.000 1.113 219 F CA -2.102 55.659 58.000 -0.399 0.000 1.059 219 F CB 1.238 39.966 39.000 -0.454 0.000 1.128 219 F HN 0.269 nan 8.300 nan 0.000 0.475 220 P HA -0.011 nan 4.420 nan 0.000 0.246 220 P C 0.597 177.589 177.300 -0.513 0.000 1.686 220 P CA 0.306 62.767 63.100 -1.066 0.000 0.867 220 P CB -0.553 30.675 31.700 -0.787 0.000 1.733 221 Y N 0.491 120.662 120.300 -0.215 0.000 2.193 221 Y HA -0.241 4.318 4.550 0.015 0.000 0.285 221 Y C 2.484 178.415 175.900 0.052 0.000 1.166 221 Y CA 1.711 59.815 58.100 0.007 0.000 1.181 221 Y CB -1.069 37.419 38.460 0.045 0.000 0.976 221 Y HN 0.296 nan 8.280 nan 0.000 0.520 222 H N -0.966 118.186 119.070 0.136 0.000 2.521 222 H HA 0.011 4.578 4.556 0.018 0.000 0.286 222 H C 1.670 177.098 175.328 0.168 0.000 1.034 222 H CA 0.940 57.081 56.048 0.153 0.000 1.278 222 H CB -0.345 29.514 29.762 0.162 0.000 1.386 222 H HN 0.347 nan 8.280 nan 0.000 0.567 223 L N -0.746 120.630 121.223 0.256 0.000 2.653 223 L HA 0.232 4.582 4.340 0.017 0.000 0.231 223 L C 1.337 178.525 176.870 0.529 0.000 1.153 223 L CA 0.399 55.468 54.840 0.381 0.000 0.933 223 L CB 0.360 42.706 42.059 0.478 0.000 1.175 223 L HN 0.344 nan 8.230 nan 0.000 0.473 224 G N -0.680 108.347 108.800 0.379 0.000 2.176 224 G HA2 -0.323 3.647 3.960 0.017 0.000 0.253 224 G HA3 -0.323 3.647 3.960 0.017 0.000 0.253 224 G C 0.005 175.072 174.900 0.278 0.000 0.979 224 G CA -0.124 45.210 45.100 0.391 0.000 0.641 224 G HN 0.396 nan 8.290 nan 0.000 0.530 225 W N 2.670 123.728 121.300 -0.403 0.000 2.158 225 W HA 0.542 5.210 4.660 0.013 0.000 0.339 225 W C 0.746 176.943 176.519 -0.537 0.000 1.294 225 W CA 1.066 57.745 57.345 -1.110 0.000 1.231 225 W CB 0.352 28.767 29.460 -1.742 0.000 1.143 225 W HN 0.592 nan 8.180 nan 0.000 0.571 226 H N 1.907 120.090 119.070 -1.478 0.000 2.990 226 H HA 0.593 5.158 4.556 0.016 0.000 0.343 226 H C -2.816 170.985 175.328 -2.545 0.000 1.270 226 H CA -2.899 52.072 56.048 -1.797 0.000 1.118 226 H CB 0.674 29.775 29.762 -1.101 0.000 1.861 226 H HN 0.067 nan 8.280 nan 0.000 0.544 227 P HA 0.068 nan 4.420 nan 0.000 0.262 227 P C -2.481 174.367 177.300 -0.753 0.000 1.182 227 P CA -0.543 61.959 63.100 -0.996 0.000 0.761 227 P CB -0.145 31.253 31.700 -0.503 0.000 0.795 228 P HA -0.003 nan 4.420 nan 0.000 0.264 228 P C -0.290 176.800 177.300 -0.350 0.000 1.183 228 P CA 0.701 63.516 63.100 -0.475 0.000 0.763 228 P CB 0.423 31.965 31.700 -0.263 0.000 0.807 229 S N 2.815 118.324 115.700 -0.319 0.000 2.672 229 S HA 0.552 5.032 4.470 0.017 0.000 0.291 229 S C -2.440 172.083 174.600 -0.129 0.000 1.145 229 S CA -1.341 56.755 58.200 -0.174 0.000 1.013 229 S CB 0.136 63.296 63.200 -0.067 0.000 1.017 229 S HN 0.224 nan 8.310 nan 0.000 0.487 230 P HA 0.352 nan 4.420 nan 0.000 0.271 230 P C -0.285 176.948 177.300 -0.111 0.000 1.233 230 P CA -0.509 62.537 63.100 -0.090 0.000 0.789 230 P CB 0.148 31.813 31.700 -0.059 0.000 0.951 231 A N 2.380 125.140 122.820 -0.101 0.000 2.561 231 A HA 0.057 4.387 4.320 0.017 0.000 0.234 231 A C 0.739 178.269 177.584 -0.089 0.000 1.055 231 A CA -0.126 51.849 52.037 -0.102 0.000 0.756 231 A CB -0.161 18.792 19.000 -0.078 0.000 0.986 231 A HN 0.402 nan 8.150 nan 0.000 0.505 232 R N 1.825 122.258 120.500 -0.112 0.000 2.590 232 R HA 0.183 4.533 4.340 0.017 0.000 0.274 232 R C -0.005 176.286 176.300 -0.015 0.000 1.061 232 R CA 0.168 56.201 56.100 -0.112 0.000 1.081 232 R CB 0.269 30.461 30.300 -0.181 0.000 0.984 232 R HN 0.761 nan 8.270 nan 0.000 0.448 233 E N 1.304 121.534 120.200 0.051 0.000 2.264 233 E HA 0.106 4.466 4.350 0.017 0.000 0.260 233 E C 1.164 177.863 176.600 0.165 0.000 0.961 233 E CA -0.940 55.514 56.400 0.089 0.000 0.834 233 E CB 1.308 31.055 29.700 0.079 0.000 1.230 233 E HN 0.256 nan 8.360 nan 0.000 0.412 234 I N 1.583 122.240 120.570 0.144 0.000 2.264 234 I HA -0.272 3.908 4.170 0.017 0.000 0.248 234 I C 1.619 177.840 176.117 0.174 0.000 1.111 234 I CA 1.718 63.121 61.300 0.171 0.000 1.382 234 I CB -0.205 37.871 38.000 0.127 0.000 1.060 234 I HN 0.475 nan 8.210 nan 0.000 0.418 235 E N -0.296 119.991 120.200 0.146 0.000 2.085 235 E HA -0.273 4.087 4.350 0.017 0.000 0.194 235 E C 2.039 178.727 176.600 0.146 0.000 0.994 235 E CA 1.718 58.188 56.400 0.117 0.000 0.801 235 E CB -0.606 29.151 29.700 0.095 0.000 0.743 235 E HN 0.573 nan 8.360 nan 0.000 0.453 236 F N 0.462 120.460 119.950 0.080 0.000 2.095 236 F HA -0.229 4.309 4.527 0.017 0.000 0.298 236 F C 1.977 177.851 175.800 0.123 0.000 1.104 236 F CA 1.119 59.180 58.000 0.102 0.000 1.232 236 F CB -0.315 38.757 39.000 0.121 0.000 0.987 236 F HN -0.138 nan 8.300 nan 0.000 0.475 237 V N 0.310 120.481 119.914 0.428 0.000 2.295 237 V HA -0.318 3.812 4.120 0.017 0.000 0.246 237 V C 2.628 178.799 176.094 0.129 0.000 1.049 237 V CA 2.465 64.989 62.300 0.372 0.000 1.024 237 V CB -1.347 30.747 31.823 0.452 0.000 0.648 237 V HN 0.632 nan 8.190 nan 0.000 0.447 238 T N -3.097 111.504 114.554 0.079 0.000 2.904 238 T HA -0.156 4.204 4.350 0.017 0.000 0.267 238 T C 2.042 176.694 174.700 -0.081 0.000 1.059 238 T CA 1.563 63.663 62.100 0.001 0.000 1.137 238 T CB -0.303 68.572 68.868 0.011 0.000 0.879 238 T HN 0.367 nan 8.240 nan 0.000 0.467 239 S N 1.509 117.142 115.700 -0.112 0.000 2.356 239 S HA 0.018 4.498 4.470 0.017 0.000 0.223 239 S C 2.504 176.882 174.600 -0.370 0.000 1.032 239 S CA 1.322 59.395 58.200 -0.212 0.000 1.005 239 S CB -1.011 62.069 63.200 -0.200 0.000 0.867 239 S HN 0.742 nan 8.310 nan 0.000 0.449 240 A N 0.604 123.181 122.820 -0.404 0.000 1.908 240 A HA -0.077 4.253 4.320 0.017 0.000 0.218 240 A C 2.432 179.756 177.584 -0.435 0.000 1.181 240 A CA 2.261 53.985 52.037 -0.522 0.000 0.627 240 A CB -1.493 17.373 19.000 -0.224 0.000 0.818 240 A HN 0.622 nan 8.150 nan 0.000 0.445 241 S N -0.634 114.952 115.700 -0.190 0.000 2.353 241 S HA -0.188 4.292 4.470 0.017 0.000 0.222 241 S C 2.374 176.870 174.600 -0.172 0.000 1.035 241 S CA 2.194 60.328 58.200 -0.110 0.000 1.025 241 S CB -0.533 62.635 63.200 -0.053 0.000 0.902 241 S HN 0.675 nan 8.310 nan 0.000 0.440 242 S N 0.582 116.160 115.700 -0.203 0.000 2.368 242 S HA 0.012 4.492 4.470 0.017 0.000 0.225 242 S C 2.072 176.507 174.600 -0.274 0.000 1.030 242 S CA 1.435 59.520 58.200 -0.191 0.000 0.999 242 S CB -0.791 62.313 63.200 -0.161 0.000 0.844 242 S HN 0.697 nan 8.310 nan 0.000 0.459 243 A N 0.794 123.322 122.820 -0.486 0.000 1.933 243 A HA 0.022 4.352 4.320 0.017 0.000 0.218 243 A C 2.329 179.600 177.584 -0.521 0.000 1.175 243 A CA 1.663 53.295 52.037 -0.675 0.000 0.628 243 A CB -1.001 17.157 19.000 -1.403 0.000 0.814 243 A HN 0.454 nan 8.150 nan 0.000 0.444 244 V N 0.124 119.769 119.914 -0.449 0.000 2.287 244 V HA -0.263 3.867 4.120 0.017 0.000 0.248 244 V C 2.497 178.563 176.094 -0.047 0.000 1.053 244 V CA 2.072 64.304 62.300 -0.113 0.000 1.027 244 V CB -0.681 31.160 31.823 0.031 0.000 0.646 244 V HN 0.585 nan 8.190 nan 0.000 0.447 245 L N -0.256 120.923 121.223 -0.073 0.000 2.313 245 L HA 0.006 4.356 4.340 0.017 0.000 0.214 245 L C 2.462 179.303 176.870 -0.047 0.000 1.119 245 L CA 1.042 55.859 54.840 -0.038 0.000 0.809 245 L CB -0.570 41.466 42.059 -0.039 0.000 0.933 245 L HN 0.355 nan 8.230 nan 0.000 0.449 246 A N 0.221 122.992 122.820 -0.082 0.000 2.123 246 A HA 0.283 4.613 4.320 0.017 0.000 0.214 246 A C 1.397 178.956 177.584 -0.040 0.000 1.152 246 A CA 0.461 52.457 52.037 -0.068 0.000 0.728 246 A CB -0.297 18.645 19.000 -0.097 0.000 0.814 246 A HN 0.261 nan 8.150 nan 0.000 0.464 247 A N 0.323 123.127 122.820 -0.027 0.000 2.511 247 A HA 0.421 4.751 4.320 0.017 0.000 0.242 247 A C 0.730 178.327 177.584 0.022 0.000 1.069 247 A CA 0.391 52.438 52.037 0.016 0.000 0.763 247 A CB -0.141 18.896 19.000 0.062 0.000 1.001 247 A HN 0.447 nan 8.150 nan 0.000 0.498 248 S N 1.328 117.043 115.700 0.025 0.000 2.549 248 S HA 0.331 4.811 4.470 0.017 0.000 0.279 248 S C -0.010 174.607 174.600 0.028 0.000 1.321 248 S CA -0.506 57.706 58.200 0.021 0.000 1.054 248 S CB -0.039 63.172 63.200 0.018 0.000 0.899 248 S HN 0.667 nan 8.310 nan 0.000 0.497 249 V N 5.689 125.615 119.914 0.021 0.000 2.406 249 V HA 0.276 4.406 4.120 0.017 0.000 0.272 249 V C 1.345 177.450 176.094 0.018 0.000 1.043 249 V CA 0.085 62.398 62.300 0.022 0.000 0.915 249 V CB 0.860 32.693 31.823 0.016 0.000 0.988 249 V HN 1.096 nan 8.190 nan 0.000 0.466 250 T N -0.465 114.101 114.554 0.021 0.000 3.010 250 T HA 0.181 4.541 4.350 0.017 0.000 0.257 250 T C 0.621 175.328 174.700 0.013 0.000 1.020 250 T CA 0.235 62.345 62.100 0.016 0.000 0.938 250 T CB 0.434 69.314 68.868 0.020 0.000 1.049 250 T HN 0.533 nan 8.240 nan 0.000 0.522 251 S N 1.163 116.871 115.700 0.013 0.000 2.776 251 S HA 0.519 4.999 4.470 0.017 0.000 0.284 251 S C -1.075 173.529 174.600 0.007 0.000 1.160 251 S CA -0.453 57.752 58.200 0.009 0.000 1.051 251 S CB 1.255 64.461 63.200 0.009 0.000 1.037 251 S HN 0.291 nan 8.310 nan 0.000 0.485 252 T N 6.829 121.384 114.554 0.001 0.000 2.743 252 T HA 0.516 4.876 4.350 0.017 0.000 0.292 252 T C -2.444 172.251 174.700 -0.008 0.000 0.972 252 T CA -0.865 61.233 62.100 -0.003 0.000 0.967 252 T CB 1.023 69.888 68.868 -0.005 0.000 0.926 252 T HN 0.465 nan 8.240 nan 0.000 0.459 253 P HA 0.327 nan 4.420 nan 0.000 0.272 253 P C -0.204 177.080 177.300 -0.028 0.000 1.223 253 P CA -0.436 62.652 63.100 -0.019 0.000 0.784 253 P CB 0.530 32.218 31.700 -0.020 0.000 0.923 254 S N 0.136 115.816 115.700 -0.032 0.000 2.632 254 S HA 0.247 4.727 4.470 0.017 0.000 0.267 254 S C 0.417 174.982 174.600 -0.059 0.000 1.276 254 S CA -0.155 58.021 58.200 -0.039 0.000 0.998 254 S CB 0.183 63.362 63.200 -0.034 0.000 0.953 254 S HN 0.535 nan 8.310 nan 0.000 0.547 255 S N -0.447 115.214 115.700 -0.065 0.000 3.561 255 S HA -0.142 4.338 4.470 0.017 0.000 0.318 255 S C 0.056 174.577 174.600 -0.130 0.000 1.181 255 S CA 0.202 58.345 58.200 -0.096 0.000 0.916 255 S CB -1.821 61.314 63.200 -0.109 0.000 0.966 255 S HN 0.563 nan 8.310 nan 0.000 0.550 256 L N 2.495 123.661 121.223 -0.095 0.000 2.456 256 L HA 0.254 4.604 4.340 0.017 0.000 0.272 256 L C -1.091 175.733 176.870 -0.076 0.000 1.189 256 L CA -1.474 53.311 54.840 -0.093 0.000 0.846 256 L CB 0.057 42.085 42.059 -0.053 0.000 1.111 256 L HN 0.070 nan 8.230 nan 0.000 0.475 257 P HA -0.001 nan 4.420 nan 0.000 0.272 257 P C -0.476 176.838 177.300 0.023 0.000 1.230 257 P CA -0.436 62.683 63.100 0.032 0.000 0.788 257 P CB 0.817 32.646 31.700 0.216 0.000 0.949 258 S N 0.181 115.897 115.700 0.026 0.000 2.537 258 S HA 0.329 4.809 4.470 0.017 0.000 0.286 258 S C 1.434 176.038 174.600 0.007 0.000 1.299 258 S CA 0.871 59.077 58.200 0.010 0.000 1.067 258 S CB -1.340 61.864 63.200 0.008 0.000 0.864 258 S HN 0.918 nan 8.310 nan 0.000 0.494 259 G N 3.365 112.164 108.800 -0.003 0.000 2.184 259 G HA2 -0.283 3.687 3.960 0.017 0.000 0.264 259 G HA3 -0.283 3.687 3.960 0.017 0.000 0.264 259 G C 1.065 175.959 174.900 -0.009 0.000 0.975 259 G CA 0.603 45.699 45.100 -0.007 0.000 0.642 259 G HN 1.452 nan 8.290 nan 0.000 0.536 260 A N -0.321 122.495 122.820 -0.006 0.000 1.903 260 A HA 0.150 4.480 4.320 0.017 0.000 0.219 260 A C 1.412 178.988 177.584 -0.014 0.000 1.191 260 A CA 1.525 53.554 52.037 -0.013 0.000 0.638 260 A CB -0.200 18.788 19.000 -0.019 0.000 0.823 260 A HN 0.930 nan 8.150 nan 0.000 0.451 261 I N -0.375 120.188 120.570 -0.011 0.000 2.371 261 I HA 0.508 4.688 4.170 0.017 0.000 0.290 261 I C 0.769 176.879 176.117 -0.011 0.000 1.028 261 I CA 0.592 61.887 61.300 -0.008 0.000 1.345 261 I CB 0.650 38.646 38.000 -0.006 0.000 1.407 261 I HN 0.535 nan 8.210 nan 0.000 0.501 262 G N 7.125 115.918 108.800 -0.013 0.000 2.354 262 G HA2 -0.019 3.951 3.960 0.017 0.000 0.582 262 G HA3 -0.019 3.951 3.960 0.017 0.000 0.582 262 G C -3.180 171.706 174.900 -0.024 0.000 1.316 262 G CA -1.183 43.906 45.100 -0.018 0.000 0.995 262 G HN 0.380 nan 8.290 nan 0.000 0.573 263 P HA 0.441 nan 4.420 nan 0.000 0.269 263 P C 0.554 177.832 177.300 -0.036 0.000 1.217 263 P CA 0.774 63.851 63.100 -0.038 0.000 0.783 263 P CB 0.708 32.384 31.700 -0.041 0.000 0.898 264 G N -0.414 108.362 108.800 -0.040 0.000 2.473 264 G HA2 0.583 4.553 3.960 0.017 0.000 0.321 264 G HA3 0.583 4.553 3.960 0.017 0.000 0.321 264 G C -0.784 174.089 174.900 -0.045 0.000 1.200 264 G CA -0.613 44.463 45.100 -0.040 0.000 0.963 264 G HN 0.605 nan 8.290 nan 0.000 0.483 265 A N 0.448 123.239 122.820 -0.048 0.000 2.425 265 A HA 0.425 4.755 4.320 0.017 0.000 0.242 265 A C 0.596 178.148 177.584 -0.053 0.000 1.077 265 A CA -0.158 51.849 52.037 -0.051 0.000 0.781 265 A CB 0.237 19.203 19.000 -0.056 0.000 1.020 265 A HN 0.708 nan 8.150 nan 0.000 0.494 266 E N 0.849 121.019 120.200 -0.050 0.000 2.415 266 E HA 0.344 4.704 4.350 0.017 0.000 0.263 266 E C 0.427 176.993 176.600 -0.056 0.000 0.995 266 E CA -0.038 56.333 56.400 -0.048 0.000 0.915 266 E CB 0.486 30.162 29.700 -0.040 0.000 0.951 266 E HN 0.777 nan 8.360 nan 0.000 0.449 267 A N 3.622 126.408 122.820 -0.057 0.000 2.511 267 A HA 0.321 4.651 4.320 0.017 0.000 0.242 267 A C -0.102 177.440 177.584 -0.070 0.000 1.069 267 A CA -0.135 51.859 52.037 -0.071 0.000 0.763 267 A CB 0.185 19.143 19.000 -0.069 0.000 1.001 267 A HN 0.496 nan 8.150 nan 0.000 0.498 268 V N -0.364 119.495 119.914 -0.091 0.000 3.130 268 V HA 0.753 4.883 4.120 0.017 0.000 0.310 268 V C -3.008 173.018 176.094 -0.113 0.000 1.158 268 V CA -2.618 59.630 62.300 -0.087 0.000 1.029 268 V CB 1.218 32.992 31.823 -0.083 0.000 1.057 268 V HN 0.672 nan 8.190 nan 0.000 0.436 269 P HA 0.250 nan 4.420 nan 0.000 0.264 269 P C -0.242 176.962 177.300 -0.160 0.000 1.183 269 P CA 0.178 63.213 63.100 -0.108 0.000 0.763 269 P CB 0.217 31.876 31.700 -0.069 0.000 0.807 270 L N 1.674 122.782 121.223 -0.190 0.000 2.472 270 L HA 0.385 4.735 4.340 0.017 0.000 0.260 270 L C 0.875 177.523 176.870 -0.370 0.000 1.209 270 L CA 0.467 55.116 54.840 -0.319 0.000 0.817 270 L CB 0.417 42.326 42.059 -0.251 0.000 1.106 270 L HN 0.398 nan 8.230 nan 0.000 0.479 271 S N 0.551 115.841 115.700 -0.685 0.000 2.535 271 S HA 0.676 5.156 4.470 0.017 0.000 0.272 271 S C -1.397 172.668 174.600 -0.892 0.000 1.149 271 S CA -0.570 57.304 58.200 -0.544 0.000 0.888 271 S CB 0.802 63.836 63.200 -0.277 0.000 1.110 271 S HN 0.299 nan 8.310 nan 0.000 0.463 272 F N 2.298 122.136 119.950 -0.186 0.000 2.529 272 F HA 0.705 5.241 4.527 0.014 0.000 0.320 272 F C 0.610 176.316 175.800 -0.158 0.000 1.118 272 F CA -0.784 57.038 58.000 -0.298 0.000 0.915 272 F CB 1.760 40.321 39.000 -0.732 0.000 1.161 272 F HN 0.735 nan 8.300 nan 0.000 0.445 273 A N 1.544 124.381 122.820 0.028 0.000 2.540 273 A HA 0.211 4.541 4.320 0.017 0.000 0.239 273 A C 1.335 178.965 177.584 0.077 0.000 1.061 273 A CA 0.206 52.263 52.037 0.033 0.000 0.758 273 A CB 0.257 19.268 19.000 0.018 0.000 0.991 273 A HN 0.878 nan 8.150 nan 0.000 0.502 274 S N 0.573 116.313 115.700 0.068 0.000 2.442 274 S HA -0.128 4.352 4.470 0.017 0.000 0.236 274 S C 2.048 176.694 174.600 0.076 0.000 1.007 274 S CA 1.905 60.155 58.200 0.083 0.000 0.965 274 S CB -0.396 62.841 63.200 0.061 0.000 0.773 274 S HN 1.066 nan 8.310 nan 0.000 0.504 275 T N -1.115 113.474 114.554 0.058 0.000 3.088 275 T HA 0.194 4.554 4.350 0.017 0.000 0.259 275 T C 0.661 175.393 174.700 0.053 0.000 1.122 275 T CA 0.098 62.225 62.100 0.045 0.000 1.095 275 T CB -0.293 68.592 68.868 0.029 0.000 0.930 275 T HN 0.307 nan 8.240 nan 0.000 0.508 276 M N 4.384 124.037 119.600 0.087 0.000 2.194 276 M HA 0.228 4.718 4.480 0.017 0.000 0.347 276 M C -0.114 176.275 176.300 0.147 0.000 1.439 276 M CA -0.321 55.044 55.300 0.109 0.000 1.131 276 M CB 0.548 33.230 32.600 0.136 0.000 1.733 276 M HN 0.335 nan 8.290 nan 0.000 0.467 277 T N 4.369 118.936 114.554 0.020 0.000 2.897 277 T HA 0.567 4.927 4.350 0.017 0.000 0.294 277 T C -2.458 172.139 174.700 -0.171 0.000 1.004 277 T CA -1.475 60.584 62.100 -0.067 0.000 1.106 277 T CB 0.447 69.255 68.868 -0.099 0.000 0.949 277 T HN 0.493 nan 8.240 nan 0.000 0.520 278 P HA 0.271 nan 4.420 nan 0.000 0.274 278 P C -0.473 176.617 177.300 -0.350 0.000 1.231 278 P CA -0.692 62.082 63.100 -0.543 0.000 0.790 278 P CB 0.306 31.515 31.700 -0.817 0.000 0.951 279 F N 0.391 120.212 119.950 -0.216 0.000 2.553 279 F HA 0.057 4.593 4.527 0.016 0.000 0.356 279 F C 1.402 177.023 175.800 -0.298 0.000 1.142 279 F CA 0.037 57.896 58.000 -0.235 0.000 1.322 279 F CB -0.243 38.539 39.000 -0.364 0.000 1.126 279 F HN 0.083 nan 8.300 nan 0.000 0.599 280 L N 3.985 125.145 121.223 -0.105 0.000 2.540 280 L HA -0.009 4.341 4.340 0.017 0.000 0.276 280 L C -0.051 176.673 176.870 -0.245 0.000 1.212 280 L CA -0.013 54.710 54.840 -0.196 0.000 0.893 280 L CB 0.002 41.935 42.059 -0.210 0.000 1.138 280 L HN 0.416 nan 8.230 nan 0.000 0.491 281 L N 3.552 124.717 121.223 -0.096 0.000 2.380 281 L HA 0.280 4.630 4.340 0.017 0.000 0.273 281 L C 0.816 177.776 176.870 0.149 0.000 1.138 281 L CA -0.349 54.488 54.840 -0.006 0.000 0.832 281 L CB 0.860 42.914 42.059 -0.010 0.000 1.124 281 L HN 0.730 nan 8.230 nan 0.000 0.454 282 A N 1.766 124.741 122.820 0.258 0.000 2.565 282 A HA 0.189 4.519 4.320 0.017 0.000 0.237 282 A C 1.053 178.733 177.584 0.160 0.000 1.053 282 A CA 0.359 52.582 52.037 0.309 0.000 0.755 282 A CB -0.010 19.124 19.000 0.223 0.000 0.980 282 A HN 0.882 nan 8.150 nan 0.000 0.506 283 T N 0.241 114.873 114.554 0.131 0.000 3.069 283 T HA 0.097 4.457 4.350 0.017 0.000 0.252 283 T C 0.453 175.180 174.700 0.045 0.000 1.053 283 T CA -0.269 61.876 62.100 0.074 0.000 0.964 283 T CB -0.520 68.386 68.868 0.064 0.000 1.005 283 T HN 0.653 nan 8.240 nan 0.000 0.532 284 N N 2.399 121.124 118.700 0.041 0.000 2.407 284 N HA 0.297 5.047 4.740 0.017 0.000 0.250 284 N C 0.432 175.967 175.510 0.043 0.000 1.236 284 N CA 0.107 53.175 53.050 0.030 0.000 0.879 284 N CB 0.589 39.092 38.487 0.025 0.000 1.088 284 N HN 0.510 nan 8.380 nan 0.000 0.450 285 A N 3.320 126.166 122.820 0.044 0.000 2.507 285 A HA 0.132 4.462 4.320 0.017 0.000 0.235 285 A C -1.808 175.828 177.584 0.087 0.000 1.070 285 A CA -0.802 51.270 52.037 0.058 0.000 0.768 285 A CB -0.370 18.667 19.000 0.063 0.000 1.011 285 A HN 0.470 nan 8.150 nan 0.000 0.502 286 P HA 0.016 nan 4.420 nan 0.000 0.268 286 P C -0.652 176.769 177.300 0.202 0.000 1.204 286 P CA 0.333 63.511 63.100 0.130 0.000 0.768 286 P CB 0.172 31.926 31.700 0.089 0.000 0.842 287 Y N 5.330 125.681 120.300 0.085 0.000 2.497 287 Y HA 0.204 4.763 4.550 0.016 0.000 0.334 287 Y C -0.418 175.580 175.900 0.163 0.000 1.199 287 Y CA 0.218 58.359 58.100 0.068 0.000 1.425 287 Y CB 0.183 38.677 38.460 0.057 0.000 1.291 287 Y HN 0.437 nan 8.280 nan 0.000 0.562 288 Y N 2.842 122.646 120.300 -0.827 0.000 2.562 288 Y HA 0.801 5.361 4.550 0.017 0.000 0.345 288 Y C -0.893 174.429 175.900 -0.964 0.000 1.045 288 Y CA -1.883 55.739 58.100 -0.796 0.000 1.028 288 Y CB 0.387 38.682 38.460 -0.274 0.000 1.297 288 Y HN 0.845 nan 8.280 nan 0.000 0.463 289 A N 2.211 124.696 122.820 -0.558 0.000 2.520 289 A HA 0.307 4.637 4.320 0.017 0.000 0.245 289 A C 0.217 177.663 177.584 -0.230 0.000 1.072 289 A CA -0.116 51.701 52.037 -0.366 0.000 0.761 289 A CB 0.166 19.038 19.000 -0.214 0.000 1.004 289 A HN 0.946 nan 8.150 nan 0.000 0.499 290 Q N 0.106 119.780 119.800 -0.211 0.000 2.157 290 Q HA 0.095 4.445 4.340 0.017 0.000 0.235 290 Q C -0.787 175.175 176.000 -0.064 0.000 0.803 290 Q CA 0.097 55.818 55.803 -0.137 0.000 0.967 290 Q CB 0.846 29.454 28.738 -0.216 0.000 1.150 290 Q HN 0.829 nan 8.270 nan 0.000 0.482 291 D N 2.051 122.420 120.400 -0.052 0.000 2.613 291 D HA 0.176 4.826 4.640 0.017 0.000 0.312 291 D C -2.169 174.114 176.300 -0.028 0.000 1.202 291 D CA -1.297 52.688 54.000 -0.025 0.000 0.825 291 D CB 0.860 41.657 40.800 -0.006 0.000 1.113 291 D HN 0.056 nan 8.370 nan 0.000 0.502 292 P HA 0.383 nan 4.420 nan 0.000 0.284 292 P C -0.144 177.124 177.300 -0.053 0.000 1.287 292 P CA -0.505 62.575 63.100 -0.034 0.000 0.824 292 P CB 0.791 32.478 31.700 -0.021 0.000 1.180 293 T N -1.256 113.285 114.554 -0.022 0.000 2.900 293 T HA 0.334 4.694 4.350 0.017 0.000 0.307 293 T C 0.539 175.211 174.700 -0.047 0.000 1.065 293 T CA -0.620 61.481 62.100 0.002 0.000 1.105 293 T CB 0.046 68.955 68.868 0.069 0.000 0.979 293 T HN 0.248 nan 8.240 nan 0.000 0.544 294 L N 1.860 123.019 121.223 -0.107 0.000 2.343 294 L HA 0.611 4.961 4.340 0.017 0.000 0.275 294 L C 1.245 178.073 176.870 -0.069 0.000 1.056 294 L CA -1.124 53.578 54.840 -0.231 0.000 0.804 294 L CB 1.081 42.681 42.059 -0.765 0.000 1.203 294 L HN 0.985 nan 8.230 nan 0.000 0.440 295 G N 1.010 109.800 108.800 -0.016 0.000 2.547 295 G HA2 0.358 4.328 3.960 0.017 0.000 0.291 295 G HA3 0.358 4.328 3.960 0.017 0.000 0.291 295 G C -1.753 173.221 174.900 0.123 0.000 1.211 295 G CA -0.962 44.178 45.100 0.067 0.000 0.950 295 G HN 0.466 nan 8.290 nan 0.000 0.504 296 P HA -0.106 nan 4.420 nan 0.000 0.218 296 P C 0.786 178.196 177.300 0.183 0.000 1.148 296 P CA 1.177 64.366 63.100 0.149 0.000 0.822 296 P CB 0.137 31.891 31.700 0.090 0.000 0.784 297 N N -0.874 117.939 118.700 0.187 0.000 2.322 297 N HA 0.034 4.784 4.740 0.017 0.000 0.194 297 N C 0.058 175.747 175.510 0.299 0.000 1.126 297 N CA -0.216 52.979 53.050 0.241 0.000 0.845 297 N CB 0.090 38.714 38.487 0.229 0.000 0.976 297 N HN 0.146 nan 8.380 nan 0.000 0.475 298 D N 0.000 120.543 120.400 0.238 0.000 6.856 298 D HA 0.000 4.650 4.640 0.017 0.000 0.175 298 D CA 0.000 54.123 54.000 0.206 0.000 0.868 298 D CB 0.000 40.889 40.800 0.148 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683