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 2civ_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 0.000 176.648 176.600 0.080 0.000 1.382 1 E CA 0.000 56.456 56.400 0.094 0.000 0.976 1 E CB 0.000 29.742 29.700 0.070 0.000 0.812 2 P HA -0.164 nan 4.420 nan 0.000 0.216 2 P C 1.183 178.506 177.300 0.038 0.000 1.150 2 P CA 1.664 64.806 63.100 0.070 0.000 0.843 2 P CB 0.168 31.910 31.700 0.069 0.000 0.787 3 G N 0.016 108.832 108.800 0.026 0.000 2.598 3 G HA2 -0.148 3.822 3.960 0.018 0.000 0.215 3 G HA3 -0.148 3.822 3.960 0.018 0.000 0.215 3 G C 1.660 176.557 174.900 -0.005 0.000 1.131 3 G CA 0.829 45.931 45.100 0.003 0.000 0.785 3 G HN 0.441 nan 8.290 nan 0.000 0.539 4 S N -0.066 115.642 115.700 0.013 0.000 2.423 4 S HA 0.191 4.671 4.470 0.018 0.000 0.231 4 S C 2.180 176.774 174.600 -0.009 0.000 1.014 4 S CA 1.217 59.425 58.200 0.013 0.000 0.965 4 S CB -0.498 62.727 63.200 0.042 0.000 0.785 4 S HN 1.450 nan 8.310 nan 0.000 0.495 5 G N 1.218 110.005 108.800 -0.023 0.000 2.180 5 G HA2 -0.305 3.666 3.960 0.018 0.000 0.263 5 G HA3 -0.305 3.666 3.960 0.018 0.000 0.263 5 G C 0.606 175.502 174.900 -0.007 0.000 0.989 5 G CA 0.593 45.673 45.100 -0.033 0.000 0.692 5 G HN 0.598 nan 8.290 nan 0.000 0.526 6 I N 0.568 121.106 120.570 -0.054 0.000 2.264 6 I HA -0.099 4.082 4.170 0.018 0.000 0.248 6 I C 2.809 178.725 176.117 -0.335 0.000 1.111 6 I CA 1.828 63.042 61.300 -0.143 0.000 1.382 6 I CB -0.229 37.679 38.000 -0.153 0.000 1.060 6 I HN 0.297 nan 8.210 nan 0.000 0.418 7 G N -0.943 107.644 108.800 -0.355 0.000 2.712 7 G HA2 -0.176 3.795 3.960 0.018 0.000 0.212 7 G HA3 -0.176 3.795 3.960 0.018 0.000 0.212 7 G C 0.503 175.435 174.900 0.054 0.000 1.142 7 G CA -0.214 44.741 45.100 -0.243 0.000 0.789 7 G HN 0.293 nan 8.290 nan 0.000 0.535 8 Y N 2.248 122.500 120.300 -0.081 0.000 2.411 8 Y HA 0.337 4.897 4.550 0.017 0.000 0.333 8 Y C -1.325 174.479 175.900 -0.161 0.000 1.186 8 Y CA -1.869 56.163 58.100 -0.113 0.000 1.381 8 Y CB 1.582 39.984 38.460 -0.097 0.000 1.273 8 Y HN -0.040 nan 8.280 nan 0.000 0.546 9 P HA 0.075 nan 4.420 nan 0.000 0.259 9 P C -0.288 176.507 177.300 -0.841 0.000 1.530 9 P CA 0.500 62.853 63.100 -1.245 0.000 1.022 9 P CB -0.027 30.815 31.700 -1.430 0.000 1.514 10 Y N -0.010 120.069 120.300 -0.368 0.000 2.347 10 Y HA 0.165 4.724 4.550 0.015 0.000 0.294 10 Y C 0.974 176.730 175.900 -0.241 0.000 1.117 10 Y CA 0.604 58.503 58.100 -0.335 0.000 1.184 10 Y CB 0.156 38.379 38.460 -0.394 0.000 1.047 10 Y HN -0.018 nan 8.280 nan 0.000 0.546 11 D N -0.720 119.669 120.400 -0.018 0.000 2.476 11 D HA 0.177 4.827 4.640 0.018 0.000 0.251 11 D C -0.635 175.669 176.300 0.006 0.000 1.291 11 D CA -0.224 53.756 54.000 -0.033 0.000 0.939 11 D CB 0.432 41.256 40.800 0.040 0.000 1.221 11 D HN -0.068 nan 8.370 nan 0.000 0.567 12 N N 2.677 121.370 118.700 -0.011 0.000 2.270 12 N HA 0.106 4.856 4.740 0.018 0.000 0.198 12 N C -0.680 174.873 175.510 0.072 0.000 1.117 12 N CA 0.072 53.157 53.050 0.058 0.000 0.845 12 N CB 0.063 38.574 38.487 0.040 0.000 0.980 12 N HN 0.379 nan 8.380 nan 0.000 0.486 13 N N -0.653 118.103 118.700 0.093 0.000 2.673 13 N HA 0.042 4.792 4.740 0.018 0.000 0.265 13 N C -0.897 174.765 175.510 0.255 0.000 1.709 13 N CA -0.258 52.881 53.050 0.147 0.000 0.792 13 N CB 1.015 39.580 38.487 0.131 0.000 1.286 13 N HN -0.002 nan 8.380 nan 0.000 0.506 14 T N -1.473 113.211 114.554 0.216 0.000 2.849 14 T HA 0.642 5.003 4.350 0.018 0.000 0.284 14 T C 0.038 174.909 174.700 0.285 0.000 1.004 14 T CA -0.449 61.830 62.100 0.298 0.000 1.021 14 T CB 1.202 70.198 68.868 0.212 0.000 1.013 14 T HN 0.039 nan 8.240 nan 0.000 0.527 15 L N 1.649 123.069 121.223 0.327 0.000 2.354 15 L HA 0.557 4.907 4.340 0.018 0.000 0.264 15 L C -2.283 174.716 176.870 0.215 0.000 1.008 15 L CA -2.853 52.082 54.840 0.159 0.000 0.819 15 L CB 2.784 44.840 42.059 -0.005 0.000 1.339 15 L HN 0.540 nan 8.230 nan 0.000 0.420 16 P HA -0.001 nan 4.420 nan 0.000 0.274 16 P C -1.160 176.090 177.300 -0.084 0.000 1.237 16 P CA -0.240 62.934 63.100 0.124 0.000 0.793 16 P CB 0.535 32.276 31.700 0.068 0.000 0.977 17 Y N 2.067 122.171 120.300 -0.327 0.000 2.526 17 Y HA 0.244 4.805 4.550 0.018 0.000 0.330 17 Y C -0.650 175.090 175.900 -0.267 0.000 1.156 17 Y CA 0.490 58.248 58.100 -0.570 0.000 1.419 17 Y CB 0.291 38.552 38.460 -0.331 0.000 1.250 17 Y HN 0.059 nan 8.280 nan 0.000 0.540 18 V N 6.624 126.011 119.914 -0.879 0.000 2.525 18 V HA 0.578 4.709 4.120 0.018 0.000 0.299 18 V C -0.116 175.393 176.094 -0.975 0.000 1.034 18 V CA -0.964 60.920 62.300 -0.693 0.000 0.863 18 V CB 1.130 32.660 31.823 -0.488 0.000 0.999 18 V HN 1.058 nan 8.190 nan 0.000 0.423 19 A N 7.583 129.949 122.820 -0.758 0.000 2.498 19 A HA 0.557 4.887 4.320 0.018 0.000 0.239 19 A C -2.076 175.215 177.584 -0.489 0.000 1.068 19 A CA -0.757 50.925 52.037 -0.591 0.000 0.766 19 A CB -0.174 18.540 19.000 -0.476 0.000 1.003 19 A HN 0.624 nan 8.150 nan 0.000 0.497 20 P HA 0.233 nan 4.420 nan 0.000 0.271 20 P C 0.337 177.458 177.300 -0.299 0.000 1.216 20 P CA 0.289 63.239 63.100 -0.248 0.000 0.776 20 P CB 0.889 32.520 31.700 -0.115 0.000 0.881 21 G N 2.898 111.568 108.800 -0.216 0.000 2.528 21 G HA2 0.330 4.301 3.960 0.018 0.000 0.289 21 G HA3 0.330 4.301 3.960 0.018 0.000 0.289 21 G C -1.733 173.114 174.900 -0.088 0.000 1.192 21 G CA -1.516 43.477 45.100 -0.177 0.000 0.921 21 G HN 0.244 nan 8.290 nan 0.000 0.512 22 P HA -0.095 nan 4.420 nan 0.000 0.219 22 P C 1.910 179.203 177.300 -0.012 0.000 1.146 22 P CA 2.029 65.123 63.100 -0.010 0.000 0.808 22 P CB 0.173 31.869 31.700 -0.005 0.000 0.779 23 T N -5.924 108.614 114.554 -0.027 0.000 3.081 23 T HA 0.070 4.431 4.350 0.018 0.000 0.250 23 T C 0.568 175.255 174.700 -0.021 0.000 1.100 23 T CA -0.209 61.878 62.100 -0.021 0.000 1.038 23 T CB -0.517 68.336 68.868 -0.024 0.000 0.962 23 T HN -0.102 nan 8.240 nan 0.000 0.516 24 D N 2.533 122.915 120.400 -0.030 0.000 2.372 24 D HA 0.264 4.914 4.640 0.018 0.000 0.243 24 D C -0.283 176.010 176.300 -0.011 0.000 1.121 24 D CA 0.207 54.191 54.000 -0.027 0.000 0.898 24 D CB 1.510 42.283 40.800 -0.046 0.000 1.202 24 D HN 0.263 nan 8.370 nan 0.000 0.428 25 S N 1.735 117.430 115.700 -0.008 0.000 2.457 25 S HA 0.398 4.879 4.470 0.018 0.000 0.289 25 S C -0.312 174.287 174.600 -0.001 0.000 1.163 25 S CA -0.751 57.448 58.200 -0.002 0.000 1.078 25 S CB 0.440 63.636 63.200 -0.006 0.000 0.987 25 S HN 0.216 nan 8.310 nan 0.000 0.482 26 R N 1.849 122.354 120.500 0.009 0.000 2.892 26 R HA 0.758 5.108 4.340 0.018 0.000 0.265 26 R C -0.241 176.061 176.300 0.005 0.000 1.025 26 R CA -0.733 55.374 56.100 0.012 0.000 0.982 26 R CB 1.523 31.844 30.300 0.035 0.000 1.185 26 R HN 0.685 nan 8.270 nan 0.000 0.484 27 A N 1.608 124.426 122.820 -0.003 0.000 2.261 27 A HA 0.587 4.917 4.320 0.018 0.000 0.323 27 A C -1.900 175.661 177.584 -0.039 0.000 1.107 27 A CA -1.294 50.728 52.037 -0.025 0.000 0.883 27 A CB 0.560 19.546 19.000 -0.024 0.000 1.251 27 A HN 0.478 nan 8.150 nan 0.000 0.502 28 P HA 0.093 nan 4.420 nan 0.000 0.253 28 P C 0.058 177.289 177.300 -0.115 0.000 1.260 28 P CA 0.295 63.340 63.100 -0.093 0.000 0.800 28 P CB -0.358 31.276 31.700 -0.108 0.000 1.162 29 C N 2.985 122.233 119.300 -0.086 0.000 2.281 29 C HA 0.465 4.935 4.460 0.018 0.000 0.325 29 C C -1.009 173.944 174.990 -0.062 0.000 1.282 29 C CA -2.553 56.435 59.018 -0.049 0.000 1.640 29 C CB 1.103 28.862 27.740 0.031 0.000 2.288 29 C HN 0.113 nan 8.230 nan 0.000 0.507 30 P HA -0.040 nan 4.420 nan 0.000 0.221 30 P C 1.223 178.676 177.300 0.256 0.000 1.150 30 P CA 1.862 64.787 63.100 -0.292 0.000 0.800 30 P CB 0.129 31.122 31.700 -1.178 0.000 0.787 31 A N 0.508 123.622 122.820 0.490 0.000 1.854 31 A HA -0.077 4.254 4.320 0.018 0.000 0.214 31 A C 2.416 180.179 177.584 0.299 0.000 1.192 31 A CA 1.151 53.542 52.037 0.591 0.000 0.611 31 A CB -1.555 17.874 19.000 0.714 0.000 0.832 31 A HN 0.089 nan 8.150 nan 0.000 0.442 32 L N -0.022 121.353 121.223 0.253 0.000 2.079 32 L HA -0.230 4.121 4.340 0.018 0.000 0.210 32 L C 2.287 179.196 176.870 0.065 0.000 1.081 32 L CA 1.312 56.230 54.840 0.131 0.000 0.752 32 L CB -0.735 41.402 42.059 0.131 0.000 0.896 32 L HN 0.358 nan 8.230 nan 0.000 0.433 33 N N 0.339 119.078 118.700 0.065 0.000 2.120 33 N HA -0.142 4.609 4.740 0.018 0.000 0.188 33 N C 1.908 177.434 175.510 0.026 0.000 1.024 33 N CA 1.552 54.620 53.050 0.031 0.000 0.852 33 N CB -0.384 38.117 38.487 0.023 0.000 1.003 33 N HN 0.319 nan 8.380 nan 0.000 0.424 34 A N 1.239 124.086 122.820 0.046 0.000 1.902 34 A HA -0.063 4.268 4.320 0.018 0.000 0.217 34 A C 2.367 180.007 177.584 0.093 0.000 1.181 34 A CA 0.958 52.972 52.037 -0.037 0.000 0.623 34 A CB -0.787 18.003 19.000 -0.350 0.000 0.818 34 A HN 0.218 nan 8.150 nan 0.000 0.443 35 L N -0.856 120.451 121.223 0.139 0.000 2.046 35 L HA -0.221 4.130 4.340 0.018 0.000 0.208 35 L C 3.112 179.973 176.870 -0.016 0.000 1.077 35 L CA 1.186 56.123 54.840 0.163 0.000 0.747 35 L CB -0.579 41.476 42.059 -0.007 0.000 0.896 35 L HN 0.453 nan 8.230 nan 0.000 0.432 36 A N 0.074 122.857 122.820 -0.062 0.000 1.898 36 A HA -0.191 4.140 4.320 0.018 0.000 0.216 36 A C 2.001 179.430 177.584 -0.259 0.000 1.181 36 A CA 1.703 53.648 52.037 -0.154 0.000 0.620 36 A CB -0.547 18.406 19.000 -0.079 0.000 0.819 36 A HN 0.422 nan 8.150 nan 0.000 0.442 37 N N -0.132 118.454 118.700 -0.189 0.000 2.272 37 N HA -0.130 4.620 4.740 0.018 0.000 0.185 37 N C 1.209 176.443 175.510 -0.461 0.000 1.014 37 N CA 1.244 54.103 53.050 -0.319 0.000 0.870 37 N CB -0.489 37.801 38.487 -0.327 0.000 0.975 37 N HN 0.650 nan 8.380 nan 0.000 0.433 38 H N -0.959 117.863 119.070 -0.413 0.000 2.539 38 H HA 0.179 4.745 4.556 0.017 0.000 0.269 38 H C 0.986 175.760 175.328 -0.923 0.000 0.980 38 H CA 0.626 56.299 56.048 -0.625 0.000 1.152 38 H CB 0.408 29.639 29.762 -0.884 0.000 1.407 38 H HN 0.247 nan 8.280 nan 0.000 0.564 39 G N 1.169 109.357 108.800 -1.020 0.000 2.168 39 G HA2 -0.346 3.625 3.960 0.018 0.000 0.257 39 G HA3 -0.346 3.625 3.960 0.018 0.000 0.257 39 G C 0.409 175.069 174.900 -0.400 0.000 0.997 39 G CA 0.579 45.078 45.100 -1.001 0.000 0.708 39 G HN 0.400 nan 8.290 nan 0.000 0.520 40 Y N -0.077 120.096 120.300 -0.212 0.000 2.373 40 Y HA 0.283 4.844 4.550 0.018 0.000 0.293 40 Y C 2.096 177.946 175.900 -0.084 0.000 1.129 40 Y CA 0.576 58.585 58.100 -0.152 0.000 1.226 40 Y CB -0.136 38.211 38.460 -0.188 0.000 1.000 40 Y HN 0.697 nan 8.280 nan 0.000 0.549 41 I N -3.349 117.233 120.570 0.020 0.000 2.910 41 I HA 0.545 4.726 4.170 0.018 0.000 0.310 41 I C -2.800 173.268 176.117 -0.082 0.000 1.043 41 I CA -2.953 58.347 61.300 0.000 0.000 1.053 41 I CB 1.949 39.959 38.000 0.017 0.000 1.242 41 I HN -0.381 nan 8.210 nan 0.000 0.452 42 P HA -0.006 nan 4.420 nan 0.000 0.261 42 P C -0.198 177.055 177.300 -0.077 0.000 1.173 42 P CA 0.676 63.750 63.100 -0.042 0.000 0.760 42 P CB 0.170 31.874 31.700 0.006 0.000 0.783 43 H N 2.009 121.037 119.070 -0.069 0.000 2.390 43 H HA -0.201 4.367 4.556 0.020 0.000 0.298 43 H C 1.527 176.799 175.328 -0.094 0.000 1.106 43 H CA 2.098 58.080 56.048 -0.110 0.000 1.297 43 H CB 0.028 29.710 29.762 -0.133 0.000 1.375 43 H HN 0.551 nan 8.280 nan 0.000 0.509 44 D N -0.849 119.583 120.400 0.054 0.000 2.355 44 D HA 0.020 4.671 4.640 0.018 0.000 0.218 44 D C 1.511 177.811 176.300 -0.000 0.000 1.004 44 D CA 0.745 54.752 54.000 0.012 0.000 0.880 44 D CB -0.436 40.367 40.800 0.006 0.000 0.911 44 D HN 0.397 nan 8.370 nan 0.000 0.528 45 G N 0.391 109.189 108.800 -0.004 0.000 2.198 45 G HA2 -0.329 3.642 3.960 0.018 0.000 0.260 45 G HA3 -0.329 3.642 3.960 0.018 0.000 0.260 45 G C 0.017 174.916 174.900 -0.001 0.000 1.025 45 G CA 0.201 45.297 45.100 -0.006 0.000 0.769 45 G HN 0.504 nan 8.290 nan 0.000 0.507 46 R N -0.952 119.551 120.500 0.007 0.000 2.807 46 R HA 0.693 5.044 4.340 0.018 0.000 0.276 46 R C 0.624 176.939 176.300 0.025 0.000 0.979 46 R CA -0.450 55.656 56.100 0.010 0.000 0.928 46 R CB 1.761 32.066 30.300 0.009 0.000 1.191 46 R HN 1.554 nan 8.270 nan 0.000 0.471 47 A N 2.064 124.904 122.820 0.033 0.000 2.546 47 A HA -0.158 4.173 4.320 0.018 0.000 0.295 47 A C -0.312 177.319 177.584 0.079 0.000 1.455 47 A CA 0.433 52.504 52.037 0.057 0.000 0.730 47 A CB -1.894 17.135 19.000 0.049 0.000 1.111 47 A HN 0.585 nan 8.150 nan 0.000 0.411 48 I N 1.659 122.287 120.570 0.096 0.000 2.362 48 I HA 0.451 4.631 4.170 0.018 0.000 0.289 48 I C 0.932 177.184 176.117 0.225 0.000 0.994 48 I CA 0.005 61.381 61.300 0.126 0.000 1.158 48 I CB 1.947 40.005 38.000 0.097 0.000 1.315 48 I HN 0.664 nan 8.210 nan 0.000 0.451 49 S N 5.457 121.279 115.700 0.203 0.000 2.652 49 S HA 0.411 4.892 4.470 0.018 0.000 0.270 49 S C 1.036 175.784 174.600 0.248 0.000 1.243 49 S CA -0.663 57.674 58.200 0.228 0.000 0.999 49 S CB 1.691 64.970 63.200 0.132 0.000 0.973 49 S HN 0.642 nan 8.310 nan 0.000 0.544 50 R N 0.645 121.266 120.500 0.201 0.000 2.083 50 R HA -0.118 4.233 4.340 0.018 0.000 0.237 50 R C 2.356 178.747 176.300 0.152 0.000 1.137 50 R CA 1.896 58.106 56.100 0.184 0.000 0.951 50 R CB -0.452 29.877 30.300 0.048 0.000 0.851 50 R HN 0.911 nan 8.270 nan 0.000 0.434 51 E N -0.103 120.161 120.200 0.105 0.000 2.106 51 E HA -0.145 4.215 4.350 0.018 0.000 0.192 51 E C 1.443 178.110 176.600 0.111 0.000 0.984 51 E CA 1.481 57.937 56.400 0.093 0.000 0.806 51 E CB 0.163 29.900 29.700 0.062 0.000 0.750 51 E HN 0.224 nan 8.360 nan 0.000 0.458 52 T N 1.165 115.792 114.554 0.122 0.000 2.684 52 T HA -0.168 4.193 4.350 0.018 0.000 0.267 52 T C 1.818 176.607 174.700 0.149 0.000 1.036 52 T CA 1.277 63.451 62.100 0.123 0.000 1.148 52 T CB -0.194 68.744 68.868 0.117 0.000 0.863 52 T HN 0.145 nan 8.240 nan 0.000 0.436 53 L N 0.548 121.890 121.223 0.197 0.000 2.017 53 L HA -0.141 4.209 4.340 0.018 0.000 0.208 53 L C 2.948 180.024 176.870 0.343 0.000 1.073 53 L CA 1.436 56.446 54.840 0.282 0.000 0.745 53 L CB -0.545 41.726 42.059 0.353 0.000 0.894 53 L HN 0.288 nan 8.230 nan 0.000 0.432 54 Q N -0.083 119.868 119.800 0.250 0.000 2.061 54 Q HA -0.232 4.118 4.340 0.018 0.000 0.204 54 Q C 1.991 178.089 176.000 0.164 0.000 0.984 54 Q CA 2.103 58.030 55.803 0.206 0.000 0.846 54 Q CB -0.287 28.527 28.738 0.127 0.000 0.902 54 Q HN 0.602 nan 8.270 nan 0.000 0.421 55 N N 0.132 118.900 118.700 0.113 0.000 2.166 55 N HA -0.136 4.614 4.740 0.018 0.000 0.186 55 N C 1.773 177.304 175.510 0.035 0.000 1.019 55 N CA 0.718 53.800 53.050 0.053 0.000 0.856 55 N CB -0.116 38.400 38.487 0.048 0.000 0.993 55 N HN 0.198 nan 8.380 nan 0.000 0.426 56 A N 0.918 123.790 122.820 0.087 0.000 1.877 56 A HA -0.125 4.205 4.320 0.018 0.000 0.216 56 A C 1.810 179.365 177.584 -0.049 0.000 1.186 56 A CA 1.203 53.278 52.037 0.063 0.000 0.620 56 A CB -0.874 18.137 19.000 0.017 0.000 0.822 56 A HN 0.187 nan 8.150 nan 0.000 0.443 57 F N -0.743 119.231 119.950 0.040 0.000 2.102 57 F HA -0.120 4.411 4.527 0.006 0.000 0.298 57 F C 2.099 177.854 175.800 -0.075 0.000 1.105 57 F CA 1.570 59.567 58.000 -0.005 0.000 1.239 57 F CB -0.529 38.473 39.000 0.003 0.000 0.991 57 F HN 0.265 nan 8.300 nan 0.000 0.474 58 L N 0.391 121.676 121.223 0.103 0.000 2.005 58 L HA -0.180 4.170 4.340 0.018 0.000 0.207 58 L C 1.674 178.456 176.870 -0.147 0.000 1.072 58 L CA 2.101 56.932 54.840 -0.016 0.000 0.744 58 L CB -0.988 41.062 42.059 -0.016 0.000 0.895 58 L HN 0.081 nan 8.230 nan 0.000 0.433 59 N N -2.222 116.316 118.700 -0.270 0.000 2.416 59 N HA -0.068 4.682 4.740 0.018 0.000 0.177 59 N C 0.989 176.053 175.510 -0.743 0.000 1.036 59 N CA 0.776 53.516 53.050 -0.517 0.000 0.901 59 N CB 0.047 38.141 38.487 -0.654 0.000 0.976 59 N HN 0.450 nan 8.380 nan 0.000 0.444 60 H N -1.183 117.680 119.070 -0.346 0.000 3.046 60 H HA 0.302 4.868 4.556 0.016 0.000 0.262 60 H C 0.816 175.875 175.328 -0.448 0.000 1.044 60 H CA 0.367 56.110 56.048 -0.507 0.000 1.209 60 H CB 0.755 29.922 29.762 -0.992 0.000 1.507 60 H HN 0.190 nan 8.280 nan 0.000 0.507 61 M N -0.766 118.710 119.600 -0.206 0.000 2.289 61 M HA 0.244 4.735 4.480 0.018 0.000 0.335 61 M C 0.793 177.043 176.300 -0.083 0.000 0.961 61 M CA 0.196 55.415 55.300 -0.136 0.000 1.018 61 M CB 1.925 34.512 32.600 -0.022 0.000 1.678 61 M HN 0.221 nan 8.290 nan 0.000 0.589 62 G N 2.434 111.158 108.800 -0.127 0.000 2.305 62 G HA2 -0.211 3.759 3.960 0.018 0.000 0.287 62 G HA3 -0.211 3.759 3.960 0.018 0.000 0.287 62 G C -0.324 174.534 174.900 -0.070 0.000 1.036 62 G CA -0.014 45.008 45.100 -0.131 0.000 0.887 62 G HN 0.403 nan 8.290 nan 0.000 0.505 63 I N 0.656 121.226 120.570 -0.001 0.000 2.382 63 I HA 0.611 4.792 4.170 0.018 0.000 0.285 63 I C 0.844 176.969 176.117 0.013 0.000 1.007 63 I CA -1.047 60.259 61.300 0.010 0.000 1.142 63 I CB 0.872 38.901 38.000 0.049 0.000 1.289 63 I HN 0.337 nan 8.210 nan 0.000 0.453 64 A N 5.562 128.377 122.820 -0.008 0.000 2.346 64 A HA 0.282 4.613 4.320 0.018 0.000 0.252 64 A C 1.178 178.767 177.584 0.008 0.000 1.089 64 A CA -0.206 51.833 52.037 0.003 0.000 0.797 64 A CB 0.222 19.224 19.000 0.004 0.000 1.047 64 A HN 0.722 nan 8.150 nan 0.000 0.494 65 N N 0.785 119.498 118.700 0.021 0.000 2.149 65 N HA -0.184 4.567 4.740 0.018 0.000 0.188 65 N C 2.061 177.589 175.510 0.030 0.000 1.019 65 N CA 1.926 54.994 53.050 0.030 0.000 0.857 65 N CB -0.560 37.948 38.487 0.036 0.000 0.997 65 N HN 0.786 nan 8.380 nan 0.000 0.426 66 S N -0.047 115.675 115.700 0.036 0.000 2.400 66 S HA -0.089 4.391 4.470 0.018 0.000 0.232 66 S C 2.066 176.711 174.600 0.075 0.000 1.025 66 S CA 1.049 59.281 58.200 0.053 0.000 0.993 66 S CB -0.759 62.476 63.200 0.057 0.000 0.808 66 S HN 0.076 nan 8.310 nan 0.000 0.478 67 V N 2.631 122.583 119.914 0.063 0.000 2.490 67 V HA -0.042 4.088 4.120 0.018 0.000 0.250 67 V C 2.171 178.327 176.094 0.102 0.000 1.061 67 V CA 1.806 64.170 62.300 0.106 0.000 1.064 67 V CB -0.899 30.940 31.823 0.026 0.000 0.670 67 V HN 0.841 nan 8.190 nan 0.000 0.461 68 I N -2.848 117.719 120.570 -0.005 0.000 3.976 68 I HA 0.267 4.448 4.170 0.018 0.000 0.337 68 I C 1.825 177.998 176.117 0.092 0.000 1.359 68 I CA 0.372 61.668 61.300 -0.006 0.000 1.098 68 I CB -0.149 37.720 38.000 -0.219 0.000 1.027 68 I HN 0.181 nan 8.210 nan 0.000 0.394 69 E N 1.619 121.874 120.200 0.092 0.000 2.023 69 E HA -0.268 4.093 4.350 0.018 0.000 0.196 69 E C 2.076 178.738 176.600 0.105 0.000 1.003 69 E CA 1.947 58.401 56.400 0.090 0.000 0.809 69 E CB -0.020 29.721 29.700 0.068 0.000 0.755 69 E HN 0.543 nan 8.360 nan 0.000 0.449 70 L N 0.758 122.042 121.223 0.102 0.000 2.046 70 L HA -0.074 4.276 4.340 0.018 0.000 0.208 70 L C 2.251 179.179 176.870 0.098 0.000 1.077 70 L CA 2.164 57.047 54.840 0.072 0.000 0.747 70 L CB -0.805 41.277 42.059 0.038 0.000 0.896 70 L HN 0.219 nan 8.230 nan 0.000 0.432 71 A N -0.575 122.370 122.820 0.207 0.000 1.908 71 A HA -0.197 4.133 4.320 0.018 0.000 0.218 71 A C 2.280 180.102 177.584 0.396 0.000 1.181 71 A CA 2.075 54.344 52.037 0.387 0.000 0.627 71 A CB -0.871 18.427 19.000 0.498 0.000 0.818 71 A HN 0.502 nan 8.150 nan 0.000 0.445 72 L N -0.996 120.407 121.223 0.301 0.000 2.017 72 L HA -0.170 4.181 4.340 0.018 0.000 0.208 72 L C 2.859 179.965 176.870 0.393 0.000 1.073 72 L CA 1.836 56.893 54.840 0.363 0.000 0.745 72 L CB -1.026 41.198 42.059 0.276 0.000 0.894 72 L HN 0.350 nan 8.230 nan 0.000 0.432 73 T N -0.278 114.419 114.554 0.238 0.000 2.665 73 T HA -0.191 4.169 4.350 0.018 0.000 0.268 73 T C 1.709 176.539 174.700 0.217 0.000 1.035 73 T CA 1.734 63.948 62.100 0.191 0.000 1.151 73 T CB -0.281 68.642 68.868 0.091 0.000 0.862 73 T HN 0.282 nan 8.240 nan 0.000 0.438 74 N N 1.040 119.822 118.700 0.137 0.000 2.270 74 N HA 0.074 4.825 4.740 0.018 0.000 0.181 74 N C 2.100 177.794 175.510 0.306 0.000 1.016 74 N CA 1.096 54.188 53.050 0.071 0.000 0.870 74 N CB -0.576 37.666 38.487 -0.407 0.000 0.979 74 N HN 0.425 nan 8.380 nan 0.000 0.431 75 A N 0.363 123.443 122.820 0.433 0.000 1.883 75 A HA -0.112 4.219 4.320 0.018 0.000 0.217 75 A C 1.969 179.606 177.584 0.089 0.000 1.186 75 A CA 1.152 53.372 52.037 0.305 0.000 0.624 75 A CB -0.923 18.188 19.000 0.185 0.000 0.822 75 A HN 0.219 nan 8.150 nan 0.000 0.444 76 F N -0.565 119.505 119.950 0.199 0.000 2.259 76 F HA -0.073 4.471 4.527 0.029 0.000 0.298 76 F C 2.383 178.280 175.800 0.163 0.000 1.088 76 F CA 1.125 59.218 58.000 0.155 0.000 1.358 76 F CB -0.311 38.763 39.000 0.123 0.000 1.040 76 F HN 0.017 nan 8.300 nan 0.000 0.505 77 V N -0.633 119.477 119.914 0.327 0.000 2.287 77 V HA -0.276 3.855 4.120 0.018 0.000 0.248 77 V C 2.251 178.548 176.094 0.338 0.000 1.053 77 V CA 1.656 64.139 62.300 0.305 0.000 1.027 77 V CB -0.680 31.307 31.823 0.273 0.000 0.646 77 V HN 0.149 nan 8.190 nan 0.000 0.447 78 V N -1.206 118.899 119.914 0.318 0.000 2.427 78 V HA -0.283 3.848 4.120 0.018 0.000 0.248 78 V C 2.527 178.690 176.094 0.115 0.000 1.051 78 V CA 2.003 64.451 62.300 0.247 0.000 1.048 78 V CB -0.641 31.342 31.823 0.267 0.000 0.666 78 V HN 0.766 nan 8.190 nan 0.000 0.456 79 c N 0.262 118.905 118.600 0.072 0.000 2.413 79 c HA -0.220 4.360 4.570 0.018 0.000 0.276 79 c C 2.853 176.976 174.090 0.055 0.000 1.236 79 c CA 1.999 58.332 56.329 0.007 0.000 1.735 79 c CB -0.750 41.717 42.510 -0.071 0.000 2.031 79 c HN 0.745 nan 8.230 nan 0.000 0.474 80 E N -1.454 118.826 120.200 0.134 0.000 2.072 80 E HA -0.257 4.104 4.350 0.018 0.000 0.191 80 E C 2.070 178.753 176.600 0.138 0.000 0.985 80 E CA 1.570 58.055 56.400 0.141 0.000 0.801 80 E CB -0.555 29.252 29.700 0.178 0.000 0.750 80 E HN 0.790 nan 8.360 nan 0.000 0.452 81 Y N 0.946 121.250 120.300 0.006 0.000 2.097 81 Y HA -0.224 4.336 4.550 0.016 0.000 0.282 81 Y C 1.994 177.821 175.900 -0.121 0.000 1.152 81 Y CA 1.640 59.687 58.100 -0.089 0.000 1.136 81 Y CB -0.675 37.595 38.460 -0.315 0.000 0.975 81 Y HN -0.060 nan 8.280 nan 0.000 0.498 82 V N 0.181 119.885 119.914 -0.349 0.000 2.307 82 V HA -0.272 3.859 4.120 0.018 0.000 0.245 82 V C 2.512 178.476 176.094 -0.217 0.000 1.045 82 V CA 2.617 64.672 62.300 -0.409 0.000 1.024 82 V CB -1.311 30.346 31.823 -0.278 0.000 0.651 82 V HN 0.685 nan 8.190 nan 0.000 0.449 83 T N -2.922 111.567 114.554 -0.108 0.000 3.054 83 T HA 0.246 4.607 4.350 0.018 0.000 0.259 83 T C 1.613 176.293 174.700 -0.033 0.000 1.092 83 T CA 1.069 63.135 62.100 -0.058 0.000 1.121 83 T CB 0.521 69.376 68.868 -0.020 0.000 0.912 83 T HN 1.003 nan 8.240 nan 0.000 0.489 84 G N 1.094 109.884 108.800 -0.017 0.000 2.157 84 G HA2 -0.184 3.786 3.960 0.018 0.000 0.248 84 G HA3 -0.184 3.786 3.960 0.018 0.000 0.248 84 G C 0.178 175.100 174.900 0.036 0.000 0.979 84 G CA 0.346 45.453 45.100 0.013 0.000 0.650 84 G HN 1.542 nan 8.290 nan 0.000 0.529 85 S N -0.996 114.731 115.700 0.044 0.000 2.579 85 S HA 0.598 5.079 4.470 0.018 0.000 0.272 85 S C -0.901 173.746 174.600 0.080 0.000 1.141 85 S CA -0.315 57.919 58.200 0.057 0.000 0.843 85 S CB 2.493 65.719 63.200 0.044 0.000 1.122 85 S HN 0.325 nan 8.310 nan 0.000 0.468 86 D N -0.002 120.449 120.400 0.086 0.000 2.493 86 D HA 0.044 4.694 4.640 0.018 0.000 0.240 86 D C 0.341 176.716 176.300 0.125 0.000 1.142 86 D CA 0.040 54.105 54.000 0.110 0.000 0.872 86 D CB 0.708 41.561 40.800 0.088 0.000 1.173 86 D HN 0.627 nan 8.370 nan 0.000 0.467 87 c N 3.481 122.195 118.600 0.189 0.000 2.791 87 c HA 0.320 4.901 4.570 0.018 0.000 0.270 87 c C 1.581 175.826 174.090 0.257 0.000 1.257 87 c CA 0.103 56.567 56.329 0.225 0.000 1.699 87 c CB -1.186 41.481 42.510 0.263 0.000 1.904 87 c HN 0.900 nan 8.230 nan 0.000 0.603 88 G N 1.789 110.692 108.800 0.171 0.000 2.629 88 G HA2 -0.358 3.613 3.960 0.018 0.000 0.313 88 G HA3 -0.358 3.613 3.960 0.018 0.000 0.313 88 G C 0.199 175.093 174.900 -0.011 0.000 1.217 88 G CA 1.036 46.179 45.100 0.073 0.000 0.994 88 G HN 0.440 nan 8.290 nan 0.000 0.549 89 D N 0.247 120.656 120.400 0.015 0.000 2.788 89 D HA 0.492 5.143 4.640 0.018 0.000 0.289 89 D C -0.111 176.310 176.300 0.202 0.000 1.340 89 D CA 0.836 54.806 54.000 -0.049 0.000 0.831 89 D CB -0.074 40.676 40.800 -0.084 0.000 1.103 89 D HN 0.497 nan 8.370 nan 0.000 0.476 90 S N 0.916 116.831 115.700 0.357 0.000 2.524 90 S HA 0.293 4.773 4.470 0.018 0.000 0.227 90 S C -0.885 173.884 174.600 0.282 0.000 1.304 90 S CA -0.730 57.639 58.200 0.283 0.000 1.185 90 S CB -0.042 63.252 63.200 0.157 0.000 1.104 90 S HN 0.250 nan 8.310 nan 0.000 0.475 91 L N 6.570 127.924 121.223 0.218 0.000 2.584 91 L HA 0.206 4.557 4.340 0.018 0.000 0.272 91 L C 1.332 178.175 176.870 -0.045 0.000 1.195 91 L CA 0.693 55.438 54.840 -0.158 0.000 0.920 91 L CB 0.494 42.334 42.059 -0.366 0.000 1.173 91 L HN 0.539 nan 8.230 nan 0.000 0.489 92 V N 3.969 123.855 119.914 -0.045 0.000 2.255 92 V HA -0.198 3.933 4.120 0.018 0.000 0.247 92 V C 0.755 176.838 176.094 -0.018 0.000 1.051 92 V CA 2.142 64.435 62.300 -0.011 0.000 1.018 92 V CB -0.951 30.866 31.823 -0.011 0.000 0.641 92 V HN 1.096 nan 8.190 nan 0.000 0.445 93 N N -3.002 115.673 118.700 -0.041 0.000 3.106 93 N HA 0.274 5.025 4.740 0.018 0.000 0.253 93 N C -0.236 175.248 175.510 -0.044 0.000 1.506 93 N CA -0.737 52.294 53.050 -0.031 0.000 0.876 93 N CB 0.847 39.322 38.487 -0.020 0.000 1.452 93 N HN -0.087 nan 8.380 nan 0.000 0.542 94 L N -0.566 120.640 121.223 -0.029 0.000 2.209 94 L HA 0.060 4.410 4.340 0.018 0.000 0.207 94 L C 1.548 178.398 176.870 -0.034 0.000 1.094 94 L CA 1.104 55.927 54.840 -0.029 0.000 0.790 94 L CB -0.480 41.571 42.059 -0.013 0.000 0.932 94 L HN 0.692 nan 8.230 nan 0.000 0.447 95 T N 1.331 115.869 114.554 -0.026 0.000 2.788 95 T HA -0.152 4.208 4.350 0.018 0.000 0.268 95 T C 1.783 176.462 174.700 -0.034 0.000 1.044 95 T CA 1.590 63.678 62.100 -0.021 0.000 1.139 95 T CB -0.294 68.569 68.868 -0.009 0.000 0.867 95 T HN 0.305 nan 8.240 nan 0.000 0.454 96 L N 0.169 121.365 121.223 -0.045 0.000 2.353 96 L HA 0.128 4.478 4.340 0.018 0.000 0.220 96 L C 1.908 178.748 176.870 -0.050 0.000 1.133 96 L CA 1.395 56.200 54.840 -0.060 0.000 0.798 96 L CB -1.262 40.755 42.059 -0.071 0.000 0.922 96 L HN 0.158 nan 8.230 nan 0.000 0.445 97 L N 0.387 121.582 121.223 -0.047 0.000 2.456 97 L HA -0.013 4.338 4.340 0.018 0.000 0.224 97 L C 2.430 179.270 176.870 -0.050 0.000 1.148 97 L CA 0.702 55.514 54.840 -0.046 0.000 0.825 97 L CB -0.656 41.339 42.059 -0.107 0.000 0.937 97 L HN 0.480 nan 8.230 nan 0.000 0.450 98 A N -0.397 122.393 122.820 -0.051 0.000 2.327 98 A HA 0.004 4.335 4.320 0.018 0.000 0.228 98 A C 0.755 178.299 177.584 -0.067 0.000 1.275 98 A CA -0.225 51.782 52.037 -0.050 0.000 0.875 98 A CB -0.460 18.521 19.000 -0.031 0.000 0.925 98 A HN 0.259 nan 8.150 nan 0.000 0.493 99 E N 2.360 122.523 120.200 -0.062 0.000 2.493 99 E HA 0.120 4.480 4.350 0.018 0.000 0.255 99 E C -2.249 174.306 176.600 -0.074 0.000 0.999 99 E CA -1.803 54.539 56.400 -0.096 0.000 0.934 99 E CB 0.426 30.076 29.700 -0.083 0.000 0.940 99 E HN 0.301 nan 8.360 nan 0.000 0.473 100 P HA 0.020 nan 4.420 nan 0.000 0.274 100 P C -0.685 176.607 177.300 -0.013 0.000 1.246 100 P CA 0.022 62.963 63.100 -0.265 0.000 0.795 100 P CB 0.253 31.473 31.700 -0.800 0.000 1.006 101 H N -1.392 117.668 119.070 -0.017 0.000 2.655 101 H HA -0.185 4.381 4.556 0.017 0.000 0.313 101 H C 0.585 176.029 175.328 0.193 0.000 1.141 101 H CA 0.150 56.191 56.048 -0.012 0.000 1.138 101 H CB -1.382 28.284 29.762 -0.159 0.000 1.446 101 H HN 0.622 nan 8.280 nan 0.000 0.415 102 A N -0.015 123.020 122.820 0.358 0.000 2.497 102 A HA 0.373 4.703 4.320 0.018 0.000 0.186 102 A C 0.762 178.610 177.584 0.440 0.000 1.242 102 A CA 0.024 52.361 52.037 0.499 0.000 1.625 102 A CB -0.409 18.838 19.000 0.412 0.000 2.054 102 A HN 0.116 nan 8.150 nan 0.000 0.753 103 F N 1.234 121.338 119.950 0.257 0.000 2.118 103 F HA 0.211 4.746 4.527 0.013 0.000 0.293 103 F C 1.085 176.994 175.800 0.183 0.000 1.102 103 F CA 1.176 59.301 58.000 0.208 0.000 1.247 103 F CB -0.193 38.917 39.000 0.184 0.000 1.017 103 F HN 0.393 nan 8.300 nan 0.000 0.475 104 E N 1.174 121.556 120.200 0.303 0.000 2.413 104 E HA 0.031 4.392 4.350 0.018 0.000 0.263 104 E C -1.120 175.547 176.600 0.113 0.000 1.015 104 E CA 0.318 56.754 56.400 0.060 0.000 0.916 104 E CB 0.318 30.005 29.700 -0.020 0.000 0.947 104 E HN 0.576 nan 8.360 nan 0.000 0.440 105 H N 0.235 119.342 119.070 0.061 0.000 2.990 105 H HA 0.423 4.989 4.556 0.017 0.000 0.343 105 H C -0.749 174.527 175.328 -0.087 0.000 1.270 105 H CA -1.010 55.034 56.048 -0.008 0.000 1.118 105 H CB 0.452 30.166 29.762 -0.079 0.000 1.861 105 H HN 0.199 nan 8.280 nan 0.000 0.544 106 D N 0.058 120.474 120.400 0.026 0.000 2.384 106 D HA 0.078 4.729 4.640 0.018 0.000 0.244 106 D C 0.214 176.362 176.300 -0.253 0.000 1.251 106 D CA 0.970 54.970 54.000 0.001 0.000 0.961 106 D CB -0.086 40.718 40.800 0.007 0.000 1.116 106 D HN 1.065 nan 8.370 nan 0.000 0.484 107 H N -2.869 116.355 119.070 0.256 0.000 2.692 107 H HA -0.154 4.413 4.556 0.018 0.000 0.316 107 H C -0.631 174.749 175.328 0.087 0.000 1.176 107 H CA 0.559 56.737 56.048 0.216 0.000 1.142 107 H CB -2.381 27.555 29.762 0.290 0.000 1.475 107 H HN 0.026 nan 8.280 nan 0.000 0.423 108 S N -0.498 115.211 115.700 0.015 0.000 2.584 108 S HA 0.191 4.672 4.470 0.018 0.000 0.270 108 S C 1.150 175.780 174.600 0.050 0.000 1.346 108 S CA -0.105 58.081 58.200 -0.023 0.000 1.018 108 S CB 0.197 63.370 63.200 -0.045 0.000 0.899 108 S HN 0.371 nan 8.310 nan 0.000 0.542 109 F N 1.133 121.287 119.950 0.340 0.000 2.259 109 F HA -0.009 4.528 4.527 0.016 0.000 0.298 109 F C 2.288 178.307 175.800 0.365 0.000 1.088 109 F CA 0.979 59.230 58.000 0.417 0.000 1.358 109 F CB -0.134 39.249 39.000 0.639 0.000 1.040 109 F HN 0.628 nan 8.300 nan 0.000 0.505 110 S N -2.320 113.620 115.700 0.400 0.000 2.817 110 S HA 0.400 4.880 4.470 0.018 0.000 0.262 110 S C 0.202 174.729 174.600 -0.123 0.000 1.051 110 S CA -0.627 57.662 58.200 0.148 0.000 1.185 110 S CB 0.313 63.581 63.200 0.112 0.000 1.152 110 S HN -0.015 nan 8.310 nan 0.000 0.653 111 R N 1.852 122.323 120.500 -0.048 0.000 2.740 111 R HA 0.610 4.961 4.340 0.018 0.000 0.282 111 R C -0.615 175.657 176.300 -0.046 0.000 0.969 111 R CA -0.565 55.475 56.100 -0.100 0.000 0.918 111 R CB 0.992 31.240 30.300 -0.087 0.000 1.175 111 R HN 0.175 nan 8.270 nan 0.000 0.464 112 K N 0.915 121.281 120.400 -0.057 0.000 2.180 112 K HA 0.144 4.474 4.320 0.018 0.000 0.251 112 K C -0.438 176.182 176.600 0.033 0.000 1.014 112 K CA -0.398 55.883 56.287 -0.010 0.000 0.913 112 K CB 0.436 32.915 32.500 -0.036 0.000 1.008 112 K HN 0.448 nan 8.250 nan 0.000 0.490 113 D N 0.358 120.810 120.400 0.086 0.000 2.313 113 D HA -0.014 4.636 4.640 0.018 0.000 0.247 113 D C 0.762 177.098 176.300 0.059 0.000 1.094 113 D CA -0.062 54.032 54.000 0.156 0.000 0.925 113 D CB 0.437 41.424 40.800 0.312 0.000 1.188 113 D HN 0.431 nan 8.370 nan 0.000 0.430 114 Y N 1.258 121.484 120.300 -0.122 0.000 2.193 114 Y HA -0.192 4.369 4.550 0.018 0.000 0.285 114 Y C 1.179 176.747 175.900 -0.554 0.000 1.166 114 Y CA 1.692 59.575 58.100 -0.362 0.000 1.181 114 Y CB 0.303 38.448 38.460 -0.524 0.000 0.976 114 Y HN 0.214 nan 8.280 nan 0.000 0.520 115 K N 0.716 120.649 120.400 -0.778 0.000 2.726 115 K HA 0.085 4.415 4.320 0.018 0.000 0.209 115 K C -0.297 176.200 176.600 -0.172 0.000 1.082 115 K CA -0.201 55.725 56.287 -0.601 0.000 1.081 115 K CB 0.451 32.482 32.500 -0.783 0.000 0.830 115 K HN 0.243 nan 8.250 nan 0.000 0.470 116 Q N 0.568 120.316 119.800 -0.086 0.000 2.271 116 Q HA 0.061 4.412 4.340 0.018 0.000 0.273 116 Q C 0.681 176.684 176.000 0.004 0.000 1.051 116 Q CA 0.746 56.567 55.803 0.029 0.000 0.901 116 Q CB 0.366 29.130 28.738 0.043 0.000 1.174 116 Q HN 0.597 nan 8.270 nan 0.000 0.385 117 G N 2.654 111.484 108.800 0.050 0.000 2.179 117 G HA2 -0.278 3.693 3.960 0.018 0.000 0.257 117 G HA3 -0.278 3.693 3.960 0.018 0.000 0.257 117 G C 0.077 174.994 174.900 0.028 0.000 1.010 117 G CA 0.331 45.452 45.100 0.035 0.000 0.736 117 G HN 0.928 nan 8.290 nan 0.000 0.513 118 V N -2.660 117.281 119.914 0.046 0.000 2.649 118 V HA 0.804 4.935 4.120 0.018 0.000 0.292 118 V C 1.369 177.541 176.094 0.130 0.000 1.055 118 V CA 0.461 62.765 62.300 0.007 0.000 1.023 118 V CB 1.181 32.930 31.823 -0.124 0.000 0.992 118 V HN 1.242 nan 8.190 nan 0.000 0.480 119 A N 3.723 126.578 122.820 0.058 0.000 2.016 119 A HA 0.177 4.507 4.320 0.018 0.000 0.217 119 A C 0.942 178.624 177.584 0.163 0.000 1.162 119 A CA 0.854 52.957 52.037 0.109 0.000 0.662 119 A CB -0.734 18.289 19.000 0.038 0.000 0.812 119 A HN 0.936 nan 8.150 nan 0.000 0.450 120 N N -1.579 117.116 118.700 -0.009 0.000 2.269 120 N HA 0.325 5.075 4.740 0.018 0.000 0.304 120 N C 0.874 176.052 175.510 -0.554 0.000 1.072 120 N CA 0.312 53.284 53.050 -0.130 0.000 0.802 120 N CB 1.896 40.328 38.487 -0.092 0.000 1.348 120 N HN 0.128 nan 8.380 nan 0.000 0.484 121 S N 1.383 116.608 115.700 -0.791 0.000 2.400 121 S HA -0.206 4.274 4.470 0.018 0.000 0.232 121 S C 1.029 175.323 174.600 -0.511 0.000 1.025 121 S CA 1.322 58.837 58.200 -1.143 0.000 0.993 121 S CB -0.389 62.514 63.200 -0.495 0.000 0.808 121 S HN 0.606 nan 8.310 nan 0.000 0.478 122 N N 1.455 119.994 118.700 -0.268 0.000 2.463 122 N HA 0.088 4.839 4.740 0.018 0.000 0.181 122 N C -0.619 174.837 175.510 -0.089 0.000 1.078 122 N CA 0.348 53.335 53.050 -0.105 0.000 0.902 122 N CB 0.047 38.510 38.487 -0.040 0.000 0.970 122 N HN 0.428 nan 8.380 nan 0.000 0.451 123 D N -0.101 120.168 120.400 -0.218 0.000 2.344 123 D HA 0.227 4.877 4.640 0.018 0.000 0.244 123 D C -0.371 175.757 176.300 -0.287 0.000 1.134 123 D CA 0.142 53.991 54.000 -0.252 0.000 0.930 123 D CB 0.656 41.292 40.800 -0.273 0.000 1.175 123 D HN 0.080 nan 8.370 nan 0.000 0.437 124 F N -0.938 118.706 119.950 -0.509 0.000 2.662 124 F HA 0.667 5.205 4.527 0.018 0.000 0.312 124 F C -0.959 174.512 175.800 -0.549 0.000 1.113 124 F CA -1.196 56.316 58.000 -0.814 0.000 0.951 124 F CB 0.825 38.923 39.000 -1.503 0.000 1.344 124 F HN 0.285 nan 8.300 nan 0.000 0.462 125 I N -1.806 118.538 120.570 -0.376 0.000 3.457 125 I HA 0.587 4.767 4.170 0.018 0.000 0.307 125 I C -1.161 174.915 176.117 -0.068 0.000 1.138 125 I CA -0.998 60.157 61.300 -0.243 0.000 0.974 125 I CB 1.786 39.666 38.000 -0.199 0.000 1.324 125 I HN 0.601 nan 8.210 nan 0.000 0.485 126 D N 2.680 123.049 120.400 -0.052 0.000 2.359 126 D HA 0.056 4.707 4.640 0.018 0.000 0.250 126 D C 0.062 176.364 176.300 0.004 0.000 1.264 126 D CA -0.013 53.990 54.000 0.005 0.000 0.911 126 D CB 0.128 40.916 40.800 -0.020 0.000 1.056 126 D HN 0.654 nan 8.370 nan 0.000 0.499 127 N N 3.369 122.104 118.700 0.060 0.000 2.276 127 N HA -0.002 4.749 4.740 0.018 0.000 0.212 127 N C 0.947 176.457 175.510 0.000 0.000 1.127 127 N CA -0.164 52.912 53.050 0.043 0.000 0.834 127 N CB 0.387 38.947 38.487 0.121 0.000 1.014 127 N HN 0.422 nan 8.380 nan 0.000 0.491 128 R N -0.098 120.399 120.500 -0.006 0.000 2.197 128 R HA 0.223 4.573 4.340 0.018 0.000 0.188 128 R C -0.307 175.969 176.300 -0.040 0.000 1.015 128 R CA -0.176 55.911 56.100 -0.022 0.000 1.132 128 R CB 0.142 30.446 30.300 0.007 0.000 1.134 128 R HN 0.008 nan 8.270 nan 0.000 0.560 129 N N 1.253 119.937 118.700 -0.026 0.000 2.508 129 N HA -0.034 4.716 4.740 0.018 0.000 0.264 129 N C -0.753 174.667 175.510 -0.150 0.000 1.216 129 N CA -0.024 53.009 53.050 -0.029 0.000 0.943 129 N CB 0.392 38.903 38.487 0.041 0.000 1.113 129 N HN 0.041 nan 8.380 nan 0.000 0.447 130 F N 1.218 120.903 119.950 -0.441 0.000 2.623 130 F HA -0.095 4.443 4.527 0.017 0.000 0.383 130 F C 0.436 175.915 175.800 -0.535 0.000 1.077 130 F CA 0.101 57.725 58.000 -0.625 0.000 1.268 130 F CB 0.247 38.623 39.000 -1.040 0.000 1.053 130 F HN 0.396 nan 8.300 nan 0.000 0.571 131 D N 5.116 124.820 120.400 -1.159 0.000 2.471 131 D HA 0.480 5.131 4.640 0.018 0.000 0.245 131 D C 0.546 176.258 176.300 -0.981 0.000 1.116 131 D CA 0.050 53.573 54.000 -0.795 0.000 0.853 131 D CB 1.592 42.153 40.800 -0.399 0.000 1.123 131 D HN 0.654 nan 8.370 nan 0.000 0.540 132 A N 3.918 126.309 122.820 -0.715 0.000 1.908 132 A HA -0.207 4.123 4.320 0.018 0.000 0.218 132 A C 1.919 179.401 177.584 -0.170 0.000 1.181 132 A CA 1.236 53.072 52.037 -0.336 0.000 0.627 132 A CB -0.447 18.552 19.000 -0.002 0.000 0.818 132 A HN 0.679 nan 8.150 nan 0.000 0.445 133 E N -0.259 119.848 120.200 -0.155 0.000 2.077 133 E HA -0.160 4.200 4.350 0.018 0.000 0.193 133 E C 2.033 178.585 176.600 -0.080 0.000 0.989 133 E CA 1.873 58.218 56.400 -0.092 0.000 0.800 133 E CB -0.414 29.240 29.700 -0.076 0.000 0.746 133 E HN 0.540 nan 8.360 nan 0.000 0.452 134 T N 1.041 115.529 114.554 -0.109 0.000 2.708 134 T HA -0.147 4.214 4.350 0.018 0.000 0.266 134 T C 1.504 176.229 174.700 0.042 0.000 1.037 134 T CA 1.285 63.361 62.100 -0.040 0.000 1.146 134 T CB -0.495 68.338 68.868 -0.058 0.000 0.865 134 T HN 0.167 nan 8.240 nan 0.000 0.435 135 F N 2.033 121.857 119.950 -0.209 0.000 2.171 135 F HA -0.053 4.485 4.527 0.019 0.000 0.300 135 F C 2.456 178.189 175.800 -0.112 0.000 1.090 135 F CA 0.995 58.913 58.000 -0.136 0.000 1.293 135 F CB -0.678 38.249 39.000 -0.121 0.000 1.013 135 F HN 0.027 nan 8.300 nan 0.000 0.486 136 Q N 0.095 119.824 119.800 -0.119 0.000 2.170 136 Q HA -0.157 4.194 4.340 0.018 0.000 0.203 136 Q C 2.338 178.248 176.000 -0.149 0.000 0.976 136 Q CA 2.348 58.039 55.803 -0.187 0.000 0.858 136 Q CB -0.707 27.972 28.738 -0.098 0.000 0.907 136 Q HN 0.542 nan 8.270 nan 0.000 0.433 137 T N -3.361 111.150 114.554 -0.071 0.000 2.867 137 T HA -0.058 4.303 4.350 0.018 0.000 0.268 137 T C 1.972 176.661 174.700 -0.019 0.000 1.057 137 T CA 1.435 63.517 62.100 -0.029 0.000 1.136 137 T CB -0.306 68.569 68.868 0.011 0.000 0.874 137 T HN 0.125 nan 8.240 nan 0.000 0.466 138 S N 1.458 117.146 115.700 -0.020 0.000 2.357 138 S HA 0.210 4.691 4.470 0.018 0.000 0.221 138 S C 1.957 176.475 174.600 -0.137 0.000 1.031 138 S CA 0.923 59.141 58.200 0.030 0.000 0.982 138 S CB -0.477 62.842 63.200 0.198 0.000 0.853 138 S HN 0.422 nan 8.310 nan 0.000 0.458 139 L N 1.499 122.496 121.223 -0.377 0.000 2.083 139 L HA -0.140 4.211 4.340 0.018 0.000 0.209 139 L C 1.958 178.719 176.870 -0.181 0.000 1.083 139 L CA 0.983 55.602 54.840 -0.368 0.000 0.752 139 L CB -0.640 41.091 42.059 -0.547 0.000 0.899 139 L HN 0.181 nan 8.230 nan 0.000 0.433 140 D N -0.336 119.978 120.400 -0.143 0.000 2.218 140 D HA -0.138 4.513 4.640 0.018 0.000 0.204 140 D C 2.291 178.556 176.300 -0.059 0.000 0.976 140 D CA 0.917 54.867 54.000 -0.084 0.000 0.853 140 D CB -0.074 40.688 40.800 -0.064 0.000 0.939 140 D HN 0.098 nan 8.370 nan 0.000 0.481 141 V N 0.590 120.468 119.914 -0.060 0.000 2.490 141 V HA -0.161 3.969 4.120 0.018 0.000 0.250 141 V C 1.912 177.972 176.094 -0.057 0.000 1.061 141 V CA 1.475 63.747 62.300 -0.048 0.000 1.064 141 V CB -0.333 31.464 31.823 -0.043 0.000 0.670 141 V HN 0.204 nan 8.190 nan 0.000 0.461 142 V N -2.103 117.767 119.914 -0.074 0.000 2.982 142 V HA 0.712 4.842 4.120 0.018 0.000 0.368 142 V C 0.606 176.698 176.094 -0.003 0.000 1.350 142 V CA -0.522 61.758 62.300 -0.034 0.000 1.251 142 V CB -0.405 31.390 31.823 -0.047 0.000 1.284 142 V HN 0.222 nan 8.190 nan 0.000 0.533 143 A N 0.720 123.528 122.820 -0.020 0.000 2.520 143 A HA 0.511 4.841 4.320 0.018 0.000 0.235 143 A C 1.703 179.290 177.584 0.004 0.000 1.065 143 A CA 0.876 52.904 52.037 -0.017 0.000 0.764 143 A CB -0.470 18.516 19.000 -0.024 0.000 1.002 143 A HN 2.124 nan 8.150 nan 0.000 0.502 144 G N 0.940 109.743 108.800 0.006 0.000 2.168 144 G HA2 -0.246 3.725 3.960 0.018 0.000 0.263 144 G HA3 -0.246 3.725 3.960 0.018 0.000 0.263 144 G C 0.190 175.107 174.900 0.029 0.000 0.977 144 G CA 1.059 46.168 45.100 0.015 0.000 0.659 144 G HN 0.893 nan 8.290 nan 0.000 0.533 145 K N -0.654 119.772 120.400 0.042 0.000 2.221 145 K HA 0.639 4.970 4.320 0.018 0.000 0.243 145 K C 1.490 178.129 176.600 0.065 0.000 0.968 145 K CA -0.102 56.226 56.287 0.068 0.000 0.846 145 K CB 1.416 33.977 32.500 0.101 0.000 1.141 145 K HN 0.172 nan 8.250 nan 0.000 0.434 146 T N -2.579 112.023 114.554 0.080 0.000 3.015 146 T HA 0.123 4.484 4.350 0.018 0.000 0.250 146 T C 0.239 174.855 174.700 -0.141 0.000 1.057 146 T CA 0.430 62.535 62.100 0.008 0.000 1.066 146 T CB -0.066 68.842 68.868 0.066 0.000 0.959 146 T HN 0.515 nan 8.240 nan 0.000 0.488 147 H N 0.275 119.323 119.070 -0.036 0.000 2.928 147 H HA 0.655 5.221 4.556 0.017 0.000 0.371 147 H C -1.217 174.133 175.328 0.037 0.000 1.186 147 H CA -1.304 54.681 56.048 -0.105 0.000 1.134 147 H CB 1.670 31.341 29.762 -0.151 0.000 1.824 147 H HN 0.350 nan 8.280 nan 0.000 0.554 148 F N -0.796 119.178 119.950 0.039 0.000 2.645 148 F HA 0.587 5.124 4.527 0.017 0.000 0.310 148 F C -1.214 174.624 175.800 0.064 0.000 1.102 148 F CA -1.143 56.875 58.000 0.030 0.000 0.952 148 F CB 1.183 40.186 39.000 0.005 0.000 1.326 148 F HN 0.521 nan 8.300 nan 0.000 0.456 149 D N 0.286 120.911 120.400 0.375 0.000 2.616 149 D HA 0.263 4.913 4.640 0.018 0.000 0.260 149 D C 0.628 177.199 176.300 0.453 0.000 1.158 149 D CA -0.444 53.709 54.000 0.254 0.000 1.085 149 D CB 0.062 40.913 40.800 0.086 0.000 1.222 149 D HN 0.486 nan 8.370 nan 0.000 0.626 150 Y N -0.206 120.226 120.300 0.219 0.000 2.165 150 Y HA -0.053 4.507 4.550 0.017 0.000 0.286 150 Y C 2.667 178.661 175.900 0.157 0.000 1.155 150 Y CA 1.674 59.831 58.100 0.094 0.000 1.164 150 Y CB -1.228 37.154 38.460 -0.130 0.000 0.978 150 Y HN 0.547 nan 8.280 nan 0.000 0.513 151 A N 0.071 123.062 122.820 0.286 0.000 1.902 151 A HA -0.190 4.141 4.320 0.018 0.000 0.217 151 A C 2.018 179.705 177.584 0.172 0.000 1.181 151 A CA 1.980 54.127 52.037 0.183 0.000 0.623 151 A CB -0.703 18.375 19.000 0.130 0.000 0.818 151 A HN 0.388 nan 8.150 nan 0.000 0.443 152 D N -0.853 119.671 120.400 0.205 0.000 2.117 152 D HA -0.161 4.490 4.640 0.018 0.000 0.197 152 D C 1.830 178.160 176.300 0.049 0.000 0.987 152 D CA 1.803 55.873 54.000 0.117 0.000 0.829 152 D CB -0.375 40.518 40.800 0.155 0.000 0.961 152 D HN 0.434 nan 8.370 nan 0.000 0.460 153 M N 1.234 120.972 119.600 0.231 0.000 2.159 153 M HA -0.146 4.345 4.480 0.018 0.000 0.263 153 M C 1.513 177.955 176.300 0.236 0.000 1.063 153 M CA 1.289 56.725 55.300 0.226 0.000 1.110 153 M CB -0.438 32.529 32.600 0.613 0.000 1.374 153 M HN -0.172 nan 8.290 nan 0.000 0.411 154 N N 0.208 119.039 118.700 0.219 0.000 2.120 154 N HA -0.168 4.582 4.740 0.018 0.000 0.188 154 N C 1.508 177.090 175.510 0.120 0.000 1.024 154 N CA 1.616 54.762 53.050 0.160 0.000 0.852 154 N CB -0.165 38.394 38.487 0.118 0.000 1.003 154 N HN 0.437 nan 8.380 nan 0.000 0.424 155 E N 0.221 120.477 120.200 0.093 0.000 2.110 155 E HA -0.117 4.243 4.350 0.018 0.000 0.193 155 E C 2.170 178.814 176.600 0.073 0.000 0.988 155 E CA 0.645 57.081 56.400 0.061 0.000 0.804 155 E CB -0.184 29.537 29.700 0.036 0.000 0.745 155 E HN 0.525 nan 8.360 nan 0.000 0.458 156 I N 1.300 121.922 120.570 0.088 0.000 2.142 156 I HA -0.315 3.866 4.170 0.018 0.000 0.240 156 I C 2.635 178.907 176.117 0.258 0.000 1.078 156 I CA 1.680 63.076 61.300 0.160 0.000 1.343 156 I CB -0.306 37.793 38.000 0.165 0.000 1.046 156 I HN 0.079 nan 8.210 nan 0.000 0.405 157 R N 1.657 122.343 120.500 0.310 0.000 2.115 157 R HA -0.102 4.248 4.340 0.018 0.000 0.230 157 R C 1.964 178.315 176.300 0.085 0.000 1.111 157 R CA 1.433 57.661 56.100 0.213 0.000 0.976 157 R CB -1.186 29.251 30.300 0.229 0.000 0.870 157 R HN 0.285 nan 8.270 nan 0.000 0.445 158 L N 0.317 121.583 121.223 0.072 0.000 2.046 158 L HA -0.139 4.212 4.340 0.018 0.000 0.208 158 L C 2.843 179.723 176.870 0.017 0.000 1.077 158 L CA 1.686 56.539 54.840 0.020 0.000 0.747 158 L CB -0.524 41.547 42.059 0.021 0.000 0.896 158 L HN 0.308 nan 8.230 nan 0.000 0.432 159 Q N -0.107 119.720 119.800 0.045 0.000 2.084 159 Q HA -0.190 4.161 4.340 0.018 0.000 0.202 159 Q C 2.354 178.385 176.000 0.051 0.000 0.978 159 Q CA 1.505 57.331 55.803 0.039 0.000 0.844 159 Q CB 0.049 28.816 28.738 0.049 0.000 0.898 159 Q HN 0.179 nan 8.270 nan 0.000 0.426 160 R N 0.440 120.995 120.500 0.092 0.000 2.081 160 R HA -0.099 4.251 4.340 0.018 0.000 0.235 160 R C 2.124 178.506 176.300 0.137 0.000 1.131 160 R CA 1.619 57.794 56.100 0.124 0.000 0.960 160 R CB -0.539 29.844 30.300 0.140 0.000 0.856 160 R HN 0.536 nan 8.270 nan 0.000 0.436 161 E N 0.715 120.947 120.200 0.055 0.000 2.077 161 E HA -0.154 4.207 4.350 0.018 0.000 0.193 161 E C 2.016 178.548 176.600 -0.112 0.000 0.989 161 E CA 1.798 58.197 56.400 -0.001 0.000 0.800 161 E CB -0.045 29.563 29.700 -0.154 0.000 0.746 161 E HN 0.396 nan 8.360 nan 0.000 0.452 162 S N 0.992 116.637 115.700 -0.092 0.000 2.368 162 S HA -0.113 4.368 4.470 0.018 0.000 0.224 162 S C 2.138 176.671 174.600 -0.113 0.000 1.029 162 S CA 0.619 58.742 58.200 -0.128 0.000 0.988 162 S CB -0.536 62.620 63.200 -0.073 0.000 0.838 162 S HN 0.139 nan 8.310 nan 0.000 0.462 163 L N 1.398 122.597 121.223 -0.040 0.000 2.017 163 L HA -0.080 4.271 4.340 0.018 0.000 0.208 163 L C 2.998 179.869 176.870 0.002 0.000 1.073 163 L CA 1.522 56.355 54.840 -0.010 0.000 0.745 163 L CB -0.742 41.334 42.059 0.027 0.000 0.894 163 L HN 0.347 nan 8.230 nan 0.000 0.432 164 S N -0.263 115.471 115.700 0.057 0.000 2.368 164 S HA -0.178 4.302 4.470 0.018 0.000 0.224 164 S C 1.751 176.342 174.600 -0.014 0.000 1.029 164 S CA 1.468 59.772 58.200 0.174 0.000 0.988 164 S CB -0.398 63.092 63.200 0.483 0.000 0.838 164 S HN 0.403 nan 8.310 nan 0.000 0.462 165 N N 1.313 119.685 118.700 -0.548 0.000 2.223 165 N HA -0.103 4.648 4.740 0.018 0.000 0.185 165 N C 1.540 176.883 175.510 -0.278 0.000 1.016 165 N CA 1.260 53.815 53.050 -0.826 0.000 0.863 165 N CB -0.124 37.697 38.487 -1.109 0.000 0.983 165 N HN 0.513 nan 8.380 nan 0.000 0.429 166 E N -0.639 119.457 120.200 -0.175 0.000 2.112 166 E HA -0.013 4.348 4.350 0.018 0.000 0.190 166 E C 1.667 178.248 176.600 -0.032 0.000 0.979 166 E CA 0.634 56.981 56.400 -0.089 0.000 0.814 166 E CB 0.086 29.743 29.700 -0.072 0.000 0.762 166 E HN 0.369 nan 8.360 nan 0.000 0.460 167 L N 0.804 122.030 121.223 0.006 0.000 2.354 167 L HA 0.055 4.406 4.340 0.018 0.000 0.212 167 L C 0.320 177.246 176.870 0.093 0.000 1.091 167 L CA -0.080 54.785 54.840 0.041 0.000 0.828 167 L CB 0.127 42.212 42.059 0.044 0.000 0.973 167 L HN -0.043 nan 8.230 nan 0.000 0.461 168 D N 0.268 120.766 120.400 0.164 0.000 2.362 168 D HA 0.034 4.685 4.640 0.018 0.000 0.242 168 D C -0.255 176.200 176.300 0.259 0.000 1.132 168 D CA -0.176 53.992 54.000 0.280 0.000 0.907 168 D CB 0.614 41.724 40.800 0.517 0.000 1.195 168 D HN -0.197 nan 8.370 nan 0.000 0.429 169 F N 2.256 122.300 119.950 0.156 0.000 2.629 169 F HA 0.099 4.636 4.527 0.017 0.000 0.377 169 F C -1.751 174.180 175.800 0.219 0.000 1.101 169 F CA -1.300 56.784 58.000 0.140 0.000 1.301 169 F CB 0.290 39.342 39.000 0.087 0.000 1.062 169 F HN 0.148 nan 8.300 nan 0.000 0.583 170 P HA 0.137 nan 4.420 nan 0.000 0.261 170 P C 0.431 177.825 177.300 0.156 0.000 1.183 170 P CA 1.577 64.595 63.100 -0.136 0.000 0.761 170 P CB 0.386 31.901 31.700 -0.309 0.000 0.785 171 G N 2.543 111.479 108.800 0.226 0.000 2.241 171 G HA2 -0.265 3.706 3.960 0.018 0.000 0.244 171 G HA3 -0.265 3.706 3.960 0.018 0.000 0.244 171 G C 0.996 176.113 174.900 0.363 0.000 0.998 171 G CA 0.125 45.387 45.100 0.270 0.000 0.621 171 G HN 0.570 nan 8.290 nan 0.000 0.519 172 W N 1.007 122.499 121.300 0.319 0.000 2.408 172 W HA 0.314 4.984 4.660 0.017 0.000 0.311 172 W C 1.101 177.847 176.519 0.377 0.000 1.190 172 W CA 0.849 58.405 57.345 0.352 0.000 1.321 172 W CB -0.290 29.364 29.460 0.323 0.000 1.143 172 W HN 0.238 nan 8.180 nan 0.000 0.501 173 F N 3.492 123.561 119.950 0.198 0.000 2.623 173 F HA 0.063 4.601 4.527 0.019 0.000 0.383 173 F C -0.453 175.302 175.800 -0.075 0.000 1.077 173 F CA 1.413 59.472 58.000 0.099 0.000 1.268 173 F CB 0.684 39.784 39.000 0.166 0.000 1.053 173 F HN -0.360 nan 8.300 nan 0.000 0.571 174 T N 6.425 120.421 114.554 -0.930 0.000 2.949 174 T HA 0.128 4.489 4.350 0.018 0.000 0.300 174 T C -0.762 173.432 174.700 -0.844 0.000 0.988 174 T CA -0.721 60.904 62.100 -0.792 0.000 0.993 174 T CB 1.121 69.442 68.868 -0.912 0.000 0.984 174 T HN 0.664 nan 8.240 nan 0.000 0.442 175 E N 1.740 121.603 120.200 -0.561 0.000 2.384 175 E HA 0.265 4.625 4.350 0.018 0.000 0.266 175 E C -0.538 176.022 176.600 -0.067 0.000 1.012 175 E CA -0.025 56.252 56.400 -0.205 0.000 0.901 175 E CB 0.465 30.153 29.700 -0.019 0.000 0.967 175 E HN 0.491 nan 8.360 nan 0.000 0.435 176 S N 3.945 119.747 115.700 0.169 0.000 2.235 176 S HA 0.145 4.626 4.470 0.018 0.000 0.152 176 S C 0.364 174.933 174.600 -0.051 0.000 1.649 176 S CA -0.576 57.579 58.200 -0.076 0.000 1.277 176 S CB 0.642 63.673 63.200 -0.281 0.000 1.299 176 S HN 0.460 nan 8.310 nan 0.000 0.388 177 K N 1.847 122.242 120.400 -0.009 0.000 2.057 177 K HA -0.053 4.278 4.320 0.018 0.000 0.207 177 K C -1.096 175.474 176.600 -0.049 0.000 1.049 177 K CA 1.360 57.640 56.287 -0.011 0.000 0.931 177 K CB -0.734 31.755 32.500 -0.018 0.000 0.714 177 K HN 0.315 nan 8.250 nan 0.000 0.440 178 P HA -0.142 nan 4.420 nan 0.000 0.215 178 P C 1.160 178.409 177.300 -0.084 0.000 1.157 178 P CA 1.232 64.288 63.100 -0.073 0.000 0.863 178 P CB 0.077 31.730 31.700 -0.079 0.000 0.787 179 I N -0.970 119.527 120.570 -0.121 0.000 2.233 179 I HA -0.228 3.953 4.170 0.018 0.000 0.243 179 I C 2.742 178.809 176.117 -0.084 0.000 1.093 179 I CA 1.284 62.535 61.300 -0.081 0.000 1.380 179 I CB -0.655 37.339 38.000 -0.010 0.000 1.067 179 I HN -0.043 nan 8.210 nan 0.000 0.413 180 Q N 1.270 120.901 119.800 -0.283 0.000 2.096 180 Q HA -0.226 4.125 4.340 0.018 0.000 0.204 180 Q C 1.787 177.859 176.000 0.120 0.000 0.982 180 Q CA 1.813 57.561 55.803 -0.092 0.000 0.850 180 Q CB 0.014 28.679 28.738 -0.122 0.000 0.901 180 Q HN 0.479 nan 8.270 nan 0.000 0.422 181 N N -0.485 118.251 118.700 0.060 0.000 2.446 181 N HA -0.058 4.693 4.740 0.018 0.000 0.179 181 N C 1.637 177.172 175.510 0.042 0.000 1.054 181 N CA 0.690 53.806 53.050 0.109 0.000 0.905 181 N CB 0.328 38.864 38.487 0.082 0.000 0.973 181 N HN 0.120 nan 8.380 nan 0.000 0.448 182 V N 1.864 121.741 119.914 -0.061 0.000 2.295 182 V HA -0.223 3.908 4.120 0.018 0.000 0.246 182 V C 1.989 177.816 176.094 -0.446 0.000 1.049 182 V CA 1.677 63.827 62.300 -0.251 0.000 1.024 182 V CB -0.419 31.215 31.823 -0.317 0.000 0.648 182 V HN 0.266 nan 8.190 nan 0.000 0.447 183 E N 0.057 120.146 120.200 -0.186 0.000 2.110 183 E HA -0.163 4.197 4.350 0.018 0.000 0.193 183 E C 2.378 179.220 176.600 0.405 0.000 0.988 183 E CA 1.448 57.934 56.400 0.143 0.000 0.804 183 E CB -0.235 29.744 29.700 0.465 0.000 0.745 183 E HN 0.530 nan 8.360 nan 0.000 0.458 184 S N 0.371 116.324 115.700 0.421 0.000 2.365 184 S HA -0.186 4.294 4.470 0.018 0.000 0.225 184 S C 2.117 177.016 174.600 0.499 0.000 1.039 184 S CA 1.223 59.692 58.200 0.448 0.000 1.033 184 S CB -0.730 62.747 63.200 0.463 0.000 0.887 184 S HN 0.524 nan 8.310 nan 0.000 0.447 185 G N 1.039 110.060 108.800 0.369 0.000 2.442 185 G HA2 -0.168 3.802 3.960 0.018 0.000 0.219 185 G HA3 -0.168 3.802 3.960 0.018 0.000 0.219 185 G C 1.092 176.371 174.900 0.632 0.000 1.141 185 G CA 0.640 45.997 45.100 0.429 0.000 0.763 185 G HN 0.406 nan 8.290 nan 0.000 0.554 186 F N 1.044 121.251 119.950 0.429 0.000 2.126 186 F HA 0.020 4.559 4.527 0.020 0.000 0.299 186 F C 2.657 178.729 175.800 0.453 0.000 1.096 186 F CA 0.034 58.289 58.000 0.425 0.000 1.255 186 F CB -0.821 38.452 39.000 0.454 0.000 0.997 186 F HN 0.105 nan 8.300 nan 0.000 0.479 187 I N -1.451 119.485 120.570 0.611 0.000 2.179 187 I HA -0.322 3.859 4.170 0.018 0.000 0.242 187 I C 2.345 178.555 176.117 0.156 0.000 1.088 187 I CA 1.284 62.787 61.300 0.338 0.000 1.357 187 I CB -0.624 37.267 38.000 -0.181 0.000 1.051 187 I HN -0.062 nan 8.210 nan 0.000 0.409 188 F N 0.914 121.014 119.950 0.250 0.000 2.171 188 F HA -0.213 4.323 4.527 0.016 0.000 0.300 188 F C 2.585 178.629 175.800 0.407 0.000 1.090 188 F CA 1.403 59.574 58.000 0.285 0.000 1.293 188 F CB -0.677 38.533 39.000 0.351 0.000 1.013 188 F HN 0.007 nan 8.300 nan 0.000 0.486 189 A N -0.539 122.662 122.820 0.635 0.000 1.898 189 A HA -0.130 4.201 4.320 0.018 0.000 0.216 189 A C 2.061 179.709 177.584 0.107 0.000 1.181 189 A CA 1.557 53.726 52.037 0.221 0.000 0.620 189 A CB -0.846 18.333 19.000 0.298 0.000 0.819 189 A HN 0.345 nan 8.150 nan 0.000 0.442 190 L N -0.440 120.895 121.223 0.186 0.000 2.145 190 L HA 0.066 4.416 4.340 0.018 0.000 0.201 190 L C 1.680 178.710 176.870 0.266 0.000 1.075 190 L CA 1.938 56.849 54.840 0.120 0.000 0.773 190 L CB 0.347 42.302 42.059 -0.174 0.000 0.936 190 L HN 0.366 nan 8.230 nan 0.000 0.451 191 V N -3.104 116.953 119.914 0.239 0.000 3.070 191 V HA 0.403 4.533 4.120 0.018 0.000 0.345 191 V C 0.535 176.769 176.094 0.233 0.000 1.403 191 V CA -0.005 62.514 62.300 0.364 0.000 1.155 191 V CB -0.810 31.238 31.823 0.375 0.000 1.140 191 V HN 0.332 nan 8.190 nan 0.000 0.505 192 S N -0.094 115.693 115.700 0.145 0.000 2.593 192 S HA 0.316 4.796 4.470 0.018 0.000 0.269 192 S C -0.009 174.597 174.600 0.011 0.000 1.334 192 S CA -0.102 58.127 58.200 0.048 0.000 1.015 192 S CB 1.282 64.615 63.200 0.221 0.000 0.912 192 S HN 0.445 nan 8.310 nan 0.000 0.541 193 D N 1.749 122.070 120.400 -0.132 0.000 2.435 193 D HA 0.166 4.817 4.640 0.018 0.000 0.230 193 D C 0.667 176.860 176.300 -0.178 0.000 1.215 193 D CA -0.879 52.932 54.000 -0.316 0.000 0.947 193 D CB -0.467 40.198 40.800 -0.225 0.000 1.048 193 D HN 0.537 nan 8.370 nan 0.000 0.512 194 F N 1.763 121.781 119.950 0.114 0.000 2.641 194 F HA 0.093 4.631 4.527 0.018 0.000 0.298 194 F C 1.199 177.027 175.800 0.046 0.000 1.146 194 F CA -0.032 57.992 58.000 0.039 0.000 1.464 194 F CB -1.163 37.803 39.000 -0.057 0.000 1.101 194 F HN 0.185 nan 8.300 nan 0.000 0.585 195 N N 0.307 119.110 118.700 0.173 0.000 2.467 195 N HA 0.133 4.884 4.740 0.018 0.000 0.184 195 N C 0.057 175.619 175.510 0.087 0.000 1.106 195 N CA -0.067 53.096 53.050 0.190 0.000 0.892 195 N CB 0.120 38.697 38.487 0.149 0.000 0.969 195 N HN 0.253 nan 8.380 nan 0.000 0.454 196 L N 1.482 122.729 121.223 0.039 0.000 2.350 196 L HA 0.251 4.602 4.340 0.018 0.000 0.275 196 L C -1.088 175.807 176.870 0.042 0.000 1.099 196 L CA -1.685 53.160 54.840 0.008 0.000 0.808 196 L CB 0.838 42.870 42.059 -0.044 0.000 1.149 196 L HN -0.089 nan 8.230 nan 0.000 0.442 197 P HA -0.158 nan 4.420 nan 0.000 0.220 197 P C 0.284 177.611 177.300 0.045 0.000 1.148 197 P CA 1.159 64.283 63.100 0.040 0.000 0.803 197 P CB 0.065 31.779 31.700 0.024 0.000 0.782 198 D N -1.465 118.957 120.400 0.036 0.000 2.525 198 D HA -0.030 4.620 4.640 0.018 0.000 0.229 198 D C 1.216 177.553 176.300 0.062 0.000 1.202 198 D CA -0.507 53.518 54.000 0.041 0.000 0.828 198 D CB -1.380 39.432 40.800 0.020 0.000 1.008 198 D HN 0.116 nan 8.370 nan 0.000 0.493 199 N N 1.345 120.098 118.700 0.087 0.000 2.069 199 N HA -0.206 4.544 4.740 0.018 0.000 0.191 199 N C 0.598 176.232 175.510 0.206 0.000 1.031 199 N CA 1.332 54.460 53.050 0.130 0.000 0.852 199 N CB 0.146 38.726 38.487 0.156 0.000 1.018 199 N HN 0.006 nan 8.380 nan 0.000 0.423 200 D N 0.599 121.122 120.400 0.206 0.000 2.117 200 D HA -0.182 4.469 4.640 0.018 0.000 0.197 200 D C 1.948 178.395 176.300 0.245 0.000 0.987 200 D CA 1.260 55.438 54.000 0.297 0.000 0.829 200 D CB -0.256 40.670 40.800 0.210 0.000 0.961 200 D HN 0.701 nan 8.370 nan 0.000 0.460 201 E N -0.161 120.120 120.200 0.135 0.000 2.122 201 E HA -0.109 4.252 4.350 0.018 0.000 0.190 201 E C 0.606 177.237 176.600 0.052 0.000 0.977 201 E CA 0.575 57.022 56.400 0.079 0.000 0.820 201 E CB -0.082 29.652 29.700 0.056 0.000 0.770 201 E HN 0.007 nan 8.360 nan 0.000 0.462 202 N N 1.570 120.289 118.700 0.031 0.000 2.703 202 N HA 0.188 4.939 4.740 0.018 0.000 0.283 202 N C -2.784 172.665 175.510 -0.101 0.000 1.851 202 N CA -2.033 50.988 53.050 -0.049 0.000 0.826 202 N CB 1.131 39.600 38.487 -0.029 0.000 1.239 202 N HN -0.046 nan 8.380 nan 0.000 0.495 203 P HA 0.146 nan 4.420 nan 0.000 0.271 203 P C -0.755 176.553 177.300 0.012 0.000 1.216 203 P CA -0.022 63.109 63.100 0.051 0.000 0.776 203 P CB 1.324 33.210 31.700 0.311 0.000 0.881 204 L N 2.970 124.211 121.223 0.029 0.000 2.356 204 L HA 0.339 4.690 4.340 0.018 0.000 0.277 204 L C 0.201 176.944 176.870 -0.212 0.000 0.996 204 L CA -1.390 53.422 54.840 -0.046 0.000 0.822 204 L CB 2.133 44.178 42.059 -0.023 0.000 1.256 204 L HN 0.093 nan 8.230 nan 0.000 0.413 205 V N 3.596 123.111 119.914 -0.664 0.000 2.585 205 V HA 0.083 4.214 4.120 0.018 0.000 0.296 205 V C 0.777 176.440 176.094 -0.719 0.000 1.035 205 V CA -0.111 61.641 62.300 -0.914 0.000 1.084 205 V CB 0.625 31.349 31.823 -1.831 0.000 0.953 205 V HN 0.668 nan 8.190 nan 0.000 0.483 206 R N 4.109 124.243 120.500 -0.611 0.000 2.242 206 R HA 0.297 4.648 4.340 0.018 0.000 0.334 206 R C 1.013 177.113 176.300 -0.335 0.000 1.071 206 R CA -0.236 55.388 56.100 -0.793 0.000 0.922 206 R CB 0.464 29.988 30.300 -1.292 0.000 1.023 206 R HN 0.673 nan 8.270 nan 0.000 0.458 207 I N 2.499 122.935 120.570 -0.224 0.000 2.226 207 I HA -0.337 3.844 4.170 0.018 0.000 0.245 207 I C 1.870 178.081 176.117 0.158 0.000 1.100 207 I CA 1.350 62.726 61.300 0.128 0.000 1.374 207 I CB -0.219 37.871 38.000 0.151 0.000 1.057 207 I HN 0.668 nan 8.210 nan 0.000 0.413 208 D N 0.370 120.787 120.400 0.028 0.000 2.117 208 D HA -0.253 4.397 4.640 0.018 0.000 0.197 208 D C 1.870 178.385 176.300 0.358 0.000 0.987 208 D CA 1.271 55.361 54.000 0.150 0.000 0.829 208 D CB -0.847 40.013 40.800 0.099 0.000 0.961 208 D HN 0.330 nan 8.370 nan 0.000 0.460 209 W N 0.417 121.776 121.300 0.099 0.000 2.335 209 W HA -0.038 4.634 4.660 0.020 0.000 0.311 209 W C 2.234 178.924 176.519 0.285 0.000 1.213 209 W CA -0.233 57.175 57.345 0.105 0.000 1.274 209 W CB -1.591 27.878 29.460 0.015 0.000 1.148 209 W HN 0.148 nan 8.180 nan 0.000 0.498 210 W N 1.469 122.965 121.300 0.327 0.000 2.355 210 W HA -0.175 4.495 4.660 0.017 0.000 0.309 210 W C 2.395 179.082 176.519 0.279 0.000 1.206 210 W CA 2.121 59.627 57.345 0.268 0.000 1.284 210 W CB -0.834 28.684 29.460 0.096 0.000 1.145 210 W HN -0.122 nan 8.180 nan 0.000 0.502 211 K N -1.238 119.356 120.400 0.324 0.000 2.097 211 K HA -0.270 4.060 4.320 0.018 0.000 0.206 211 K C 2.237 178.977 176.600 0.233 0.000 1.049 211 K CA 1.687 58.132 56.287 0.265 0.000 0.933 211 K CB -0.841 31.768 32.500 0.182 0.000 0.717 211 K HN 0.158 nan 8.250 nan 0.000 0.442 212 Y N 0.092 120.496 120.300 0.173 0.000 2.114 212 Y HA -0.276 4.284 4.550 0.017 0.000 0.284 212 Y C 2.073 178.031 175.900 0.097 0.000 1.143 212 Y CA 2.010 60.175 58.100 0.109 0.000 1.135 212 Y CB -0.615 37.918 38.460 0.122 0.000 0.980 212 Y HN 0.300 nan 8.280 nan 0.000 0.499 213 W N 0.155 121.609 121.300 0.256 0.000 2.335 213 W HA -0.273 4.398 4.660 0.018 0.000 0.311 213 W C 1.743 178.306 176.519 0.073 0.000 1.213 213 W CA 2.003 59.425 57.345 0.128 0.000 1.274 213 W CB -1.314 28.242 29.460 0.160 0.000 1.148 213 W HN 0.106 nan 8.180 nan 0.000 0.498 214 F N 0.647 120.324 119.950 -0.455 0.000 2.163 214 F HA -0.104 4.433 4.527 0.018 0.000 0.297 214 F C 2.650 177.778 175.800 -1.121 0.000 1.094 214 F CA 2.199 59.647 58.000 -0.919 0.000 1.290 214 F CB -1.195 37.000 39.000 -1.342 0.000 1.017 214 F HN -0.246 nan 8.300 nan 0.000 0.483 215 T N -0.397 113.720 114.554 -0.727 0.000 2.812 215 T HA -0.103 4.258 4.350 0.018 0.000 0.264 215 T C 1.647 176.044 174.700 -0.505 0.000 1.042 215 T CA 1.331 62.864 62.100 -0.944 0.000 1.140 215 T CB -0.159 68.502 68.868 -0.345 0.000 0.870 215 T HN 0.091 nan 8.240 nan 0.000 0.445 216 N N 0.695 119.181 118.700 -0.357 0.000 2.392 216 N HA 0.051 4.802 4.740 0.018 0.000 0.177 216 N C 0.105 175.543 175.510 -0.121 0.000 1.066 216 N CA 0.161 53.037 53.050 -0.291 0.000 0.895 216 N CB 0.084 38.250 38.487 -0.535 0.000 0.988 216 N HN 0.484 nan 8.380 nan 0.000 0.457 217 E N 0.122 120.269 120.200 -0.089 0.000 2.269 217 E HA -0.184 4.176 4.350 0.018 0.000 0.223 217 E C -0.661 175.950 176.600 0.018 0.000 1.244 217 E CA 0.352 56.752 56.400 -0.000 0.000 0.713 217 E CB -1.225 28.497 29.700 0.035 0.000 1.178 217 E HN 0.127 nan 8.360 nan 0.000 0.370 218 S N -1.071 114.600 115.700 -0.048 0.000 2.688 218 S HA 0.717 5.197 4.470 0.018 0.000 0.275 218 S C -1.403 173.021 174.600 -0.292 0.000 1.175 218 S CA -0.875 57.237 58.200 -0.148 0.000 0.818 218 S CB 0.916 64.210 63.200 0.157 0.000 1.157 218 S HN 0.161 nan 8.310 nan 0.000 0.482 219 F N 2.488 122.480 119.950 0.070 0.000 2.404 219 F HA 0.448 4.985 4.527 0.017 0.000 0.339 219 F C -1.646 173.772 175.800 -0.637 0.000 1.105 219 F CA -2.122 55.601 58.000 -0.462 0.000 1.087 219 F CB 1.065 39.731 39.000 -0.557 0.000 1.143 219 F HN 0.280 nan 8.300 nan 0.000 0.491 220 P HA 0.007 nan 4.420 nan 0.000 0.246 220 P C 0.540 177.513 177.300 -0.544 0.000 1.686 220 P CA 0.245 62.667 63.100 -1.130 0.000 0.867 220 P CB -0.538 30.667 31.700 -0.825 0.000 1.733 221 Y N 0.546 120.709 120.300 -0.229 0.000 2.193 221 Y HA -0.245 4.314 4.550 0.016 0.000 0.285 221 Y C 2.493 178.423 175.900 0.050 0.000 1.166 221 Y CA 1.733 59.837 58.100 0.007 0.000 1.181 221 Y CB -1.127 37.369 38.460 0.059 0.000 0.976 221 Y HN 0.300 nan 8.280 nan 0.000 0.520 222 H N -0.972 118.175 119.070 0.129 0.000 2.521 222 H HA -0.003 4.564 4.556 0.019 0.000 0.286 222 H C 1.679 177.100 175.328 0.155 0.000 1.034 222 H CA 0.956 57.091 56.048 0.144 0.000 1.278 222 H CB -0.368 29.485 29.762 0.151 0.000 1.386 222 H HN 0.351 nan 8.280 nan 0.000 0.567 223 L N -0.762 120.602 121.223 0.234 0.000 2.653 223 L HA 0.235 4.585 4.340 0.018 0.000 0.231 223 L C 1.325 178.491 176.870 0.493 0.000 1.153 223 L CA 0.410 55.463 54.840 0.355 0.000 0.933 223 L CB 0.433 42.756 42.059 0.439 0.000 1.175 223 L HN 0.367 nan 8.230 nan 0.000 0.473 224 G N -0.738 108.269 108.800 0.345 0.000 2.175 224 G HA2 -0.320 3.651 3.960 0.018 0.000 0.244 224 G HA3 -0.320 3.651 3.960 0.018 0.000 0.244 224 G C -0.002 175.033 174.900 0.224 0.000 0.982 224 G CA -0.168 45.152 45.100 0.368 0.000 0.641 224 G HN 0.376 nan 8.290 nan 0.000 0.527 225 W N 2.773 123.784 121.300 -0.481 0.000 2.158 225 W HA 0.548 5.216 4.660 0.014 0.000 0.339 225 W C 0.728 176.919 176.519 -0.547 0.000 1.294 225 W CA 1.079 57.750 57.345 -1.122 0.000 1.231 225 W CB 0.365 28.826 29.460 -1.666 0.000 1.143 225 W HN 0.585 nan 8.180 nan 0.000 0.571 226 H N 1.896 120.101 119.070 -1.441 0.000 3.008 226 H HA 0.584 5.150 4.556 0.017 0.000 0.354 226 H C -2.817 171.007 175.328 -2.506 0.000 1.252 226 H CA -2.906 52.084 56.048 -1.764 0.000 1.117 226 H CB 0.699 29.773 29.762 -1.148 0.000 1.857 226 H HN 0.069 nan 8.280 nan 0.000 0.547 227 P HA 0.064 nan 4.420 nan 0.000 0.262 227 P C -2.471 174.382 177.300 -0.745 0.000 1.182 227 P CA -0.532 61.969 63.100 -0.998 0.000 0.761 227 P CB -0.139 31.264 31.700 -0.495 0.000 0.795 228 P HA -0.003 nan 4.420 nan 0.000 0.264 228 P C -0.284 176.821 177.300 -0.324 0.000 1.183 228 P CA 0.722 63.554 63.100 -0.446 0.000 0.763 228 P CB 0.434 31.982 31.700 -0.253 0.000 0.807 229 S N 2.596 118.123 115.700 -0.287 0.000 2.672 229 S HA 0.544 5.025 4.470 0.018 0.000 0.291 229 S C -2.434 172.096 174.600 -0.116 0.000 1.145 229 S CA -1.309 56.799 58.200 -0.153 0.000 1.013 229 S CB 0.180 63.354 63.200 -0.044 0.000 1.017 229 S HN 0.246 nan 8.310 nan 0.000 0.487 230 P HA 0.395 nan 4.420 nan 0.000 0.272 230 P C -0.334 176.904 177.300 -0.104 0.000 1.240 230 P CA -0.545 62.504 63.100 -0.084 0.000 0.791 230 P CB 0.239 31.905 31.700 -0.057 0.000 0.978 231 A N 2.297 125.061 122.820 -0.094 0.000 2.561 231 A HA 0.051 4.382 4.320 0.018 0.000 0.234 231 A C 0.749 178.284 177.584 -0.082 0.000 1.055 231 A CA -0.102 51.879 52.037 -0.093 0.000 0.756 231 A CB -0.204 18.755 19.000 -0.068 0.000 0.986 231 A HN 0.402 nan 8.150 nan 0.000 0.505 232 R N 1.845 122.283 120.500 -0.103 0.000 2.590 232 R HA 0.183 4.533 4.340 0.018 0.000 0.274 232 R C 0.013 176.309 176.300 -0.005 0.000 1.061 232 R CA 0.163 56.199 56.100 -0.107 0.000 1.081 232 R CB 0.284 30.484 30.300 -0.166 0.000 0.984 232 R HN 0.760 nan 8.270 nan 0.000 0.448 233 E N 1.343 121.578 120.200 0.058 0.000 2.264 233 E HA 0.106 4.467 4.350 0.018 0.000 0.260 233 E C 1.146 177.850 176.600 0.174 0.000 0.961 233 E CA -0.921 55.538 56.400 0.098 0.000 0.834 233 E CB 1.346 31.096 29.700 0.085 0.000 1.230 233 E HN 0.276 nan 8.360 nan 0.000 0.412 234 I N 1.530 122.190 120.570 0.150 0.000 2.335 234 I HA -0.250 3.931 4.170 0.018 0.000 0.251 234 I C 2.024 178.245 176.117 0.173 0.000 1.129 234 I CA 1.596 63.002 61.300 0.175 0.000 1.402 234 I CB -0.155 37.923 38.000 0.129 0.000 1.069 234 I HN 0.534 nan 8.210 nan 0.000 0.424 235 E N 0.065 120.352 120.200 0.147 0.000 2.085 235 E HA -0.316 4.044 4.350 0.018 0.000 0.194 235 E C 2.254 178.943 176.600 0.148 0.000 0.994 235 E CA 1.655 58.126 56.400 0.119 0.000 0.801 235 E CB -0.540 29.219 29.700 0.098 0.000 0.743 235 E HN 0.536 nan 8.360 nan 0.000 0.453 236 F N 0.995 120.992 119.950 0.079 0.000 2.102 236 F HA -0.206 4.331 4.527 0.018 0.000 0.298 236 F C 2.271 178.143 175.800 0.120 0.000 1.105 236 F CA 1.410 59.469 58.000 0.099 0.000 1.239 236 F CB -0.426 38.645 39.000 0.118 0.000 0.991 236 F HN -0.144 nan 8.300 nan 0.000 0.474 237 V N 0.401 120.578 119.914 0.439 0.000 2.295 237 V HA -0.331 3.800 4.120 0.018 0.000 0.246 237 V C 2.635 178.798 176.094 0.115 0.000 1.049 237 V CA 2.520 65.035 62.300 0.360 0.000 1.024 237 V CB -1.380 30.706 31.823 0.437 0.000 0.648 237 V HN 0.638 nan 8.190 nan 0.000 0.447 238 T N -3.161 111.435 114.554 0.069 0.000 2.985 238 T HA -0.148 4.212 4.350 0.018 0.000 0.266 238 T C 2.033 176.683 174.700 -0.083 0.000 1.076 238 T CA 1.522 63.618 62.100 -0.007 0.000 1.135 238 T CB -0.285 68.586 68.868 0.004 0.000 0.890 238 T HN 0.370 nan 8.240 nan 0.000 0.480 239 S N 1.457 117.089 115.700 -0.112 0.000 2.356 239 S HA 0.027 4.507 4.470 0.018 0.000 0.223 239 S C 2.485 176.875 174.600 -0.350 0.000 1.032 239 S CA 1.280 59.357 58.200 -0.204 0.000 1.005 239 S CB -0.977 62.105 63.200 -0.197 0.000 0.867 239 S HN 0.739 nan 8.310 nan 0.000 0.449 240 A N 0.670 123.259 122.820 -0.386 0.000 1.908 240 A HA -0.073 4.258 4.320 0.018 0.000 0.218 240 A C 2.435 179.781 177.584 -0.397 0.000 1.181 240 A CA 2.247 53.996 52.037 -0.481 0.000 0.627 240 A CB -1.519 17.343 19.000 -0.230 0.000 0.818 240 A HN 0.633 nan 8.150 nan 0.000 0.445 241 S N -0.437 115.161 115.700 -0.171 0.000 2.353 241 S HA -0.174 4.306 4.470 0.018 0.000 0.222 241 S C 2.270 176.773 174.600 -0.161 0.000 1.035 241 S CA 2.123 60.267 58.200 -0.095 0.000 1.025 241 S CB -0.533 62.637 63.200 -0.049 0.000 0.902 241 S HN 0.563 nan 8.310 nan 0.000 0.440 242 S N 1.420 117.002 115.700 -0.196 0.000 2.365 242 S HA -0.090 4.391 4.470 0.018 0.000 0.225 242 S C 2.254 176.690 174.600 -0.275 0.000 1.039 242 S CA 1.339 59.422 58.200 -0.194 0.000 1.033 242 S CB -0.898 62.195 63.200 -0.178 0.000 0.887 242 S HN 0.759 nan 8.310 nan 0.000 0.447 243 A N 0.957 123.484 122.820 -0.488 0.000 1.902 243 A HA -0.058 4.272 4.320 0.018 0.000 0.217 243 A C 2.346 179.615 177.584 -0.526 0.000 1.181 243 A CA 1.574 53.198 52.037 -0.689 0.000 0.623 243 A CB -0.940 17.176 19.000 -1.473 0.000 0.818 243 A HN 0.342 nan 8.150 nan 0.000 0.443 244 V N 0.183 119.827 119.914 -0.450 0.000 2.255 244 V HA -0.280 3.850 4.120 0.018 0.000 0.247 244 V C 2.521 178.593 176.094 -0.037 0.000 1.051 244 V CA 2.133 64.378 62.300 -0.092 0.000 1.018 244 V CB -0.748 31.119 31.823 0.072 0.000 0.641 244 V HN 0.590 nan 8.190 nan 0.000 0.445 245 L N -0.149 121.036 121.223 -0.063 0.000 2.291 245 L HA -0.042 4.309 4.340 0.018 0.000 0.214 245 L C 2.464 179.306 176.870 -0.045 0.000 1.120 245 L CA 1.096 55.916 54.840 -0.034 0.000 0.799 245 L CB -0.613 41.425 42.059 -0.036 0.000 0.925 245 L HN 0.367 nan 8.230 nan 0.000 0.446 246 A N 0.138 122.909 122.820 -0.081 0.000 2.123 246 A HA 0.292 4.622 4.320 0.018 0.000 0.214 246 A C 1.381 178.940 177.584 -0.040 0.000 1.152 246 A CA 0.494 52.490 52.037 -0.069 0.000 0.728 246 A CB -0.286 18.654 19.000 -0.100 0.000 0.814 246 A HN 0.267 nan 8.150 nan 0.000 0.464 247 A N 0.223 123.028 122.820 -0.025 0.000 2.462 247 A HA 0.455 4.785 4.320 0.018 0.000 0.243 247 A C 0.710 178.308 177.584 0.023 0.000 1.076 247 A CA 0.309 52.356 52.037 0.016 0.000 0.773 247 A CB -0.068 18.972 19.000 0.065 0.000 1.010 247 A HN 0.476 nan 8.150 nan 0.000 0.493 248 S N 1.434 117.149 115.700 0.026 0.000 2.516 248 S HA 0.304 4.784 4.470 0.018 0.000 0.282 248 S C -0.016 174.600 174.600 0.028 0.000 1.286 248 S CA -0.517 57.696 58.200 0.021 0.000 1.066 248 S CB -0.208 63.003 63.200 0.018 0.000 0.884 248 S HN 0.668 nan 8.310 nan 0.000 0.491 249 V N 6.130 126.056 119.914 0.021 0.000 2.408 249 V HA 0.236 4.367 4.120 0.018 0.000 0.267 249 V C 1.437 177.541 176.094 0.017 0.000 1.047 249 V CA 0.210 62.523 62.300 0.022 0.000 0.937 249 V CB 0.670 32.502 31.823 0.015 0.000 0.999 249 V HN 1.091 nan 8.190 nan 0.000 0.472 250 T N -0.336 114.230 114.554 0.020 0.000 3.001 250 T HA 0.169 4.530 4.350 0.018 0.000 0.251 250 T C 0.654 175.361 174.700 0.012 0.000 1.040 250 T CA 0.282 62.391 62.100 0.016 0.000 0.985 250 T CB 0.425 69.304 68.868 0.019 0.000 1.011 250 T HN 0.542 nan 8.240 nan 0.000 0.509 251 S N 1.127 116.834 115.700 0.012 0.000 2.733 251 S HA 0.522 5.003 4.470 0.018 0.000 0.294 251 S C -1.080 173.523 174.600 0.005 0.000 1.149 251 S CA -0.471 57.733 58.200 0.008 0.000 1.034 251 S CB 1.301 64.506 63.200 0.008 0.000 1.015 251 S HN 0.288 nan 8.310 nan 0.000 0.486 252 T N 6.881 121.435 114.554 0.000 0.000 2.756 252 T HA 0.528 4.888 4.350 0.018 0.000 0.290 252 T C -2.454 172.240 174.700 -0.010 0.000 0.985 252 T CA -0.872 61.225 62.100 -0.004 0.000 0.955 252 T CB 1.041 69.905 68.868 -0.007 0.000 0.930 252 T HN 0.478 nan 8.240 nan 0.000 0.451 253 P HA 0.356 nan 4.420 nan 0.000 0.272 253 P C -0.228 177.054 177.300 -0.030 0.000 1.230 253 P CA -0.506 62.581 63.100 -0.021 0.000 0.788 253 P CB 0.536 32.223 31.700 -0.023 0.000 0.949 254 S N 0.014 115.693 115.700 -0.034 0.000 2.645 254 S HA 0.262 4.743 4.470 0.018 0.000 0.266 254 S C 0.415 174.978 174.600 -0.061 0.000 1.258 254 S CA -0.125 58.051 58.200 -0.041 0.000 0.990 254 S CB 0.166 63.345 63.200 -0.036 0.000 0.967 254 S HN 0.539 nan 8.310 nan 0.000 0.556 255 S N -0.660 114.999 115.700 -0.068 0.000 3.490 255 S HA -0.135 4.346 4.470 0.018 0.000 0.301 255 S C 0.021 174.539 174.600 -0.136 0.000 1.233 255 S CA 0.210 58.350 58.200 -0.100 0.000 0.914 255 S CB -1.879 61.253 63.200 -0.114 0.000 1.047 255 S HN 0.562 nan 8.310 nan 0.000 0.602 256 L N 2.595 123.759 121.223 -0.098 0.000 2.426 256 L HA 0.297 4.647 4.340 0.018 0.000 0.271 256 L C -1.066 175.759 176.870 -0.075 0.000 1.169 256 L CA -1.526 53.256 54.840 -0.096 0.000 0.836 256 L CB 0.071 42.096 42.059 -0.056 0.000 1.112 256 L HN 0.065 nan 8.230 nan 0.000 0.465 257 P HA 0.008 nan 4.420 nan 0.000 0.272 257 P C -0.482 176.831 177.300 0.021 0.000 1.240 257 P CA -0.482 62.638 63.100 0.034 0.000 0.791 257 P CB 0.784 32.608 31.700 0.206 0.000 0.978 258 S N -0.074 115.641 115.700 0.024 0.000 2.546 258 S HA 0.305 4.786 4.470 0.018 0.000 0.290 258 S C 1.438 176.041 174.600 0.004 0.000 1.290 258 S CA 0.971 59.175 58.200 0.008 0.000 1.069 258 S CB -1.464 61.740 63.200 0.007 0.000 0.846 258 S HN 0.909 nan 8.310 nan 0.000 0.495 259 G N 3.401 112.198 108.800 -0.005 0.000 2.162 259 G HA2 -0.281 3.689 3.960 0.018 0.000 0.260 259 G HA3 -0.281 3.689 3.960 0.018 0.000 0.260 259 G C 1.027 175.920 174.900 -0.011 0.000 0.976 259 G CA 0.565 45.660 45.100 -0.010 0.000 0.655 259 G HN 1.381 nan 8.290 nan 0.000 0.533 260 A N -0.317 122.498 122.820 -0.009 0.000 1.903 260 A HA 0.164 4.495 4.320 0.018 0.000 0.219 260 A C 1.422 178.996 177.584 -0.016 0.000 1.191 260 A CA 1.486 53.514 52.037 -0.016 0.000 0.638 260 A CB -0.194 18.793 19.000 -0.022 0.000 0.823 260 A HN 0.935 nan 8.150 nan 0.000 0.451 261 I N -0.126 120.437 120.570 -0.013 0.000 2.396 261 I HA 0.495 4.675 4.170 0.018 0.000 0.289 261 I C 0.750 176.860 176.117 -0.012 0.000 1.056 261 I CA 0.587 61.882 61.300 -0.009 0.000 1.365 261 I CB 0.404 38.400 38.000 -0.007 0.000 1.407 261 I HN 0.514 nan 8.210 nan 0.000 0.509 262 G N 7.395 116.187 108.800 -0.013 0.000 2.347 262 G HA2 0.020 3.990 3.960 0.018 0.000 0.477 262 G HA3 0.020 3.990 3.960 0.018 0.000 0.477 262 G C -3.216 171.670 174.900 -0.024 0.000 1.349 262 G CA -1.103 43.986 45.100 -0.019 0.000 1.000 262 G HN 0.367 nan 8.290 nan 0.000 0.605 263 P HA 0.452 nan 4.420 nan 0.000 0.271 263 P C 0.487 177.766 177.300 -0.035 0.000 1.233 263 P CA 0.639 63.717 63.100 -0.037 0.000 0.789 263 P CB 0.898 32.574 31.700 -0.040 0.000 0.951 264 G N -0.510 108.266 108.800 -0.040 0.000 2.473 264 G HA2 0.579 4.550 3.960 0.018 0.000 0.321 264 G HA3 0.579 4.550 3.960 0.018 0.000 0.321 264 G C -0.742 174.132 174.900 -0.045 0.000 1.200 264 G CA -0.620 44.456 45.100 -0.039 0.000 0.963 264 G HN 0.612 nan 8.290 nan 0.000 0.483 265 A N 0.388 123.180 122.820 -0.047 0.000 2.466 265 A HA 0.431 4.762 4.320 0.018 0.000 0.238 265 A C 0.634 178.187 177.584 -0.052 0.000 1.074 265 A CA -0.130 51.877 52.037 -0.050 0.000 0.774 265 A CB 0.198 19.165 19.000 -0.055 0.000 1.015 265 A HN 0.759 nan 8.150 nan 0.000 0.498 266 E N 0.866 121.036 120.200 -0.050 0.000 2.414 266 E HA 0.336 4.696 4.350 0.018 0.000 0.263 266 E C 0.391 176.957 176.600 -0.058 0.000 1.000 266 E CA 0.024 56.395 56.400 -0.049 0.000 0.914 266 E CB 0.441 30.116 29.700 -0.042 0.000 0.948 266 E HN 0.785 nan 8.360 nan 0.000 0.444 267 A N 3.757 126.541 122.820 -0.060 0.000 2.477 267 A HA 0.369 4.700 4.320 0.018 0.000 0.246 267 A C -0.118 177.422 177.584 -0.073 0.000 1.078 267 A CA -0.127 51.866 52.037 -0.074 0.000 0.770 267 A CB 0.243 19.199 19.000 -0.074 0.000 1.011 267 A HN 0.543 nan 8.150 nan 0.000 0.494 268 V N -0.445 119.413 119.914 -0.093 0.000 3.160 268 V HA 0.754 4.884 4.120 0.018 0.000 0.310 268 V C -3.015 173.010 176.094 -0.114 0.000 1.181 268 V CA -2.687 59.559 62.300 -0.089 0.000 1.047 268 V CB 1.215 32.987 31.823 -0.085 0.000 1.068 268 V HN 0.657 nan 8.190 nan 0.000 0.441 269 P HA 0.280 nan 4.420 nan 0.000 0.265 269 P C -0.395 176.813 177.300 -0.153 0.000 1.193 269 P CA 0.163 63.199 63.100 -0.105 0.000 0.765 269 P CB 0.207 31.868 31.700 -0.066 0.000 0.823 270 L N 1.703 122.820 121.223 -0.177 0.000 2.453 270 L HA 0.442 4.793 4.340 0.018 0.000 0.261 270 L C 0.861 177.510 176.870 -0.369 0.000 1.179 270 L CA 0.320 54.978 54.840 -0.303 0.000 0.813 270 L CB 0.500 42.426 42.059 -0.222 0.000 1.110 270 L HN 0.370 nan 8.230 nan 0.000 0.466 271 S N 0.703 115.988 115.700 -0.691 0.000 2.533 271 S HA 0.721 5.201 4.470 0.018 0.000 0.271 271 S C -1.363 172.649 174.600 -0.980 0.000 1.143 271 S CA -0.533 57.322 58.200 -0.575 0.000 0.891 271 S CB 0.828 63.852 63.200 -0.293 0.000 1.105 271 S HN 0.306 nan 8.310 nan 0.000 0.468 272 F N 2.202 122.034 119.950 -0.196 0.000 2.547 272 F HA 0.692 5.228 4.527 0.015 0.000 0.316 272 F C 0.581 176.285 175.800 -0.161 0.000 1.121 272 F CA -0.833 56.982 58.000 -0.308 0.000 0.911 272 F CB 1.687 40.231 39.000 -0.759 0.000 1.179 272 F HN 0.712 nan 8.300 nan 0.000 0.443 273 A N 1.572 124.405 122.820 0.021 0.000 2.511 273 A HA 0.246 4.577 4.320 0.018 0.000 0.242 273 A C 1.213 178.843 177.584 0.077 0.000 1.069 273 A CA 0.064 52.120 52.037 0.032 0.000 0.763 273 A CB 0.138 19.148 19.000 0.017 0.000 1.001 273 A HN 0.881 nan 8.150 nan 0.000 0.498 274 S N 0.649 116.390 115.700 0.069 0.000 2.442 274 S HA -0.144 4.337 4.470 0.018 0.000 0.236 274 S C 2.166 176.809 174.600 0.072 0.000 1.007 274 S CA 1.834 60.083 58.200 0.081 0.000 0.965 274 S CB -0.384 62.852 63.200 0.060 0.000 0.773 274 S HN 1.068 nan 8.310 nan 0.000 0.504 275 T N -0.775 113.812 114.554 0.055 0.000 2.951 275 T HA 0.109 4.469 4.350 0.018 0.000 0.268 275 T C 0.698 175.428 174.700 0.050 0.000 1.073 275 T CA 0.323 62.449 62.100 0.042 0.000 1.134 275 T CB -0.317 68.568 68.868 0.029 0.000 0.884 275 T HN 0.290 nan 8.240 nan 0.000 0.479 276 M N 4.229 123.876 119.600 0.080 0.000 2.184 276 M HA 0.238 4.729 4.480 0.018 0.000 0.351 276 M C -0.220 176.165 176.300 0.142 0.000 1.395 276 M CA -0.352 55.007 55.300 0.098 0.000 1.117 276 M CB 0.643 33.316 32.600 0.121 0.000 1.708 276 M HN 0.358 nan 8.290 nan 0.000 0.468 277 T N 4.325 118.894 114.554 0.026 0.000 2.897 277 T HA 0.568 4.928 4.350 0.018 0.000 0.294 277 T C -2.444 172.167 174.700 -0.149 0.000 1.004 277 T CA -1.484 60.585 62.100 -0.052 0.000 1.106 277 T CB 0.481 69.292 68.868 -0.094 0.000 0.949 277 T HN 0.502 nan 8.240 nan 0.000 0.520 278 P HA 0.243 nan 4.420 nan 0.000 0.271 278 P C -0.489 176.604 177.300 -0.346 0.000 1.218 278 P CA -0.635 62.151 63.100 -0.523 0.000 0.780 278 P CB 0.324 31.535 31.700 -0.815 0.000 0.901 279 F N 0.627 120.453 119.950 -0.207 0.000 2.553 279 F HA 0.055 4.592 4.527 0.017 0.000 0.356 279 F C 1.445 177.072 175.800 -0.288 0.000 1.142 279 F CA 0.053 57.919 58.000 -0.224 0.000 1.322 279 F CB -0.207 38.589 39.000 -0.340 0.000 1.126 279 F HN 0.099 nan 8.300 nan 0.000 0.599 280 L N 3.901 125.069 121.223 -0.092 0.000 2.490 280 L HA 0.012 4.363 4.340 0.018 0.000 0.274 280 L C -0.083 176.652 176.870 -0.225 0.000 1.201 280 L CA -0.043 54.693 54.840 -0.174 0.000 0.869 280 L CB 0.085 42.044 42.059 -0.168 0.000 1.123 280 L HN 0.411 nan 8.230 nan 0.000 0.484 281 L N 3.526 124.697 121.223 -0.087 0.000 2.380 281 L HA 0.303 4.653 4.340 0.018 0.000 0.273 281 L C 0.781 177.743 176.870 0.154 0.000 1.138 281 L CA -0.379 54.458 54.840 -0.004 0.000 0.832 281 L CB 0.864 42.915 42.059 -0.013 0.000 1.124 281 L HN 0.716 nan 8.230 nan 0.000 0.454 282 A N 1.656 124.635 122.820 0.264 0.000 2.540 282 A HA 0.208 4.538 4.320 0.018 0.000 0.239 282 A C 1.040 178.723 177.584 0.165 0.000 1.061 282 A CA 0.316 52.548 52.037 0.325 0.000 0.758 282 A CB 0.009 19.153 19.000 0.240 0.000 0.991 282 A HN 0.880 nan 8.150 nan 0.000 0.502 283 T N 0.214 114.847 114.554 0.131 0.000 3.105 283 T HA 0.101 4.462 4.350 0.018 0.000 0.253 283 T C 0.444 175.171 174.700 0.044 0.000 1.047 283 T CA -0.292 61.852 62.100 0.073 0.000 0.944 283 T CB -0.559 68.345 68.868 0.060 0.000 1.016 283 T HN 0.645 nan 8.240 nan 0.000 0.544 284 N N 2.327 121.053 118.700 0.042 0.000 2.407 284 N HA 0.296 5.047 4.740 0.018 0.000 0.250 284 N C 0.426 175.961 175.510 0.043 0.000 1.236 284 N CA 0.101 53.170 53.050 0.032 0.000 0.879 284 N CB 0.586 39.090 38.487 0.028 0.000 1.088 284 N HN 0.513 nan 8.380 nan 0.000 0.450 285 A N 3.270 126.117 122.820 0.044 0.000 2.507 285 A HA 0.140 4.471 4.320 0.018 0.000 0.235 285 A C -1.832 175.804 177.584 0.087 0.000 1.070 285 A CA -0.828 51.243 52.037 0.057 0.000 0.768 285 A CB -0.345 18.692 19.000 0.062 0.000 1.011 285 A HN 0.463 nan 8.150 nan 0.000 0.502 286 P HA 0.013 nan 4.420 nan 0.000 0.268 286 P C -0.653 176.772 177.300 0.207 0.000 1.204 286 P CA 0.350 63.527 63.100 0.128 0.000 0.768 286 P CB 0.159 31.908 31.700 0.082 0.000 0.842 287 Y N 5.450 125.806 120.300 0.093 0.000 2.497 287 Y HA 0.205 4.765 4.550 0.017 0.000 0.334 287 Y C -0.413 175.596 175.900 0.181 0.000 1.199 287 Y CA 0.210 58.361 58.100 0.086 0.000 1.425 287 Y CB 0.198 38.699 38.460 0.069 0.000 1.291 287 Y HN 0.441 nan 8.280 nan 0.000 0.562 288 Y N 2.835 122.634 120.300 -0.836 0.000 2.562 288 Y HA 0.795 5.355 4.550 0.018 0.000 0.345 288 Y C -0.939 174.361 175.900 -1.000 0.000 1.045 288 Y CA -1.912 55.698 58.100 -0.818 0.000 1.028 288 Y CB 0.412 38.704 38.460 -0.281 0.000 1.297 288 Y HN 0.847 nan 8.280 nan 0.000 0.463 289 A N 2.306 124.760 122.820 -0.611 0.000 2.520 289 A HA 0.321 4.651 4.320 0.018 0.000 0.245 289 A C 0.123 177.546 177.584 -0.268 0.000 1.072 289 A CA -0.113 51.686 52.037 -0.396 0.000 0.761 289 A CB 0.064 18.924 19.000 -0.233 0.000 1.004 289 A HN 0.935 nan 8.150 nan 0.000 0.499 290 Q N 0.301 119.951 119.800 -0.250 0.000 2.140 290 Q HA 0.108 4.458 4.340 0.018 0.000 0.227 290 Q C -0.780 175.169 176.000 -0.085 0.000 0.798 290 Q CA 0.011 55.710 55.803 -0.173 0.000 0.987 290 Q CB 0.908 29.482 28.738 -0.273 0.000 1.161 290 Q HN 0.792 nan 8.270 nan 0.000 0.480 291 D N 1.974 122.334 120.400 -0.067 0.000 2.613 291 D HA 0.176 4.827 4.640 0.018 0.000 0.312 291 D C -2.186 174.093 176.300 -0.035 0.000 1.202 291 D CA -1.363 52.617 54.000 -0.034 0.000 0.825 291 D CB 0.850 41.643 40.800 -0.012 0.000 1.113 291 D HN 0.057 nan 8.370 nan 0.000 0.502 292 P HA 0.361 nan 4.420 nan 0.000 0.280 292 P C -0.066 177.197 177.300 -0.063 0.000 1.272 292 P CA -0.471 62.604 63.100 -0.042 0.000 0.819 292 P CB 0.723 32.406 31.700 -0.028 0.000 1.122 293 T N -1.230 113.306 114.554 -0.031 0.000 2.900 293 T HA 0.344 4.704 4.350 0.018 0.000 0.307 293 T C 0.489 175.157 174.700 -0.052 0.000 1.065 293 T CA -0.631 61.465 62.100 -0.006 0.000 1.105 293 T CB 0.073 68.980 68.868 0.065 0.000 0.979 293 T HN 0.253 nan 8.240 nan 0.000 0.544 294 L N 1.818 122.974 121.223 -0.110 0.000 2.325 294 L HA 0.606 4.957 4.340 0.018 0.000 0.279 294 L C 1.253 178.077 176.870 -0.076 0.000 1.054 294 L CA -1.148 53.547 54.840 -0.240 0.000 0.804 294 L CB 1.123 42.709 42.059 -0.788 0.000 1.200 294 L HN 0.987 nan 8.230 nan 0.000 0.436 295 G N 1.231 110.021 108.800 -0.017 0.000 2.580 295 G HA2 0.330 4.301 3.960 0.018 0.000 0.278 295 G HA3 0.330 4.301 3.960 0.018 0.000 0.278 295 G C -1.703 173.272 174.900 0.125 0.000 1.212 295 G CA -0.945 44.196 45.100 0.068 0.000 0.939 295 G HN 0.481 nan 8.290 nan 0.000 0.513 296 P HA -0.096 nan 4.420 nan 0.000 0.220 296 P C 0.750 178.168 177.300 0.196 0.000 1.148 296 P CA 1.125 64.321 63.100 0.159 0.000 0.803 296 P CB 0.174 31.933 31.700 0.097 0.000 0.782 297 N N -0.877 117.941 118.700 0.197 0.000 2.270 297 N HA 0.038 4.789 4.740 0.018 0.000 0.198 297 N C 0.098 175.791 175.510 0.306 0.000 1.117 297 N CA -0.245 52.956 53.050 0.251 0.000 0.845 297 N CB 0.139 38.767 38.487 0.235 0.000 0.980 297 N HN 0.124 nan 8.380 nan 0.000 0.486 298 D N 0.000 120.544 120.400 0.241 0.000 6.856 298 D HA 0.000 4.651 4.640 0.018 0.000 0.175 298 D CA 0.000 54.117 54.000 0.196 0.000 0.868 298 D CB 0.000 40.875 40.800 0.124 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683