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 3fz6_1_B DATA FIRST_RESID 4 DATA SEQUENCE KQVTDLRSEL LDSRFGAKSI STIAESKRFP LHEMRDDVAF QIINDELYLD DATA SEQUENCE GNARQNLATF CQTWDDENVH KLMDLSINKN WIDKEEYPQS AAIDLRCVNM DATA SEQUENCE VADLWHAPAP KNGQAVGTNT IGSSEACMLG GMAMKWRWRK RMEAAGKPTD DATA SEQUENCE KPNLVCGPVQ ICWHKFARYW DVELREIPMR PGQLFMDPKR MIEACDENTI DATA SEQUENCE GVVPTFGVTY TGNYEFPQPL HDALDKFQAD TGIDIDMHID AASGGFLAPF DATA SEQUENCE VAPDIVWDFR LPRVKSISAS GHKFGLAPLG CGWVIWRDEE ALPQELVFNV DATA SEQUENCE DYLGGQIGTF AINFSRPAGQ VIAQYYEFLR LGREGYTKVQ NASYQVAAYL DATA SEQUENCE ADEIAKLGPY EFICTGRPDE GIPAVCFKLK DGEDPGYTLY DLSERLRLRG DATA SEQUENCE WQVPAFTLGG EATDIVVMRI MCRRGFEMDF AELLLEDYKA SLKYLSDHPK DATA SEQUENCE LQGIAQQNSF KHT 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.599 176.600 -0.002 0.000 0.988 4 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 4 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 5 Q N 1.267 121.066 119.800 -0.002 0.000 2.368 5 Q HA 0.249 4.579 4.340 -0.016 0.000 0.237 5 Q C 0.825 176.823 176.000 -0.003 0.000 0.987 5 Q CA -0.059 55.742 55.803 -0.003 0.000 0.896 5 Q CB 1.555 30.291 28.738 -0.002 0.000 1.241 5 Q HN 0.514 nan 8.270 nan 0.000 0.485 6 V N -3.218 116.694 119.914 -0.003 0.000 3.382 6 V HA 0.207 4.317 4.120 -0.016 0.000 0.296 6 V C 0.266 176.357 176.094 -0.004 0.000 1.529 6 V CA 0.211 62.509 62.300 -0.003 0.000 1.048 6 V CB 0.382 32.203 31.823 -0.003 0.000 0.878 6 V HN 0.801 nan 8.190 nan 0.000 0.442 7 T N -1.824 112.728 114.554 -0.004 0.000 2.910 7 T HA 0.678 5.019 4.350 -0.016 0.000 0.279 7 T C -0.790 173.908 174.700 -0.004 0.000 0.989 7 T CA -0.013 62.085 62.100 -0.004 0.000 0.968 7 T CB 2.180 71.045 68.868 -0.004 0.000 1.135 7 T HN 0.250 nan 8.240 nan 0.000 0.562 8 D N 0.367 120.765 120.400 -0.004 0.000 2.328 8 D HA 0.391 5.021 4.640 -0.016 0.000 0.243 8 D C -1.304 174.994 176.300 -0.003 0.000 1.324 8 D CA -0.396 53.602 54.000 -0.003 0.000 0.966 8 D CB 0.030 40.828 40.800 -0.003 0.000 1.324 8 D HN 0.549 nan 8.370 nan 0.000 0.549 9 L N 1.623 122.844 121.223 -0.003 0.000 2.333 9 L HA 0.640 4.970 4.340 -0.016 0.000 0.269 9 L C 0.604 177.472 176.870 -0.002 0.000 1.010 9 L CA -1.019 53.819 54.840 -0.003 0.000 0.818 9 L CB 1.897 43.954 42.059 -0.003 0.000 1.306 9 L HN -0.004 nan 8.230 nan 0.000 0.430 10 R N -0.256 120.243 120.500 -0.001 0.000 2.457 10 R HA 0.410 4.740 4.340 -0.016 0.000 0.284 10 R C -0.022 176.278 176.300 0.000 0.000 1.024 10 R CA -0.109 55.991 56.100 0.000 0.000 1.025 10 R CB 1.349 31.650 30.300 0.002 0.000 1.063 10 R HN 0.553 nan 8.270 nan 0.000 0.493 11 S N 2.377 118.078 115.700 0.001 0.000 2.519 11 S HA 0.093 4.553 4.470 -0.016 0.000 0.245 11 S C -1.075 173.526 174.600 0.002 0.000 1.152 11 S CA -0.354 57.847 58.200 0.001 0.000 1.175 11 S CB -0.464 62.737 63.200 0.001 0.000 0.829 11 S HN 0.576 nan 8.310 nan 0.000 0.472 12 E N -0.131 120.072 120.200 0.003 0.000 2.390 12 E HA 0.319 4.659 4.350 -0.016 0.000 0.280 12 E C -1.104 175.500 176.600 0.007 0.000 0.992 12 E CA -1.013 55.391 56.400 0.006 0.000 0.790 12 E CB 0.587 30.291 29.700 0.007 0.000 1.248 12 E HN -0.035 nan 8.360 nan 0.000 0.447 13 L N 2.850 124.078 121.223 0.008 0.000 2.559 13 L HA 0.154 4.485 4.340 -0.016 0.000 0.274 13 L C -0.439 176.441 176.870 0.016 0.000 1.205 13 L CA 0.591 55.437 54.840 0.010 0.000 0.907 13 L CB -0.110 41.955 42.059 0.010 0.000 1.153 13 L HN 0.550 nan 8.230 nan 0.000 0.490 14 L N 3.699 124.930 121.223 0.013 0.000 2.303 14 L HA 0.510 4.840 4.340 -0.016 0.000 0.266 14 L C -0.133 176.748 176.870 0.018 0.000 1.011 14 L CA -0.746 54.106 54.840 0.021 0.000 0.818 14 L CB 2.081 44.148 42.059 0.012 0.000 1.326 14 L HN 0.490 nan 8.230 nan 0.000 0.435 15 D N -0.395 120.025 120.400 0.034 0.000 2.308 15 D HA 0.133 4.764 4.640 -0.016 0.000 0.242 15 D C 0.678 176.933 176.300 -0.075 0.000 1.059 15 D CA -0.115 53.884 54.000 -0.002 0.000 0.830 15 D CB 2.098 42.962 40.800 0.107 0.000 1.161 15 D HN 0.602 nan 8.370 nan 0.000 0.494 16 S N 3.810 119.433 115.700 -0.128 0.000 2.447 16 S HA -0.112 4.349 4.470 -0.016 0.000 0.233 16 S C 1.557 176.018 174.600 -0.232 0.000 1.006 16 S CA 0.565 58.680 58.200 -0.141 0.000 0.957 16 S CB 0.091 63.220 63.200 -0.118 0.000 0.773 16 S HN 0.486 nan 8.310 nan 0.000 0.507 17 R N -0.083 120.148 120.500 -0.447 0.000 2.062 17 R HA 0.125 4.456 4.340 -0.016 0.000 0.229 17 R C 1.057 177.016 176.300 -0.568 0.000 1.128 17 R CA 1.633 57.314 56.100 -0.698 0.000 0.960 17 R CB -0.324 29.182 30.300 -1.323 0.000 0.855 17 R HN 0.550 nan 8.270 nan 0.000 0.432 18 F N -0.792 119.153 119.950 -0.009 0.000 2.678 18 F HA 0.375 4.889 4.527 -0.021 0.000 0.305 18 F C 1.318 177.115 175.800 -0.005 0.000 1.090 18 F CA -0.149 57.849 58.000 -0.004 0.000 1.272 18 F CB 0.073 39.073 39.000 -0.001 0.000 1.060 18 F HN 0.108 nan 8.300 nan 0.000 0.576 19 G N 1.155 110.010 108.800 0.091 0.000 2.361 19 G HA2 -0.059 3.891 3.960 -0.016 0.000 0.294 19 G HA3 -0.059 3.891 3.960 -0.016 0.000 0.294 19 G C 0.239 175.186 174.900 0.078 0.000 1.004 19 G CA 0.435 45.570 45.100 0.059 0.000 0.870 19 G HN 0.770 nan 8.290 nan 0.000 0.510 20 A N -1.112 121.777 122.820 0.116 0.000 2.483 20 A HA 0.843 5.154 4.320 -0.016 0.000 0.286 20 A C 0.408 178.039 177.584 0.079 0.000 1.207 20 A CA 0.011 52.101 52.037 0.088 0.000 0.764 20 A CB 0.878 19.931 19.000 0.088 0.000 1.341 20 A HN 0.630 nan 8.150 nan 0.000 0.428 21 K N 0.700 121.130 120.400 0.050 0.000 2.524 21 K HA 0.096 4.406 4.320 -0.016 0.000 0.279 21 K C 0.246 176.883 176.600 0.062 0.000 0.993 21 K CA 0.383 56.695 56.287 0.041 0.000 1.030 21 K CB 0.232 32.745 32.500 0.022 0.000 0.891 21 K HN 0.617 nan 8.250 nan 0.000 0.488 22 S N 3.647 119.381 115.700 0.056 0.000 2.533 22 S HA 0.157 4.617 4.470 -0.016 0.000 0.282 22 S C -0.172 174.461 174.600 0.055 0.000 1.304 22 S CA -0.516 57.724 58.200 0.067 0.000 1.063 22 S CB -0.014 63.212 63.200 0.043 0.000 0.881 22 S HN 0.435 nan 8.310 nan 0.000 0.493 23 I N 4.184 124.794 120.570 0.068 0.000 2.362 23 I HA 0.283 4.443 4.170 -0.016 0.000 0.289 23 I C 0.189 176.331 176.117 0.041 0.000 0.994 23 I CA -0.140 61.184 61.300 0.041 0.000 1.158 23 I CB 1.864 39.876 38.000 0.020 0.000 1.315 23 I HN 0.507 nan 8.210 nan 0.000 0.451 24 S N 3.037 118.751 115.700 0.023 0.000 2.499 24 S HA 0.257 4.717 4.470 -0.016 0.000 0.279 24 S C 1.268 175.868 174.600 0.000 0.000 1.219 24 S CA -0.157 58.051 58.200 0.014 0.000 1.062 24 S CB 0.880 64.085 63.200 0.008 0.000 0.978 24 S HN 0.797 nan 8.310 nan 0.000 0.489 25 T N 3.234 117.786 114.554 -0.004 0.000 2.985 25 T HA 0.074 4.415 4.350 -0.016 0.000 0.266 25 T C 1.733 176.419 174.700 -0.023 0.000 1.076 25 T CA 0.616 62.704 62.100 -0.020 0.000 1.135 25 T CB -0.384 68.470 68.868 -0.023 0.000 0.890 25 T HN 0.622 nan 8.240 nan 0.000 0.480 26 I N 1.698 122.258 120.570 -0.016 0.000 2.193 26 I HA 0.172 4.332 4.170 -0.016 0.000 0.240 26 I C 1.776 177.884 176.117 -0.015 0.000 1.084 26 I CA 0.513 61.803 61.300 -0.016 0.000 1.365 26 I CB -0.364 37.628 38.000 -0.014 0.000 1.064 26 I HN 0.285 nan 8.210 nan 0.000 0.410 27 A N 0.862 123.676 122.820 -0.010 0.000 2.328 27 A HA 0.333 4.643 4.320 -0.016 0.000 0.284 27 A C 0.533 178.110 177.584 -0.012 0.000 1.160 27 A CA -0.072 51.959 52.037 -0.009 0.000 0.818 27 A CB 0.437 19.435 19.000 -0.003 0.000 1.087 27 A HN 0.419 nan 8.150 nan 0.000 0.504 28 E N 0.467 120.657 120.200 -0.016 0.000 4.146 28 E HA -0.163 4.177 4.350 -0.016 0.000 0.348 28 E C 0.685 177.258 176.600 -0.045 0.000 0.708 28 E CA 1.182 57.565 56.400 -0.029 0.000 1.394 28 E CB -1.774 27.909 29.700 -0.028 0.000 1.727 28 E HN 1.080 nan 8.360 nan 0.000 0.393 29 S N -1.072 114.607 115.700 -0.035 0.000 2.539 29 S HA 0.252 4.712 4.470 -0.016 0.000 0.221 29 S C 1.350 175.933 174.600 -0.028 0.000 0.987 29 S CA 0.127 58.303 58.200 -0.039 0.000 0.929 29 S CB 0.652 63.833 63.200 -0.032 0.000 0.832 29 S HN 0.013 nan 8.310 nan 0.000 0.492 30 K N 1.232 121.621 120.400 -0.019 0.000 2.329 30 K HA 0.374 4.684 4.320 -0.016 0.000 0.198 30 K C 0.262 176.867 176.600 0.009 0.000 1.085 30 K CA 0.612 56.896 56.287 -0.005 0.000 0.961 30 K CB 0.399 32.897 32.500 -0.004 0.000 0.971 30 K HN 0.506 nan 8.250 nan 0.000 0.502 31 R N -1.366 119.140 120.500 0.011 0.000 2.873 31 R HA 0.401 4.732 4.340 -0.016 0.000 0.264 31 R C -0.708 175.626 176.300 0.056 0.000 1.026 31 R CA -0.797 55.330 56.100 0.046 0.000 1.002 31 R CB -0.280 30.047 30.300 0.044 0.000 1.174 31 R HN -0.175 nan 8.270 nan 0.000 0.488 32 F N 2.000 121.932 119.950 -0.030 0.000 2.608 32 F HA 0.195 4.713 4.527 -0.016 0.000 0.380 32 F C -1.670 174.101 175.800 -0.047 0.000 1.083 32 F CA -1.036 56.944 58.000 -0.033 0.000 1.266 32 F CB 0.366 39.347 39.000 -0.032 0.000 1.076 32 F HN 0.405 nan 8.300 nan 0.000 0.574 33 P HA 0.099 nan 4.420 nan 0.000 0.271 33 P C 0.141 177.423 177.300 -0.030 0.000 1.218 33 P CA 0.009 63.030 63.100 -0.131 0.000 0.780 33 P CB 0.726 32.299 31.700 -0.212 0.000 0.901 34 L N 0.521 121.655 121.223 -0.148 0.000 2.354 34 L HA 0.110 4.441 4.340 -0.016 0.000 0.212 34 L C 0.943 177.628 176.870 -0.309 0.000 1.091 34 L CA 0.770 55.446 54.840 -0.274 0.000 0.828 34 L CB -0.476 41.303 42.059 -0.467 0.000 0.973 34 L HN 0.423 nan 8.230 nan 0.000 0.461 35 H N 0.356 119.442 119.070 0.026 0.000 2.621 35 H HA 0.385 4.931 4.556 -0.017 0.000 0.360 35 H C -0.417 174.913 175.328 0.004 0.000 1.163 35 H CA -0.967 55.090 56.048 0.015 0.000 1.194 35 H CB 0.945 30.709 29.762 0.003 0.000 1.649 35 H HN 0.096 nan 8.280 nan 0.000 0.532 36 E N 1.594 121.884 120.200 0.149 0.000 2.408 36 E HA 0.258 4.599 4.350 -0.016 0.000 0.259 36 E C -0.019 176.608 176.600 0.044 0.000 1.110 36 E CA -0.146 56.296 56.400 0.070 0.000 0.929 36 E CB 1.478 31.206 29.700 0.047 0.000 0.971 36 E HN 0.350 nan 8.360 nan 0.000 0.438 37 M N 0.775 120.381 119.600 0.009 0.000 2.658 37 M HA 0.337 4.807 4.480 -0.016 0.000 0.295 37 M C -1.054 175.225 176.300 -0.035 0.000 1.248 37 M CA -0.775 54.513 55.300 -0.021 0.000 0.843 37 M CB 2.085 34.666 32.600 -0.031 0.000 1.749 37 M HN 0.376 nan 8.290 nan 0.000 0.464 38 R N 1.853 122.316 120.500 -0.063 0.000 2.489 38 R HA 0.022 4.353 4.340 -0.016 0.000 0.287 38 R C 0.197 176.468 176.300 -0.049 0.000 1.053 38 R CA -0.301 55.764 56.100 -0.060 0.000 1.036 38 R CB 0.257 30.508 30.300 -0.082 0.000 0.966 38 R HN 0.630 nan 8.270 nan 0.000 0.432 39 D N 2.121 122.508 120.400 -0.022 0.000 2.116 39 D HA -0.195 4.435 4.640 -0.016 0.000 0.193 39 D C 0.920 177.241 176.300 0.035 0.000 0.998 39 D CA 1.587 55.590 54.000 0.004 0.000 0.836 39 D CB 0.032 40.833 40.800 0.001 0.000 0.951 39 D HN 0.525 nan 8.370 nan 0.000 0.449 40 D N -0.175 120.234 120.400 0.015 0.000 2.219 40 D HA -0.071 4.560 4.640 -0.016 0.000 0.205 40 D C 2.212 178.548 176.300 0.061 0.000 0.970 40 D CA 0.209 54.247 54.000 0.064 0.000 0.851 40 D CB 0.059 40.874 40.800 0.025 0.000 0.943 40 D HN 0.104 nan 8.370 nan 0.000 0.488 41 V N 1.142 120.999 119.914 -0.095 0.000 2.346 41 V HA -0.141 3.970 4.120 -0.016 0.000 0.244 41 V C 2.540 178.544 176.094 -0.151 0.000 1.037 41 V CA 1.475 63.590 62.300 -0.308 0.000 1.029 41 V CB -0.707 30.808 31.823 -0.514 0.000 0.663 41 V HN 0.146 nan 8.190 nan 0.000 0.454 42 A N 0.089 122.870 122.820 -0.064 0.000 1.873 42 A HA -0.295 4.015 4.320 -0.016 0.000 0.218 42 A C 2.137 179.739 177.584 0.030 0.000 1.193 42 A CA 2.339 54.366 52.037 -0.016 0.000 0.629 42 A CB -0.848 18.155 19.000 0.006 0.000 0.826 42 A HN 0.531 nan 8.150 nan 0.000 0.447 43 F N 0.446 120.381 119.950 -0.026 0.000 2.095 43 F HA -0.240 4.279 4.527 -0.012 0.000 0.298 43 F C 2.477 178.304 175.800 0.044 0.000 1.104 43 F CA 2.420 60.423 58.000 0.005 0.000 1.232 43 F CB -0.494 38.509 39.000 0.004 0.000 0.987 43 F HN 0.326 nan 8.300 nan 0.000 0.475 44 Q N 0.232 120.050 119.800 0.030 0.000 2.084 44 Q HA -0.167 4.164 4.340 -0.016 0.000 0.202 44 Q C 2.368 178.379 176.000 0.019 0.000 0.978 44 Q CA 2.083 57.906 55.803 0.035 0.000 0.844 44 Q CB -0.256 28.674 28.738 0.319 0.000 0.898 44 Q HN 0.529 nan 8.270 nan 0.000 0.426 45 I N 0.301 120.917 120.570 0.077 0.000 2.151 45 I HA -0.341 3.820 4.170 -0.016 0.000 0.243 45 I C 2.044 178.141 176.117 -0.034 0.000 1.080 45 I CA 1.313 62.657 61.300 0.073 0.000 1.339 45 I CB -0.201 37.832 38.000 0.055 0.000 1.039 45 I HN 0.254 nan 8.210 nan 0.000 0.409 46 I N 0.341 120.841 120.570 -0.118 0.000 2.233 46 I HA -0.285 3.875 4.170 -0.016 0.000 0.243 46 I C 2.322 178.324 176.117 -0.192 0.000 1.093 46 I CA 1.589 62.802 61.300 -0.144 0.000 1.380 46 I CB -0.560 37.349 38.000 -0.152 0.000 1.067 46 I HN 0.313 nan 8.210 nan 0.000 0.413 47 N N 1.243 119.718 118.700 -0.375 0.000 2.104 47 N HA -0.249 4.481 4.740 -0.016 0.000 0.190 47 N C 1.527 177.033 175.510 -0.007 0.000 1.024 47 N CA 1.845 54.695 53.050 -0.333 0.000 0.853 47 N CB -0.093 38.008 38.487 -0.643 0.000 1.008 47 N HN 0.143 nan 8.380 nan 0.000 0.424 48 D N 0.278 120.695 120.400 0.029 0.000 2.133 48 D HA -0.162 4.468 4.640 -0.016 0.000 0.195 48 D C 1.670 178.039 176.300 0.116 0.000 0.997 48 D CA 1.089 55.151 54.000 0.103 0.000 0.840 48 D CB -0.273 40.526 40.800 -0.002 0.000 0.947 48 D HN 0.536 nan 8.370 nan 0.000 0.452 49 E N -0.057 120.165 120.200 0.036 0.000 2.106 49 E HA -0.090 4.251 4.350 -0.016 0.000 0.192 49 E C 2.237 178.858 176.600 0.035 0.000 0.984 49 E CA 0.330 56.743 56.400 0.021 0.000 0.806 49 E CB -0.079 29.612 29.700 -0.014 0.000 0.750 49 E HN 0.325 nan 8.360 nan 0.000 0.458 50 L N 0.161 121.390 121.223 0.012 0.000 2.456 50 L HA -0.132 4.198 4.340 -0.016 0.000 0.224 50 L C 1.695 178.540 176.870 -0.042 0.000 1.148 50 L CA 0.570 55.384 54.840 -0.043 0.000 0.825 50 L CB -0.323 41.670 42.059 -0.110 0.000 0.937 50 L HN 0.151 nan 8.230 nan 0.000 0.450 51 Y N -0.192 120.070 120.300 -0.062 0.000 2.574 51 Y HA -0.122 4.416 4.550 -0.021 0.000 0.294 51 Y C 2.117 177.989 175.900 -0.048 0.000 1.142 51 Y CA 0.743 58.812 58.100 -0.051 0.000 1.314 51 Y CB -0.164 38.266 38.460 -0.050 0.000 0.991 51 Y HN 0.156 nan 8.280 nan 0.000 0.555 52 L N -0.703 120.577 121.223 0.095 0.000 2.554 52 L HA -0.031 4.300 4.340 -0.016 0.000 0.226 52 L C 0.131 177.001 176.870 -0.000 0.000 1.137 52 L CA 0.162 55.024 54.840 0.036 0.000 0.863 52 L CB -0.305 41.763 42.059 0.016 0.000 0.985 52 L HN 0.029 nan 8.230 nan 0.000 0.451 53 D N 0.535 120.923 120.400 -0.020 0.000 2.339 53 D HA 0.269 4.899 4.640 -0.016 0.000 0.245 53 D C 0.497 176.773 176.300 -0.041 0.000 1.115 53 D CA 0.201 54.176 54.000 -0.042 0.000 0.917 53 D CB 1.373 42.135 40.800 -0.063 0.000 1.192 53 D HN 0.032 nan 8.370 nan 0.000 0.428 54 G N 0.065 108.840 108.800 -0.042 0.000 2.599 54 G HA2 0.166 4.116 3.960 -0.016 0.000 0.264 54 G HA3 0.166 4.116 3.960 -0.016 0.000 0.264 54 G C 0.746 175.618 174.900 -0.046 0.000 1.200 54 G CA -0.503 44.574 45.100 -0.039 0.000 0.896 54 G HN 0.539 nan 8.290 nan 0.000 0.536 55 N N -1.180 117.494 118.700 -0.042 0.000 2.236 55 N HA 0.274 5.004 4.740 -0.016 0.000 0.196 55 N C 1.278 176.771 175.510 -0.027 0.000 1.114 55 N CA 0.900 53.925 53.050 -0.041 0.000 0.859 55 N CB 0.561 39.023 38.487 -0.041 0.000 0.982 55 N HN 1.208 nan 8.380 nan 0.000 0.493 56 A N -0.295 122.511 122.820 -0.023 0.000 3.396 56 A HA -0.301 4.009 4.320 -0.016 0.000 0.267 56 A C 1.690 179.272 177.584 -0.002 0.000 1.139 56 A CA 1.296 53.328 52.037 -0.010 0.000 1.115 56 A CB -1.871 17.126 19.000 -0.006 0.000 1.133 56 A HN 0.296 nan 8.150 nan 0.000 0.920 57 R N -0.344 120.152 120.500 -0.006 0.000 2.120 57 R HA -0.095 4.235 4.340 -0.016 0.000 0.234 57 R C 1.615 177.929 176.300 0.024 0.000 1.123 57 R CA 1.822 57.926 56.100 0.008 0.000 0.975 57 R CB -0.345 29.962 30.300 0.012 0.000 0.866 57 R HN 0.894 nan 8.270 nan 0.000 0.446 58 Q N 0.506 120.291 119.800 -0.025 0.000 2.246 58 Q HA 0.083 4.413 4.340 -0.016 0.000 0.202 58 Q C -0.071 176.011 176.000 0.137 0.000 0.883 58 Q CA -0.325 55.483 55.803 0.009 0.000 0.952 58 Q CB 0.293 28.772 28.738 -0.432 0.000 1.078 58 Q HN 0.079 nan 8.270 nan 0.000 0.493 59 N N 1.401 120.131 118.700 0.051 0.000 2.406 59 N HA 0.082 4.812 4.740 -0.016 0.000 0.251 59 N C -0.157 175.346 175.510 -0.011 0.000 1.069 59 N CA 0.074 53.153 53.050 0.048 0.000 0.947 59 N CB 0.687 39.196 38.487 0.037 0.000 1.111 59 N HN 0.236 nan 8.380 nan 0.000 0.497 60 L N 2.505 123.713 121.223 -0.024 0.000 2.818 60 L HA 0.303 4.633 4.340 -0.016 0.000 0.243 60 L C 1.541 178.356 176.870 -0.093 0.000 1.185 60 L CA -0.153 54.597 54.840 -0.151 0.000 0.988 60 L CB 0.125 42.038 42.059 -0.243 0.000 1.292 60 L HN 0.488 nan 8.230 nan 0.000 0.519 61 A N -0.723 122.091 122.820 -0.010 0.000 2.044 61 A HA 0.065 4.375 4.320 -0.016 0.000 0.213 61 A C 1.249 178.853 177.584 0.033 0.000 1.169 61 A CA 0.553 52.610 52.037 0.034 0.000 0.724 61 A CB 0.119 19.191 19.000 0.120 0.000 0.840 61 A HN 0.268 nan 8.150 nan 0.000 0.463 62 T N -2.308 112.273 114.554 0.046 0.000 2.922 62 T HA 0.491 4.831 4.350 -0.016 0.000 0.285 62 T C 0.237 174.947 174.700 0.017 0.000 1.005 62 T CA -0.401 61.779 62.100 0.134 0.000 1.061 62 T CB 0.311 69.270 68.868 0.151 0.000 1.007 62 T HN 0.145 nan 8.240 nan 0.000 0.502 63 F N 1.099 121.024 119.950 -0.042 0.000 2.656 63 F HA 0.309 4.825 4.527 -0.017 0.000 0.291 63 F C 1.797 177.501 175.800 -0.159 0.000 1.122 63 F CA -0.503 57.436 58.000 -0.102 0.000 1.427 63 F CB -0.145 38.835 39.000 -0.032 0.000 1.125 63 F HN 0.447 nan 8.300 nan 0.000 0.583 64 C N 1.495 120.862 119.300 0.111 0.000 2.657 64 C HA 0.174 4.624 4.460 -0.016 0.000 0.404 64 C C 0.722 175.703 174.990 -0.015 0.000 1.291 64 C CA -1.036 57.996 59.018 0.022 0.000 2.218 64 C CB 0.029 27.739 27.740 -0.050 0.000 2.687 64 C HN 0.196 nan 8.230 nan 0.000 0.634 65 Q N 1.389 121.190 119.800 0.001 0.000 2.274 65 Q HA 0.122 4.452 4.340 -0.016 0.000 0.280 65 Q C 1.046 177.068 176.000 0.036 0.000 1.047 65 Q CA 0.733 56.553 55.803 0.027 0.000 0.907 65 Q CB 0.671 29.448 28.738 0.065 0.000 1.171 65 Q HN 0.993 nan 8.270 nan 0.000 0.381 66 T N -2.138 112.461 114.554 0.074 0.000 3.058 66 T HA 0.122 4.462 4.350 -0.016 0.000 0.278 66 T C -0.024 174.761 174.700 0.142 0.000 0.974 66 T CA -0.552 61.591 62.100 0.072 0.000 0.893 66 T CB 0.065 68.959 68.868 0.044 0.000 1.138 66 T HN 0.443 nan 8.240 nan 0.000 0.529 67 W N 3.012 124.305 121.300 -0.012 0.000 2.313 67 W HA 0.535 5.192 4.660 -0.006 0.000 0.328 67 W C -1.086 175.457 176.519 0.040 0.000 1.197 67 W CA -0.678 56.668 57.345 0.002 0.000 1.235 67 W CB 0.779 30.235 29.460 -0.006 0.000 1.158 67 W HN 0.027 nan 8.180 nan 0.000 0.578 68 D N 3.676 123.645 120.400 -0.717 0.000 2.192 68 D HA 0.115 4.746 4.640 -0.016 0.000 0.246 68 D C -1.245 174.466 176.300 -0.982 0.000 1.042 68 D CA -0.157 53.517 54.000 -0.544 0.000 0.847 68 D CB 1.833 42.428 40.800 -0.341 0.000 1.186 68 D HN 0.272 nan 8.370 nan 0.000 0.461 69 D N 1.162 121.307 120.400 -0.425 0.000 2.696 69 D HA 0.036 4.667 4.640 -0.016 0.000 0.251 69 D C 0.672 176.922 176.300 -0.084 0.000 1.188 69 D CA -0.468 53.339 54.000 -0.322 0.000 0.876 69 D CB 1.638 42.424 40.800 -0.022 0.000 1.334 69 D HN 0.241 nan 8.370 nan 0.000 0.540 70 E N 2.298 122.417 120.200 -0.134 0.000 2.147 70 E HA -0.244 4.096 4.350 -0.016 0.000 0.199 70 E C 0.819 177.387 176.600 -0.054 0.000 1.005 70 E CA 1.143 57.477 56.400 -0.111 0.000 0.810 70 E CB 0.256 29.892 29.700 -0.106 0.000 0.736 70 E HN 0.447 nan 8.360 nan 0.000 0.460 71 N N -0.112 118.538 118.700 -0.084 0.000 2.244 71 N HA -0.114 4.616 4.740 -0.016 0.000 0.183 71 N C 1.871 177.199 175.510 -0.303 0.000 1.016 71 N CA 0.751 53.664 53.050 -0.229 0.000 0.866 71 N CB -0.221 38.047 38.487 -0.366 0.000 0.980 71 N HN 0.051 nan 8.380 nan 0.000 0.430 72 V N 1.540 121.344 119.914 -0.183 0.000 2.358 72 V HA -0.203 3.907 4.120 -0.016 0.000 0.246 72 V C 2.119 178.146 176.094 -0.112 0.000 1.047 72 V CA 1.380 63.599 62.300 -0.136 0.000 1.035 72 V CB -0.644 31.171 31.823 -0.012 0.000 0.658 72 V HN 0.415 nan 8.190 nan 0.000 0.452 73 H N 0.695 119.688 119.070 -0.128 0.000 2.319 73 H HA -0.163 4.386 4.556 -0.011 0.000 0.299 73 H C 2.439 177.709 175.328 -0.097 0.000 1.092 73 H CA 1.941 57.926 56.048 -0.105 0.000 1.302 73 H CB 0.029 29.727 29.762 -0.107 0.000 1.373 73 H HN 0.450 nan 8.280 nan 0.000 0.497 74 K N 0.555 120.963 120.400 0.014 0.000 2.026 74 K HA -0.115 4.195 4.320 -0.016 0.000 0.208 74 K C 2.491 179.057 176.600 -0.056 0.000 1.048 74 K CA 0.964 57.232 56.287 -0.031 0.000 0.929 74 K CB -0.165 32.303 32.500 -0.053 0.000 0.713 74 K HN 0.152 nan 8.250 nan 0.000 0.439 75 L N 0.507 121.672 121.223 -0.097 0.000 1.989 75 L HA -0.233 4.097 4.340 -0.016 0.000 0.211 75 L C 2.675 179.508 176.870 -0.061 0.000 1.071 75 L CA 1.016 55.806 54.840 -0.083 0.000 0.749 75 L CB -0.460 41.528 42.059 -0.119 0.000 0.890 75 L HN 0.252 nan 8.230 nan 0.000 0.431 76 M N -0.441 119.111 119.600 -0.080 0.000 2.080 76 M HA -0.269 4.202 4.480 -0.016 0.000 0.260 76 M C 1.975 178.239 176.300 -0.060 0.000 1.068 76 M CA 1.867 57.118 55.300 -0.081 0.000 1.109 76 M CB -1.259 31.262 32.600 -0.130 0.000 1.342 76 M HN 0.250 nan 8.290 nan 0.000 0.405 77 D N 0.093 120.464 120.400 -0.048 0.000 2.178 77 D HA -0.115 4.516 4.640 -0.016 0.000 0.201 77 D C 1.968 178.254 176.300 -0.023 0.000 0.980 77 D CA 0.834 54.817 54.000 -0.029 0.000 0.842 77 D CB 0.030 40.823 40.800 -0.012 0.000 0.948 77 D HN 0.335 nan 8.370 nan 0.000 0.472 78 L N -0.457 120.753 121.223 -0.023 0.000 2.376 78 L HA 0.028 4.358 4.340 -0.016 0.000 0.219 78 L C 1.725 178.587 176.870 -0.015 0.000 1.133 78 L CA 0.556 55.389 54.840 -0.012 0.000 0.816 78 L CB 0.086 42.141 42.059 -0.005 0.000 0.933 78 L HN -0.029 nan 8.230 nan 0.000 0.449 79 S N -0.983 114.699 115.700 -0.031 0.000 2.559 79 S HA 0.172 4.632 4.470 -0.016 0.000 0.226 79 S C 1.736 176.296 174.600 -0.067 0.000 1.000 79 S CA -0.344 57.825 58.200 -0.050 0.000 0.948 79 S CB 0.323 63.495 63.200 -0.046 0.000 0.870 79 S HN 0.276 nan 8.310 nan 0.000 0.497 80 I N 2.411 122.953 120.570 -0.047 0.000 2.181 80 I HA -0.306 3.855 4.170 -0.016 0.000 0.247 80 I C 1.074 177.160 176.117 -0.051 0.000 1.081 80 I CA 1.433 62.707 61.300 -0.043 0.000 1.340 80 I CB 0.061 38.045 38.000 -0.026 0.000 1.036 80 I HN 0.238 nan 8.210 nan 0.000 0.417 81 N N 0.781 119.450 118.700 -0.052 0.000 2.280 81 N HA 0.057 4.787 4.740 -0.016 0.000 0.192 81 N C -0.074 175.326 175.510 -0.185 0.000 1.109 81 N CA 0.299 53.319 53.050 -0.051 0.000 0.855 81 N CB 0.124 38.623 38.487 0.021 0.000 0.974 81 N HN 0.301 nan 8.380 nan 0.000 0.482 82 K N 1.816 122.030 120.400 -0.310 0.000 2.363 82 K HA 0.072 4.383 4.320 -0.016 0.000 0.289 82 K C -0.124 176.105 176.600 -0.618 0.000 1.063 82 K CA -0.207 55.623 56.287 -0.761 0.000 0.967 82 K CB 0.171 32.388 32.500 -0.473 0.000 0.987 82 K HN -0.064 nan 8.250 nan 0.000 0.473 83 N N 3.053 121.287 118.700 -0.776 0.000 2.415 83 N HA -0.036 4.694 4.740 -0.016 0.000 0.246 83 N C 0.487 175.942 175.510 -0.092 0.000 1.078 83 N CA -0.364 52.554 53.050 -0.220 0.000 0.942 83 N CB 0.321 38.801 38.487 -0.012 0.000 1.140 83 N HN 0.613 nan 8.380 nan 0.000 0.501 84 W N 4.802 125.993 121.300 -0.182 0.000 2.292 84 W HA -0.247 4.403 4.660 -0.018 0.000 0.304 84 W C 1.443 177.904 176.519 -0.096 0.000 1.228 84 W CA 1.104 58.377 57.345 -0.121 0.000 1.241 84 W CB -0.110 29.288 29.460 -0.105 0.000 1.142 84 W HN 0.626 nan 8.180 nan 0.000 0.520 85 I N 0.298 120.820 120.570 -0.081 0.000 3.059 85 I HA -0.040 4.120 4.170 -0.016 0.000 0.270 85 I C 0.499 176.488 176.117 -0.214 0.000 1.238 85 I CA 1.050 62.159 61.300 -0.318 0.000 1.478 85 I CB -0.550 37.154 38.000 -0.493 0.000 1.097 85 I HN -0.206 nan 8.210 nan 0.000 0.455 86 D N 0.293 120.656 120.400 -0.060 0.000 2.524 86 D HA 0.065 4.695 4.640 -0.016 0.000 0.222 86 D C 1.188 177.505 176.300 0.027 0.000 1.142 86 D CA -0.062 53.989 54.000 0.084 0.000 0.973 86 D CB 0.648 41.587 40.800 0.231 0.000 1.025 86 D HN -0.130 nan 8.370 nan 0.000 0.519 87 K N 1.096 121.377 120.400 -0.198 0.000 2.209 87 K HA -0.107 4.203 4.320 -0.016 0.000 0.204 87 K C 1.626 178.094 176.600 -0.219 0.000 1.048 87 K CA 0.756 56.825 56.287 -0.364 0.000 0.940 87 K CB 0.109 32.087 32.500 -0.870 0.000 0.729 87 K HN 0.456 nan 8.250 nan 0.000 0.451 88 E N -0.035 120.099 120.200 -0.111 0.000 2.028 88 E HA -0.189 4.152 4.350 -0.016 0.000 0.191 88 E C 1.723 178.243 176.600 -0.132 0.000 0.988 88 E CA 1.189 57.550 56.400 -0.064 0.000 0.799 88 E CB 0.057 29.779 29.700 0.037 0.000 0.755 88 E HN 0.186 nan 8.360 nan 0.000 0.447 89 E N -0.721 119.345 120.200 -0.224 0.000 2.216 89 E HA -0.089 4.251 4.350 -0.016 0.000 0.192 89 E C -0.191 176.017 176.600 -0.653 0.000 0.988 89 E CA 0.814 56.911 56.400 -0.506 0.000 0.834 89 E CB 0.203 29.425 29.700 -0.797 0.000 0.772 89 E HN 0.293 nan 8.360 nan 0.000 0.479 90 Y N -0.353 119.912 120.300 -0.059 0.000 2.525 90 Y HA 0.305 4.845 4.550 -0.017 0.000 0.365 90 Y C -1.832 174.017 175.900 -0.086 0.000 0.929 90 Y CA -1.994 56.071 58.100 -0.058 0.000 1.196 90 Y CB 1.042 39.473 38.460 -0.049 0.000 1.232 90 Y HN 0.099 nan 8.280 nan 0.000 0.613 91 P HA -0.200 nan 4.420 nan 0.000 0.220 91 P C 1.434 178.717 177.300 -0.029 0.000 1.148 91 P CA 1.260 64.330 63.100 -0.051 0.000 0.803 91 P CB 0.655 32.317 31.700 -0.063 0.000 0.782 92 Q N 0.141 119.946 119.800 0.008 0.000 2.187 92 Q HA -0.001 4.329 4.340 -0.016 0.000 0.199 92 Q C 2.303 178.306 176.000 0.004 0.000 0.957 92 Q CA 1.436 57.243 55.803 0.008 0.000 0.857 92 Q CB -0.991 27.765 28.738 0.029 0.000 0.929 92 Q HN 0.100 nan 8.270 nan 0.000 0.453 93 S N 0.122 115.844 115.700 0.036 0.000 2.382 93 S HA -0.108 4.352 4.470 -0.016 0.000 0.228 93 S C 1.876 176.461 174.600 -0.024 0.000 1.027 93 S CA 0.904 59.116 58.200 0.021 0.000 0.991 93 S CB -0.418 62.805 63.200 0.038 0.000 0.823 93 S HN 0.555 nan 8.310 nan 0.000 0.469 94 A N 1.757 124.538 122.820 -0.064 0.000 1.877 94 A HA 0.080 4.390 4.320 -0.016 0.000 0.216 94 A C 2.378 179.906 177.584 -0.094 0.000 1.186 94 A CA 1.734 53.691 52.037 -0.133 0.000 0.620 94 A CB -1.162 17.727 19.000 -0.184 0.000 0.822 94 A HN 0.512 nan 8.150 nan 0.000 0.443 95 A N -0.089 122.684 122.820 -0.079 0.000 1.883 95 A HA -0.122 4.188 4.320 -0.016 0.000 0.217 95 A C 2.130 179.648 177.584 -0.111 0.000 1.186 95 A CA 1.638 53.629 52.037 -0.077 0.000 0.624 95 A CB -0.651 18.311 19.000 -0.062 0.000 0.822 95 A HN 0.495 nan 8.150 nan 0.000 0.444 96 I N -0.244 120.235 120.570 -0.152 0.000 2.286 96 I HA -0.249 3.911 4.170 -0.016 0.000 0.248 96 I C 2.263 178.276 176.117 -0.173 0.000 1.115 96 I CA 1.833 62.937 61.300 -0.328 0.000 1.392 96 I CB -0.327 37.464 38.000 -0.348 0.000 1.065 96 I HN 0.456 nan 8.210 nan 0.000 0.418 97 D N 1.023 121.430 120.400 0.011 0.000 2.117 97 D HA -0.173 4.457 4.640 -0.016 0.000 0.197 97 D C 2.193 178.605 176.300 0.187 0.000 0.987 97 D CA 1.366 55.489 54.000 0.205 0.000 0.829 97 D CB -0.066 40.898 40.800 0.273 0.000 0.961 97 D HN 0.254 nan 8.370 nan 0.000 0.460 98 L N -0.313 120.956 121.223 0.075 0.000 2.141 98 L HA -0.042 4.288 4.340 -0.016 0.000 0.209 98 L C 2.732 179.628 176.870 0.044 0.000 1.094 98 L CA 0.822 55.703 54.840 0.069 0.000 0.763 98 L CB -0.305 41.765 42.059 0.019 0.000 0.908 98 L HN 0.035 nan 8.230 nan 0.000 0.437 99 R N -1.049 119.446 120.500 -0.007 0.000 2.075 99 R HA -0.115 4.215 4.340 -0.016 0.000 0.232 99 R C 2.428 178.759 176.300 0.052 0.000 1.126 99 R CA 1.475 57.575 56.100 0.000 0.000 0.963 99 R CB -0.607 29.650 30.300 -0.071 0.000 0.858 99 R HN 0.384 nan 8.270 nan 0.000 0.435 100 C N 0.151 119.492 119.300 0.068 0.000 2.413 100 C HA -0.073 4.377 4.460 -0.016 0.000 0.276 100 C C 2.708 177.591 174.990 -0.179 0.000 1.248 100 C CA 0.501 59.550 59.018 0.052 0.000 1.742 100 C CB -0.629 27.130 27.740 0.032 0.000 2.017 100 C HN 0.287 nan 8.230 nan 0.000 0.481 101 V N 1.857 121.737 119.914 -0.055 0.000 2.295 101 V HA -0.211 3.899 4.120 -0.016 0.000 0.246 101 V C 2.187 178.240 176.094 -0.068 0.000 1.049 101 V CA 2.172 64.461 62.300 -0.018 0.000 1.024 101 V CB -0.727 31.215 31.823 0.197 0.000 0.648 101 V HN 0.518 nan 8.190 nan 0.000 0.447 102 N N 0.080 118.759 118.700 -0.034 0.000 2.104 102 N HA -0.157 4.573 4.740 -0.016 0.000 0.190 102 N C 1.781 177.210 175.510 -0.135 0.000 1.024 102 N CA 1.723 54.738 53.050 -0.058 0.000 0.853 102 N CB -0.425 38.047 38.487 -0.025 0.000 1.008 102 N HN 0.440 nan 8.380 nan 0.000 0.424 103 M N -0.186 119.325 119.600 -0.150 0.000 2.229 103 M HA -0.079 4.391 4.480 -0.016 0.000 0.264 103 M C 1.929 177.964 176.300 -0.441 0.000 1.063 103 M CA 0.856 56.004 55.300 -0.253 0.000 1.114 103 M CB -0.070 32.396 32.600 -0.223 0.000 1.387 103 M HN -0.068 nan 8.290 nan 0.000 0.420 104 V N 0.372 119.988 119.914 -0.496 0.000 2.255 104 V HA -0.198 3.913 4.120 -0.016 0.000 0.243 104 V C 2.667 178.334 176.094 -0.712 0.000 1.038 104 V CA 1.924 63.756 62.300 -0.779 0.000 1.008 104 V CB -1.206 30.086 31.823 -0.885 0.000 0.645 104 V HN 0.503 nan 8.190 nan 0.000 0.449 105 A N 0.341 122.949 122.820 -0.354 0.000 1.929 105 A HA -0.423 3.887 4.320 -0.016 0.000 0.221 105 A C 2.001 179.495 177.584 -0.149 0.000 1.211 105 A CA 2.886 54.854 52.037 -0.116 0.000 0.657 105 A CB -0.969 18.003 19.000 -0.048 0.000 0.827 105 A HN 0.696 nan 8.150 nan 0.000 0.462 106 D N -1.189 119.073 120.400 -0.230 0.000 2.117 106 D HA -0.103 4.527 4.640 -0.016 0.000 0.198 106 D C 1.738 177.852 176.300 -0.309 0.000 0.982 106 D CA 1.171 55.043 54.000 -0.213 0.000 0.828 106 D CB -0.202 40.484 40.800 -0.191 0.000 0.967 106 D HN 0.284 nan 8.370 nan 0.000 0.464 107 L N -0.385 120.589 121.223 -0.414 0.000 2.131 107 L HA -0.051 4.279 4.340 -0.016 0.000 0.210 107 L C 1.024 177.687 176.870 -0.345 0.000 1.092 107 L CA 1.179 55.742 54.840 -0.462 0.000 0.759 107 L CB -0.333 41.362 42.059 -0.608 0.000 0.903 107 L HN 0.240 nan 8.230 nan 0.000 0.435 108 W N -0.284 120.837 121.300 -0.299 0.000 3.330 108 W HA 0.229 4.879 4.660 -0.016 0.000 0.348 108 W C 0.583 177.043 176.519 -0.099 0.000 1.205 108 W CA -0.171 56.994 57.345 -0.299 0.000 1.841 108 W CB -1.091 28.200 29.460 -0.283 0.000 1.084 108 W HN 0.373 nan 8.180 nan 0.000 0.665 109 H N -1.604 117.513 119.070 0.079 0.000 2.992 109 H HA -0.151 4.395 4.556 -0.016 0.000 0.266 109 H C 1.014 176.400 175.328 0.096 0.000 1.200 109 H CA 0.818 56.884 56.048 0.029 0.000 1.135 109 H CB -1.780 27.944 29.762 -0.062 0.000 1.282 109 H HN 0.102 nan 8.280 nan 0.000 0.351 110 A N 1.475 124.427 122.820 0.220 0.000 2.587 110 A HA 0.253 4.564 4.320 -0.016 0.000 0.235 110 A C -1.576 175.951 177.584 -0.095 0.000 1.044 110 A CA -0.531 51.425 52.037 -0.134 0.000 0.754 110 A CB 0.100 18.971 19.000 -0.216 0.000 0.968 110 A HN 0.047 nan 8.150 nan 0.000 0.509 111 P HA 0.212 nan 4.420 nan 0.000 0.264 111 P C 0.016 177.277 177.300 -0.064 0.000 1.193 111 P CA 0.644 63.701 63.100 -0.072 0.000 0.763 111 P CB 0.458 32.112 31.700 -0.076 0.000 0.810 112 A N 5.901 128.699 122.820 -0.037 0.000 2.580 112 A HA 0.213 4.523 4.320 -0.016 0.000 0.244 112 A C -1.657 175.909 177.584 -0.029 0.000 1.045 112 A CA -0.543 51.475 52.037 -0.031 0.000 0.761 112 A CB -1.294 17.694 19.000 -0.020 0.000 0.962 112 A HN 0.407 nan 8.150 nan 0.000 0.512 113 P HA 0.288 nan 4.420 nan 0.000 0.274 113 P C 0.341 177.633 177.300 -0.013 0.000 1.231 113 P CA -0.505 62.584 63.100 -0.019 0.000 0.790 113 P CB 0.788 32.481 31.700 -0.011 0.000 0.951 114 K N 1.449 121.842 120.400 -0.010 0.000 2.002 114 K HA -0.149 4.161 4.320 -0.016 0.000 0.209 114 K C 1.408 178.005 176.600 -0.005 0.000 1.048 114 K CA 1.855 58.138 56.287 -0.007 0.000 0.930 114 K CB -0.341 32.155 32.500 -0.007 0.000 0.714 114 K HN 0.547 nan 8.250 nan 0.000 0.438 115 N N -0.357 118.342 118.700 -0.003 0.000 2.383 115 N HA 0.035 4.765 4.740 -0.016 0.000 0.192 115 N C 0.898 176.408 175.510 0.001 0.000 1.141 115 N CA 0.879 53.928 53.050 -0.000 0.000 0.851 115 N CB 0.613 39.101 38.487 0.001 0.000 0.976 115 N HN 0.324 nan 8.380 nan 0.000 0.465 116 G N -0.581 108.219 108.800 -0.001 0.000 2.179 116 G HA2 -0.293 3.657 3.960 -0.016 0.000 0.260 116 G HA3 -0.293 3.657 3.960 -0.016 0.000 0.260 116 G C -0.218 174.684 174.900 0.004 0.000 0.977 116 G CA 0.351 45.451 45.100 -0.000 0.000 0.641 116 G HN 0.603 nan 8.290 nan 0.000 0.533 117 Q N 0.590 120.395 119.800 0.009 0.000 2.347 117 Q HA 0.767 5.097 4.340 -0.016 0.000 0.265 117 Q C 0.336 176.355 176.000 0.032 0.000 1.024 117 Q CA 0.325 56.141 55.803 0.021 0.000 0.731 117 Q CB 0.923 29.677 28.738 0.026 0.000 1.245 117 Q HN 1.154 nan 8.270 nan 0.000 0.472 118 A N 2.550 125.390 122.820 0.033 0.000 2.536 118 A HA 0.307 4.618 4.320 -0.016 0.000 0.234 118 A C -0.372 177.278 177.584 0.109 0.000 1.076 118 A CA -0.130 51.937 52.037 0.049 0.000 0.769 118 A CB 0.435 19.456 19.000 0.035 0.000 1.020 118 A HN 0.552 nan 8.150 nan 0.000 0.508 119 V N 2.017 122.017 119.914 0.145 0.000 2.304 119 V HA 0.638 4.748 4.120 -0.016 0.000 0.269 119 V C 0.748 177.112 176.094 0.450 0.000 1.036 119 V CA 0.756 63.194 62.300 0.231 0.000 0.840 119 V CB -0.060 31.872 31.823 0.181 0.000 1.036 119 V HN 1.420 nan 8.190 nan 0.000 0.466 120 G N 2.603 111.693 108.800 0.484 0.000 2.451 120 G HA2 0.620 4.571 3.960 -0.016 0.000 0.292 120 G HA3 0.620 4.571 3.960 -0.016 0.000 0.292 120 G C -1.206 174.045 174.900 0.584 0.000 1.427 120 G CA -0.202 45.285 45.100 0.644 0.000 0.792 120 G HN 0.543 nan 8.290 nan 0.000 0.498 121 T N -0.500 114.424 114.554 0.618 0.000 2.889 121 T HA 0.494 4.834 4.350 -0.016 0.000 0.315 121 T C -0.930 174.039 174.700 0.448 0.000 1.291 121 T CA -0.737 61.690 62.100 0.544 0.000 1.028 121 T CB 1.674 70.843 68.868 0.503 0.000 1.235 121 T HN 0.743 nan 8.240 nan 0.000 0.491 122 N N 1.372 120.242 118.700 0.285 0.000 2.513 122 N HA 0.489 5.219 4.740 -0.016 0.000 0.274 122 N C -0.385 174.856 175.510 -0.448 0.000 1.189 122 N CA 0.064 52.888 53.050 -0.377 0.000 0.975 122 N CB 1.319 39.513 38.487 -0.488 0.000 1.157 122 N HN 0.864 nan 8.380 nan 0.000 0.465 123 T N -0.596 113.605 114.554 -0.588 0.000 2.812 123 T HA 0.360 4.700 4.350 -0.016 0.000 0.294 123 T C 1.382 175.807 174.700 -0.460 0.000 1.159 123 T CA -0.799 61.032 62.100 -0.448 0.000 1.008 123 T CB 0.698 69.407 68.868 -0.265 0.000 1.289 123 T HN 0.267 nan 8.240 nan 0.000 0.514 124 I N 0.862 121.240 120.570 -0.320 0.000 2.614 124 I HA 0.245 4.405 4.170 -0.016 0.000 0.258 124 I C 1.456 177.500 176.117 -0.122 0.000 1.189 124 I CA 1.549 62.716 61.300 -0.221 0.000 1.462 124 I CB -1.299 36.613 38.000 -0.147 0.000 1.092 124 I HN 1.043 nan 8.210 nan 0.000 0.442 125 G N -1.243 107.465 108.800 -0.152 0.000 2.320 125 G HA2 0.133 4.083 3.960 -0.016 0.000 0.296 125 G HA3 0.133 4.083 3.960 -0.016 0.000 0.296 125 G C 0.126 174.960 174.900 -0.111 0.000 1.306 125 G CA 0.011 45.055 45.100 -0.093 0.000 0.836 125 G HN -0.165 nan 8.290 nan 0.000 0.517 126 S N -0.532 115.135 115.700 -0.054 0.000 2.406 126 S HA -0.032 4.429 4.470 -0.016 0.000 0.228 126 S C 2.569 177.109 174.600 -0.100 0.000 1.020 126 S CA 1.688 59.862 58.200 -0.042 0.000 0.965 126 S CB -0.234 62.974 63.200 0.014 0.000 0.798 126 S HN 0.633 nan 8.310 nan 0.000 0.488 127 S N 1.246 116.891 115.700 -0.092 0.000 2.377 127 S HA -0.239 4.221 4.470 -0.016 0.000 0.224 127 S C 1.943 176.447 174.600 -0.160 0.000 1.042 127 S CA 1.783 59.902 58.200 -0.135 0.000 1.086 127 S CB -0.435 62.727 63.200 -0.064 0.000 0.995 127 S HN 0.656 nan 8.310 nan 0.000 0.428 128 E N 0.308 120.441 120.200 -0.111 0.000 2.085 128 E HA -0.173 4.167 4.350 -0.016 0.000 0.194 128 E C 2.167 178.667 176.600 -0.167 0.000 0.994 128 E CA 1.046 57.376 56.400 -0.117 0.000 0.801 128 E CB -0.360 29.274 29.700 -0.110 0.000 0.743 128 E HN 0.515 nan 8.360 nan 0.000 0.453 129 A N 0.743 123.475 122.820 -0.146 0.000 1.884 129 A HA -0.282 4.028 4.320 -0.016 0.000 0.219 129 A C 2.550 180.016 177.584 -0.198 0.000 1.197 129 A CA 1.848 53.818 52.037 -0.111 0.000 0.637 129 A CB -1.217 17.769 19.000 -0.022 0.000 0.827 129 A HN 0.556 nan 8.150 nan 0.000 0.450 130 C N -0.449 118.660 119.300 -0.318 0.000 2.432 130 C HA -0.141 4.309 4.460 -0.016 0.000 0.277 130 C C 3.016 177.494 174.990 -0.852 0.000 1.249 130 C CA 1.392 60.005 59.018 -0.675 0.000 1.725 130 C CB -1.146 25.945 27.740 -1.081 0.000 2.028 130 C HN 0.644 nan 8.230 nan 0.000 0.477 131 M N 0.540 119.780 119.600 -0.600 0.000 2.080 131 M HA -0.137 4.333 4.480 -0.016 0.000 0.260 131 M C 2.119 178.168 176.300 -0.419 0.000 1.068 131 M CA 1.857 56.863 55.300 -0.489 0.000 1.109 131 M CB -1.355 31.122 32.600 -0.205 0.000 1.342 131 M HN 0.374 nan 8.290 nan 0.000 0.405 132 L N 0.242 121.284 121.223 -0.302 0.000 2.012 132 L HA -0.135 4.195 4.340 -0.016 0.000 0.210 132 L C 2.905 179.871 176.870 0.159 0.000 1.073 132 L CA 1.506 56.235 54.840 -0.185 0.000 0.748 132 L CB -1.527 40.365 42.059 -0.279 0.000 0.891 132 L HN 0.418 nan 8.230 nan 0.000 0.431 133 G N -0.310 108.448 108.800 -0.069 0.000 2.418 133 G HA2 -0.184 3.766 3.960 -0.016 0.000 0.217 133 G HA3 -0.184 3.766 3.960 -0.016 0.000 0.217 133 G C 1.595 176.438 174.900 -0.095 0.000 1.158 133 G CA 0.745 45.781 45.100 -0.106 0.000 0.771 133 G HN 0.486 nan 8.290 nan 0.000 0.545 134 G N 0.528 109.089 108.800 -0.398 0.000 2.418 134 G HA2 -0.211 3.739 3.960 -0.016 0.000 0.217 134 G HA3 -0.211 3.739 3.960 -0.016 0.000 0.217 134 G C 1.862 176.768 174.900 0.010 0.000 1.158 134 G CA 1.011 45.728 45.100 -0.639 0.000 0.771 134 G HN 0.392 nan 8.290 nan 0.000 0.545 135 M N 0.575 120.236 119.600 0.101 0.000 2.065 135 M HA -0.051 4.419 4.480 -0.016 0.000 0.259 135 M C 3.046 179.642 176.300 0.493 0.000 1.069 135 M CA 1.629 57.128 55.300 0.332 0.000 1.110 135 M CB -0.187 32.572 32.600 0.265 0.000 1.328 135 M HN 0.335 nan 8.290 nan 0.000 0.405 136 A N -0.162 122.936 122.820 0.464 0.000 1.933 136 A HA -0.187 4.123 4.320 -0.016 0.000 0.218 136 A C 2.086 179.927 177.584 0.429 0.000 1.175 136 A CA 1.512 53.804 52.037 0.425 0.000 0.628 136 A CB -0.626 18.695 19.000 0.535 0.000 0.814 136 A HN 0.490 nan 8.150 nan 0.000 0.444 137 M N -0.861 118.966 119.600 0.378 0.000 2.080 137 M HA -0.202 4.268 4.480 -0.016 0.000 0.260 137 M C 2.345 178.865 176.300 0.367 0.000 1.068 137 M CA 2.192 57.682 55.300 0.317 0.000 1.109 137 M CB -0.387 32.332 32.600 0.198 0.000 1.342 137 M HN 0.524 nan 8.290 nan 0.000 0.405 138 K N -0.180 120.468 120.400 0.414 0.000 2.032 138 K HA -0.215 4.095 4.320 -0.016 0.000 0.209 138 K C 2.012 178.871 176.600 0.432 0.000 1.048 138 K CA 1.483 58.021 56.287 0.419 0.000 0.927 138 K CB -0.167 32.595 32.500 0.437 0.000 0.712 138 K HN 0.427 nan 8.250 nan 0.000 0.441 139 W N 1.562 123.023 121.300 0.268 0.000 2.379 139 W HA -0.142 4.508 4.660 -0.016 0.000 0.307 139 W C 2.158 178.781 176.519 0.173 0.000 1.200 139 W CA 1.167 58.630 57.345 0.196 0.000 1.297 139 W CB -0.193 29.338 29.460 0.118 0.000 1.140 139 W HN 0.200 nan 8.180 nan 0.000 0.507 140 R N -0.793 119.943 120.500 0.393 0.000 2.094 140 R HA -0.263 4.067 4.340 -0.016 0.000 0.239 140 R C 1.995 178.436 176.300 0.235 0.000 1.137 140 R CA 2.347 58.611 56.100 0.272 0.000 0.943 140 R CB -1.491 28.966 30.300 0.262 0.000 0.850 140 R HN 0.250 nan 8.270 nan 0.000 0.433 141 W N 1.848 123.212 121.300 0.106 0.000 2.333 141 W HA -0.177 4.473 4.660 -0.016 0.000 0.316 141 W C 2.268 178.801 176.519 0.024 0.000 1.215 141 W CA 1.227 58.613 57.345 0.068 0.000 1.278 141 W CB -0.205 29.302 29.460 0.079 0.000 1.154 141 W HN -0.091 nan 8.180 nan 0.000 0.486 142 R N 0.492 120.999 120.500 0.013 0.000 2.103 142 R HA -0.207 4.123 4.340 -0.016 0.000 0.242 142 R C 2.219 178.332 176.300 -0.310 0.000 1.142 142 R CA 2.119 58.028 56.100 -0.318 0.000 0.960 142 R CB -0.478 29.694 30.300 -0.214 0.000 0.858 142 R HN 0.298 nan 8.270 nan 0.000 0.439 143 K N -0.268 120.044 120.400 -0.146 0.000 2.103 143 K HA -0.092 4.219 4.320 -0.016 0.000 0.204 143 K C 2.192 178.715 176.600 -0.128 0.000 1.052 143 K CA 0.854 57.084 56.287 -0.095 0.000 0.945 143 K CB -0.077 32.427 32.500 0.007 0.000 0.722 143 K HN 0.121 nan 8.250 nan 0.000 0.443 144 R N 0.183 120.597 120.500 -0.143 0.000 2.096 144 R HA -0.022 4.308 4.340 -0.016 0.000 0.235 144 R C 2.337 178.511 176.300 -0.209 0.000 1.127 144 R CA 1.244 57.262 56.100 -0.137 0.000 0.968 144 R CB -0.008 30.239 30.300 -0.088 0.000 0.861 144 R HN 0.150 nan 8.270 nan 0.000 0.440 145 M N -0.245 119.129 119.600 -0.378 0.000 2.160 145 M HA -0.089 4.382 4.480 -0.016 0.000 0.264 145 M C 1.888 178.040 176.300 -0.247 0.000 1.073 145 M CA 1.486 56.560 55.300 -0.377 0.000 1.142 145 M CB -0.715 31.493 32.600 -0.654 0.000 1.358 145 M HN 0.128 nan 8.290 nan 0.000 0.422 146 E N 0.700 120.757 120.200 -0.238 0.000 2.097 146 E HA -0.178 4.163 4.350 -0.016 0.000 0.196 146 E C 2.090 178.627 176.600 -0.104 0.000 1.000 146 E CA 1.505 57.815 56.400 -0.150 0.000 0.804 146 E CB -0.056 29.567 29.700 -0.129 0.000 0.740 146 E HN 0.486 nan 8.360 nan 0.000 0.454 147 A N 1.153 123.914 122.820 -0.098 0.000 1.892 147 A HA -0.174 4.136 4.320 -0.016 0.000 0.218 147 A C 2.208 179.753 177.584 -0.065 0.000 1.188 147 A CA 1.875 53.871 52.037 -0.068 0.000 0.631 147 A CB -0.633 18.332 19.000 -0.058 0.000 0.822 147 A HN 0.311 nan 8.150 nan 0.000 0.447 148 A N -0.886 121.885 122.820 -0.083 0.000 2.291 148 A HA 0.426 4.737 4.320 -0.016 0.000 0.220 148 A C 1.544 179.088 177.584 -0.066 0.000 1.262 148 A CA 0.903 52.899 52.037 -0.069 0.000 0.867 148 A CB -1.532 17.424 19.000 -0.073 0.000 0.888 148 A HN 1.911 nan 8.150 nan 0.000 0.487 149 G N 0.339 109.098 108.800 -0.069 0.000 2.441 149 G HA2 -0.286 3.664 3.960 -0.016 0.000 0.298 149 G HA3 -0.286 3.664 3.960 -0.016 0.000 0.298 149 G C 0.135 174.998 174.900 -0.062 0.000 0.949 149 G CA 1.041 46.104 45.100 -0.061 0.000 1.072 149 G HN 0.639 nan 8.290 nan 0.000 0.512 150 K N -0.158 120.188 120.400 -0.089 0.000 2.238 150 K HA 0.531 4.842 4.320 -0.016 0.000 0.239 150 K C -2.482 174.066 176.600 -0.085 0.000 0.987 150 K CA -2.052 54.188 56.287 -0.078 0.000 0.857 150 K CB 1.672 34.121 32.500 -0.085 0.000 1.154 150 K HN -0.009 nan 8.250 nan 0.000 0.439 151 P HA 0.084 nan 4.420 nan 0.000 0.279 151 P C -0.053 177.243 177.300 -0.007 0.000 1.239 151 P CA -0.271 62.820 63.100 -0.014 0.000 0.789 151 P CB 0.708 32.424 31.700 0.025 0.000 0.933 152 T N -3.322 111.229 114.554 -0.005 0.000 3.129 152 T HA 0.043 4.383 4.350 -0.016 0.000 0.267 152 T C 0.651 175.491 174.700 0.234 0.000 1.018 152 T CA -0.219 61.908 62.100 0.044 0.000 0.903 152 T CB -0.459 68.321 68.868 -0.148 0.000 1.067 152 T HN 0.361 nan 8.240 nan 0.000 0.549 153 D N 1.524 122.021 120.400 0.162 0.000 2.349 153 D HA -0.013 4.617 4.640 -0.016 0.000 0.215 153 D C 0.714 177.093 176.300 0.132 0.000 1.016 153 D CA 0.020 54.098 54.000 0.129 0.000 0.870 153 D CB 0.054 40.899 40.800 0.074 0.000 0.917 153 D HN 0.394 nan 8.370 nan 0.000 0.524 154 K N 1.581 122.088 120.400 0.177 0.000 3.237 154 K HA 0.260 4.570 4.320 -0.016 0.000 0.197 154 K C -2.566 174.057 176.600 0.038 0.000 1.133 154 K CA -1.364 54.985 56.287 0.104 0.000 0.944 154 K CB 1.592 34.148 32.500 0.093 0.000 0.952 154 K HN 0.165 nan 8.250 nan 0.000 0.515 155 P HA 0.008 nan 4.420 nan 0.000 0.271 155 P C -0.979 176.166 177.300 -0.260 0.000 1.218 155 P CA -0.142 62.682 63.100 -0.460 0.000 0.780 155 P CB 0.669 31.996 31.700 -0.622 0.000 0.901 156 N N 1.562 120.084 118.700 -0.298 0.000 2.405 156 N HA 0.599 5.329 4.740 -0.016 0.000 0.285 156 N C -1.488 173.925 175.510 -0.162 0.000 1.262 156 N CA -0.992 51.963 53.050 -0.158 0.000 0.773 156 N CB 1.371 39.798 38.487 -0.100 0.000 1.490 156 N HN 0.251 nan 8.380 nan 0.000 0.486 157 L N 1.390 122.562 121.223 -0.085 0.000 2.438 157 L HA 0.590 4.920 4.340 -0.016 0.000 0.270 157 L C -1.573 175.234 176.870 -0.106 0.000 0.972 157 L CA -0.836 53.953 54.840 -0.085 0.000 0.831 157 L CB 1.756 43.820 42.059 0.009 0.000 1.273 157 L HN 0.550 nan 8.230 nan 0.000 0.405 158 V N 4.598 124.430 119.914 -0.137 0.000 2.427 158 V HA 0.642 4.752 4.120 -0.016 0.000 0.286 158 V C 0.270 176.261 176.094 -0.170 0.000 1.034 158 V CA -0.323 61.897 62.300 -0.134 0.000 0.893 158 V CB 1.297 33.041 31.823 -0.132 0.000 0.982 158 V HN 0.991 nan 8.190 nan 0.000 0.452 159 C N 2.451 121.660 119.300 -0.151 0.000 3.259 159 C HA 0.949 5.399 4.460 -0.016 0.000 0.344 159 C C 0.440 175.373 174.990 -0.096 0.000 1.401 159 C CA -0.034 58.876 59.018 -0.180 0.000 1.219 159 C CB 1.165 28.721 27.740 -0.306 0.000 1.521 159 C HN 1.017 nan 8.230 nan 0.000 0.455 160 G N -0.370 108.393 108.800 -0.061 0.000 2.940 160 G HA2 0.800 4.751 3.960 -0.016 0.000 0.164 160 G HA3 0.800 4.751 3.960 -0.016 0.000 0.164 160 G C -2.805 172.124 174.900 0.049 0.000 1.326 160 G CA -0.903 44.207 45.100 0.017 0.000 1.020 160 G HN 0.766 nan 8.290 nan 0.000 0.586 161 P HA 0.236 nan 4.420 nan 0.000 0.263 161 P C 0.208 177.688 177.300 0.300 0.000 1.601 161 P CA -0.258 62.921 63.100 0.131 0.000 1.161 161 P CB 0.286 31.982 31.700 -0.007 0.000 1.730 162 V N 0.724 120.798 119.914 0.267 0.000 3.170 162 V HA 0.372 4.483 4.120 -0.016 0.000 0.309 162 V C 0.652 176.991 176.094 0.408 0.000 1.071 162 V CA -0.936 61.529 62.300 0.274 0.000 1.063 162 V CB 0.665 32.567 31.823 0.132 0.000 1.123 162 V HN 0.296 nan 8.190 nan 0.000 0.464 163 Q N 0.177 120.193 119.800 0.360 0.000 2.443 163 Q HA 0.261 4.591 4.340 -0.016 0.000 0.232 163 Q C 1.018 177.209 176.000 0.319 0.000 1.026 163 Q CA -0.038 55.921 55.803 0.260 0.000 0.924 163 Q CB 1.272 30.074 28.738 0.106 0.000 1.256 163 Q HN 0.890 nan 8.270 nan 0.000 0.519 164 I N 1.638 122.319 120.570 0.185 0.000 2.399 164 I HA -0.363 3.797 4.170 -0.016 0.000 0.254 164 I C 2.296 178.477 176.117 0.106 0.000 1.146 164 I CA 1.498 62.883 61.300 0.142 0.000 1.412 164 I CB -0.017 37.857 38.000 -0.210 0.000 1.076 164 I HN 0.862 nan 8.210 nan 0.000 0.432 165 C N -0.910 118.380 119.300 -0.017 0.000 2.411 165 C HA -0.167 4.284 4.460 -0.016 0.000 0.279 165 C C 2.312 177.180 174.990 -0.204 0.000 1.288 165 C CA 0.040 58.957 59.018 -0.169 0.000 1.764 165 C CB -2.089 25.458 27.740 -0.322 0.000 1.974 165 C HN 0.694 nan 8.230 nan 0.000 0.498 166 W N 0.195 121.515 121.300 0.033 0.000 2.436 166 W HA 0.045 4.696 4.660 -0.016 0.000 0.284 166 W C 2.949 179.467 176.519 -0.002 0.000 1.225 166 W CA 1.139 58.489 57.345 0.008 0.000 1.271 166 W CB -0.644 28.763 29.460 -0.089 0.000 1.114 166 W HN 0.442 nan 8.180 nan 0.000 0.559 167 H N 0.638 119.848 119.070 0.233 0.000 2.353 167 H HA -0.101 4.445 4.556 -0.017 0.000 0.300 167 H C 1.852 177.162 175.328 -0.030 0.000 1.090 167 H CA 1.626 57.737 56.048 0.106 0.000 1.327 167 H CB -0.262 29.536 29.762 0.060 0.000 1.383 167 H HN 0.241 nan 8.280 nan 0.000 0.508 168 K N 0.321 120.708 120.400 -0.021 0.000 1.973 168 K HA -0.160 4.151 4.320 -0.016 0.000 0.212 168 K C 2.134 178.541 176.600 -0.321 0.000 1.047 168 K CA 1.428 57.455 56.287 -0.432 0.000 0.937 168 K CB -0.504 31.759 32.500 -0.394 0.000 0.721 168 K HN 0.067 nan 8.250 nan 0.000 0.440 169 F N 1.889 121.804 119.950 -0.060 0.000 2.085 169 F HA -0.354 4.163 4.527 -0.017 0.000 0.299 169 F C 2.142 178.139 175.800 0.329 0.000 1.096 169 F CA 1.848 60.002 58.000 0.256 0.000 1.227 169 F CB -0.447 38.560 39.000 0.012 0.000 0.983 169 F HN 0.060 nan 8.300 nan 0.000 0.482 170 A N 0.074 122.994 122.820 0.167 0.000 1.902 170 A HA -0.187 4.123 4.320 -0.016 0.000 0.217 170 A C 2.236 179.808 177.584 -0.021 0.000 1.181 170 A CA 1.786 53.849 52.037 0.044 0.000 0.623 170 A CB -0.819 18.270 19.000 0.149 0.000 0.818 170 A HN 0.479 nan 8.150 nan 0.000 0.443 171 R N -1.513 118.973 120.500 -0.024 0.000 2.062 171 R HA -0.139 4.191 4.340 -0.016 0.000 0.231 171 R C 1.932 178.278 176.300 0.077 0.000 1.136 171 R CA 1.847 57.947 56.100 0.000 0.000 0.948 171 R CB -0.637 29.640 30.300 -0.038 0.000 0.845 171 R HN 0.517 nan 8.270 nan 0.000 0.430 172 Y N -1.238 119.021 120.300 -0.068 0.000 2.274 172 Y HA -0.194 4.346 4.550 -0.017 0.000 0.290 172 Y C 1.524 177.152 175.900 -0.454 0.000 1.145 172 Y CA 0.360 58.278 58.100 -0.304 0.000 1.203 172 Y CB -0.367 37.812 38.460 -0.467 0.000 0.984 172 Y HN 0.268 nan 8.280 nan 0.000 0.533 173 W N 0.364 121.601 121.300 -0.105 0.000 3.132 173 W HA 0.144 4.794 4.660 -0.017 0.000 0.364 173 W C -0.345 176.088 176.519 -0.142 0.000 1.129 173 W CA 0.065 57.301 57.345 -0.182 0.000 1.815 173 W CB 0.114 29.287 29.460 -0.477 0.000 1.099 173 W HN 0.080 nan 8.180 nan 0.000 0.605 174 D N 0.998 121.414 120.400 0.027 0.000 2.737 174 D HA -0.147 4.484 4.640 -0.016 0.000 0.238 174 D C -0.443 175.866 176.300 0.015 0.000 1.157 174 D CA 0.731 54.745 54.000 0.023 0.000 0.694 174 D CB -1.537 39.282 40.800 0.032 0.000 1.021 174 D HN -0.131 nan 8.370 nan 0.000 0.420 175 V N 0.561 120.466 119.914 -0.014 0.000 2.555 175 V HA 0.211 4.322 4.120 -0.016 0.000 0.302 175 V C 0.635 176.734 176.094 0.008 0.000 1.038 175 V CA -0.835 61.458 62.300 -0.012 0.000 0.887 175 V CB 2.301 34.135 31.823 0.018 0.000 0.991 175 V HN 0.151 nan 8.190 nan 0.000 0.434 176 E N 4.059 124.256 120.200 -0.006 0.000 2.324 176 E HA 0.166 4.506 4.350 -0.016 0.000 0.271 176 E C -0.899 175.707 176.600 0.011 0.000 1.028 176 E CA -0.397 56.006 56.400 0.005 0.000 0.890 176 E CB 0.826 30.522 29.700 -0.006 0.000 1.004 176 E HN 0.517 nan 8.360 nan 0.000 0.431 177 L N 6.681 127.921 121.223 0.028 0.000 2.268 177 L HA 0.231 4.562 4.340 -0.016 0.000 0.289 177 L C -0.203 176.668 176.870 0.002 0.000 1.064 177 L CA -0.170 54.683 54.840 0.021 0.000 0.824 177 L CB 0.258 42.338 42.059 0.035 0.000 1.202 177 L HN 0.602 nan 8.230 nan 0.000 0.433 178 R N 4.218 124.703 120.500 -0.024 0.000 2.565 178 R HA 0.171 4.501 4.340 -0.016 0.000 0.286 178 R C -0.229 176.050 176.300 -0.036 0.000 1.256 178 R CA -0.276 55.808 56.100 -0.027 0.000 1.238 178 R CB 0.581 30.856 30.300 -0.041 0.000 1.153 178 R HN 0.536 nan 8.270 nan 0.000 0.553 179 E N 3.061 123.253 120.200 -0.014 0.000 2.152 179 E HA 0.088 4.428 4.350 -0.016 0.000 0.285 179 E C -0.472 176.123 176.600 -0.009 0.000 1.043 179 E CA -0.790 55.603 56.400 -0.013 0.000 0.839 179 E CB 0.650 30.368 29.700 0.031 0.000 1.069 179 E HN 0.296 nan 8.360 nan 0.000 0.399 180 I N 8.507 129.064 120.570 -0.021 0.000 2.581 180 I HA 0.029 4.189 4.170 -0.016 0.000 0.285 180 I C -1.864 174.241 176.117 -0.021 0.000 1.129 180 I CA -1.367 59.922 61.300 -0.019 0.000 1.397 180 I CB 0.274 38.264 38.000 -0.016 0.000 1.399 180 I HN 0.430 nan 8.210 nan 0.000 0.537 181 P HA 0.118 nan 4.420 nan 0.000 0.275 181 P C -0.412 176.842 177.300 -0.076 0.000 1.227 181 P CA -0.402 62.673 63.100 -0.041 0.000 0.781 181 P CB 0.578 32.259 31.700 -0.031 0.000 0.906 182 M N 3.345 122.873 119.600 -0.120 0.000 2.245 182 M HA 0.145 4.616 4.480 -0.016 0.000 0.344 182 M C 1.006 177.223 176.300 -0.139 0.000 1.170 182 M CA 0.893 56.085 55.300 -0.180 0.000 1.135 182 M CB 0.086 32.539 32.600 -0.245 0.000 1.574 182 M HN 0.400 nan 8.290 nan 0.000 0.452 183 R N 2.130 122.543 120.500 -0.144 0.000 2.680 183 R HA 0.641 4.971 4.340 -0.016 0.000 0.269 183 R C -3.185 173.052 176.300 -0.105 0.000 1.026 183 R CA -2.056 53.982 56.100 -0.103 0.000 0.889 183 R CB 0.285 30.545 30.300 -0.067 0.000 1.241 183 R HN 0.218 nan 8.270 nan 0.000 0.463 184 P HA -0.026 nan 4.420 nan 0.000 0.261 184 P C 0.674 177.942 177.300 -0.054 0.000 1.165 184 P CA 1.737 64.797 63.100 -0.066 0.000 0.759 184 P CB 0.457 32.131 31.700 -0.043 0.000 0.772 185 G N 1.873 110.645 108.800 -0.047 0.000 2.180 185 G HA2 -0.315 3.635 3.960 -0.016 0.000 0.263 185 G HA3 -0.315 3.635 3.960 -0.016 0.000 0.263 185 G C 0.168 175.057 174.900 -0.019 0.000 0.989 185 G CA 0.430 45.519 45.100 -0.018 0.000 0.692 185 G HN 0.667 nan 8.290 nan 0.000 0.526 186 Q N -1.120 118.640 119.800 -0.067 0.000 3.345 186 Q HA 0.477 4.807 4.340 -0.016 0.000 0.204 186 Q C 0.899 176.781 176.000 -0.196 0.000 0.847 186 Q CA -0.509 55.255 55.803 -0.064 0.000 0.780 186 Q CB 0.314 29.041 28.738 -0.017 0.000 1.426 186 Q HN 0.237 nan 8.270 nan 0.000 0.460 187 L N 2.015 122.970 121.223 -0.447 0.000 2.591 187 L HA 0.294 4.624 4.340 -0.016 0.000 0.228 187 L C -0.481 175.765 176.870 -1.040 0.000 1.133 187 L CA 0.591 54.895 54.840 -0.895 0.000 0.880 187 L CB 0.234 41.513 42.059 -1.300 0.000 1.033 187 L HN 0.330 nan 8.230 nan 0.000 0.450 188 F N -1.371 118.588 119.950 0.016 0.000 2.588 188 F HA 0.358 4.875 4.527 -0.016 0.000 0.314 188 F C 0.270 176.079 175.800 0.015 0.000 1.069 188 F CA -1.510 56.503 58.000 0.021 0.000 0.931 188 F CB 1.338 40.365 39.000 0.045 0.000 1.260 188 F HN -0.285 nan 8.300 nan 0.000 0.465 189 M N 4.424 124.146 119.600 0.203 0.000 2.474 189 M HA 0.076 4.547 4.480 -0.016 0.000 0.352 189 M C -0.561 175.809 176.300 0.117 0.000 1.690 189 M CA 0.398 55.760 55.300 0.102 0.000 1.112 189 M CB -0.361 32.271 32.600 0.053 0.000 2.062 189 M HN 0.656 nan 8.290 nan 0.000 0.461 190 D N 5.572 126.024 120.400 0.087 0.000 2.272 190 D HA 0.386 5.016 4.640 -0.016 0.000 0.247 190 D C -2.580 173.745 176.300 0.041 0.000 0.990 190 D CA -1.789 52.261 54.000 0.083 0.000 0.931 190 D CB 0.954 41.801 40.800 0.078 0.000 1.195 190 D HN 0.268 nan 8.370 nan 0.000 0.477 191 P HA -0.148 nan 4.420 nan 0.000 0.215 191 P C 1.498 178.796 177.300 -0.003 0.000 1.157 191 P CA 1.253 64.361 63.100 0.014 0.000 0.863 191 P CB 0.229 31.945 31.700 0.027 0.000 0.787 192 K N 0.155 120.561 120.400 0.011 0.000 2.001 192 K HA -0.186 4.124 4.320 -0.016 0.000 0.214 192 K C 2.201 178.795 176.600 -0.010 0.000 1.050 192 K CA 1.767 58.057 56.287 0.006 0.000 0.934 192 K CB -0.311 32.198 32.500 0.016 0.000 0.718 192 K HN -0.071 nan 8.250 nan 0.000 0.443 193 R N 0.195 120.690 120.500 -0.007 0.000 2.193 193 R HA -0.057 4.273 4.340 -0.016 0.000 0.229 193 R C 2.294 178.568 176.300 -0.044 0.000 1.110 193 R CA 1.241 57.330 56.100 -0.018 0.000 0.988 193 R CB -0.136 30.158 30.300 -0.009 0.000 0.871 193 R HN 0.374 nan 8.270 nan 0.000 0.458 194 M N 0.302 119.869 119.600 -0.055 0.000 2.077 194 M HA -0.163 4.307 4.480 -0.016 0.000 0.261 194 M C 1.566 177.768 176.300 -0.163 0.000 1.070 194 M CA 1.680 56.922 55.300 -0.096 0.000 1.125 194 M CB 0.036 32.584 32.600 -0.086 0.000 1.339 194 M HN 0.068 nan 8.290 nan 0.000 0.409 195 I N 1.146 121.611 120.570 -0.174 0.000 2.194 195 I HA -0.310 3.851 4.170 -0.016 0.000 0.246 195 I C 2.129 178.122 176.117 -0.205 0.000 1.093 195 I CA 1.763 62.898 61.300 -0.275 0.000 1.355 195 I CB -1.539 36.381 38.000 -0.133 0.000 1.046 195 I HN 0.437 nan 8.210 nan 0.000 0.413 196 E N 0.307 120.452 120.200 -0.091 0.000 2.153 196 E HA -0.144 4.196 4.350 -0.016 0.000 0.194 196 E C 2.198 178.768 176.600 -0.050 0.000 0.988 196 E CA 1.278 57.654 56.400 -0.039 0.000 0.811 196 E CB -0.080 29.610 29.700 -0.017 0.000 0.746 196 E HN 0.510 nan 8.360 nan 0.000 0.466 197 A N -0.109 122.660 122.820 -0.085 0.000 2.123 197 A HA 0.000 4.311 4.320 -0.016 0.000 0.214 197 A C 0.878 178.405 177.584 -0.095 0.000 1.152 197 A CA 0.042 52.035 52.037 -0.073 0.000 0.728 197 A CB 0.012 18.966 19.000 -0.076 0.000 0.814 197 A HN 0.229 nan 8.150 nan 0.000 0.464 198 C N 2.012 121.205 119.300 -0.178 0.000 2.499 198 C HA 0.555 5.005 4.460 -0.016 0.000 0.386 198 C C 0.134 175.110 174.990 -0.024 0.000 1.293 198 C CA -0.462 58.422 59.018 -0.223 0.000 1.884 198 C CB -0.377 26.994 27.740 -0.616 0.000 2.509 198 C HN 0.742 nan 8.230 nan 0.000 0.566 199 D N 1.220 121.671 120.400 0.084 0.000 2.867 199 D HA 0.251 4.881 4.640 -0.016 0.000 0.308 199 D C -0.130 176.303 176.300 0.222 0.000 1.202 199 D CA -0.652 53.467 54.000 0.199 0.000 1.035 199 D CB 0.189 41.068 40.800 0.132 0.000 1.427 199 D HN 0.397 nan 8.370 nan 0.000 0.570 200 E N -0.726 119.604 120.200 0.217 0.000 2.463 200 E HA 0.198 4.538 4.350 -0.016 0.000 0.191 200 E C 0.235 177.076 176.600 0.403 0.000 1.083 200 E CA 0.054 56.614 56.400 0.266 0.000 0.872 200 E CB -0.382 29.433 29.700 0.191 0.000 0.966 200 E HN 0.250 nan 8.360 nan 0.000 0.491 201 N N 0.280 119.153 118.700 0.288 0.000 2.184 201 N HA 0.020 4.750 4.740 -0.016 0.000 0.206 201 N C -0.364 174.981 175.510 -0.274 0.000 1.151 201 N CA 0.114 53.309 53.050 0.243 0.000 0.878 201 N CB 0.799 39.379 38.487 0.154 0.000 1.014 201 N HN 0.002 nan 8.380 nan 0.000 0.512 202 T N 2.410 116.898 114.554 -0.111 0.000 2.769 202 T HA 0.132 4.472 4.350 -0.016 0.000 0.293 202 T C 1.962 176.478 174.700 -0.306 0.000 0.931 202 T CA -0.197 61.784 62.100 -0.200 0.000 1.139 202 T CB 0.416 69.242 68.868 -0.071 0.000 0.881 202 T HN 0.236 nan 8.240 nan 0.000 0.532 203 I N 1.018 121.315 120.570 -0.455 0.000 2.716 203 I HA 0.437 4.598 4.170 -0.016 0.000 0.259 203 I C 1.017 177.111 176.117 -0.038 0.000 1.172 203 I CA 0.073 61.175 61.300 -0.330 0.000 1.478 203 I CB 0.040 37.872 38.000 -0.281 0.000 1.104 203 I HN 0.632 nan 8.210 nan 0.000 0.439 204 G N 0.181 108.937 108.800 -0.074 0.000 2.451 204 G HA2 0.508 4.458 3.960 -0.016 0.000 0.292 204 G HA3 0.508 4.458 3.960 -0.016 0.000 0.292 204 G C -1.848 172.991 174.900 -0.101 0.000 1.427 204 G CA -0.435 44.641 45.100 -0.041 0.000 0.792 204 G HN -0.102 nan 8.290 nan 0.000 0.498 205 V N -0.126 119.728 119.914 -0.099 0.000 2.555 205 V HA 0.627 4.737 4.120 -0.016 0.000 0.302 205 V C -0.356 175.635 176.094 -0.172 0.000 1.038 205 V CA -0.668 61.548 62.300 -0.140 0.000 0.887 205 V CB 1.839 33.595 31.823 -0.112 0.000 0.991 205 V HN 0.656 nan 8.190 nan 0.000 0.434 206 V N 7.072 126.827 119.914 -0.264 0.000 2.284 206 V HA 0.338 4.448 4.120 -0.016 0.000 0.274 206 V C -2.453 173.493 176.094 -0.246 0.000 1.023 206 V CA -1.764 60.334 62.300 -0.337 0.000 0.808 206 V CB 1.437 32.805 31.823 -0.758 0.000 1.035 206 V HN 0.737 nan 8.190 nan 0.000 0.445 207 P HA 0.238 nan 4.420 nan 0.000 0.271 207 P C -0.179 177.075 177.300 -0.076 0.000 1.216 207 P CA 0.097 63.141 63.100 -0.093 0.000 0.776 207 P CB 0.540 32.192 31.700 -0.080 0.000 0.881 208 T N 3.612 118.155 114.554 -0.018 0.000 2.770 208 T HA 0.265 4.605 4.350 -0.016 0.000 0.297 208 T C -0.347 174.394 174.700 0.068 0.000 0.997 208 T CA -0.045 62.075 62.100 0.033 0.000 0.949 208 T CB -0.398 68.513 68.868 0.071 0.000 0.941 208 T HN 0.142 nan 8.240 nan 0.000 0.457 209 F N 3.793 123.640 119.950 -0.172 0.000 2.626 209 F HA 0.502 5.019 4.527 -0.016 0.000 0.353 209 F C 1.031 176.802 175.800 -0.047 0.000 1.230 209 F CA -0.815 57.022 58.000 -0.273 0.000 1.298 209 F CB -0.598 38.057 39.000 -0.575 0.000 1.670 209 F HN 0.816 nan 8.300 nan 0.000 0.633 210 G N 2.853 111.625 108.800 -0.047 0.000 2.551 210 G HA2 0.006 3.956 3.960 -0.016 0.000 0.604 210 G HA3 0.006 3.956 3.960 -0.016 0.000 0.604 210 G C -1.302 173.628 174.900 0.049 0.000 1.116 210 G CA -0.817 44.253 45.100 -0.050 0.000 1.285 210 G HN 0.342 nan 8.290 nan 0.000 0.586 211 V N 2.374 122.323 119.914 0.058 0.000 2.555 211 V HA 0.272 4.383 4.120 -0.016 0.000 0.286 211 V C 1.984 178.213 176.094 0.225 0.000 1.044 211 V CA 0.867 63.279 62.300 0.187 0.000 1.026 211 V CB 1.093 33.102 31.823 0.310 0.000 0.981 211 V HN 0.785 nan 8.190 nan 0.000 0.480 212 T N 3.468 118.106 114.554 0.139 0.000 2.720 212 T HA -0.186 4.154 4.350 -0.016 0.000 0.268 212 T C 1.464 176.207 174.700 0.073 0.000 1.037 212 T CA 2.084 64.177 62.100 -0.012 0.000 1.144 212 T CB -0.332 68.319 68.868 -0.362 0.000 0.864 212 T HN 0.710 nan 8.240 nan 0.000 0.444 213 Y N 1.625 122.007 120.300 0.137 0.000 2.293 213 Y HA -0.065 4.475 4.550 -0.016 0.000 0.291 213 Y C 2.939 179.016 175.900 0.295 0.000 1.137 213 Y CA 1.188 59.398 58.100 0.184 0.000 1.202 213 Y CB -0.356 38.203 38.460 0.166 0.000 0.990 213 Y HN 0.393 nan 8.280 nan 0.000 0.537 214 T N -6.673 108.131 114.554 0.416 0.000 2.980 214 T HA 0.465 4.806 4.350 -0.016 0.000 0.252 214 T C 1.669 176.488 174.700 0.198 0.000 0.962 214 T CA 0.457 62.740 62.100 0.306 0.000 0.932 214 T CB 0.508 69.585 68.868 0.349 0.000 1.188 214 T HN 0.336 nan 8.240 nan 0.000 0.500 215 G N 1.923 110.823 108.800 0.165 0.000 2.176 215 G HA2 -0.203 3.747 3.960 -0.016 0.000 0.232 215 G HA3 -0.203 3.747 3.960 -0.016 0.000 0.232 215 G C -0.089 174.713 174.900 -0.163 0.000 0.986 215 G CA -0.171 44.943 45.100 0.024 0.000 0.643 215 G HN 0.623 nan 8.290 nan 0.000 0.522 216 N N 0.092 118.697 118.700 -0.158 0.000 2.503 216 N HA 0.399 5.129 4.740 -0.016 0.000 0.267 216 N C -0.522 174.662 175.510 -0.545 0.000 1.214 216 N CA 0.039 52.829 53.050 -0.434 0.000 0.959 216 N CB 0.475 38.599 38.487 -0.605 0.000 1.142 216 N HN 0.085 nan 8.380 nan 0.000 0.455 217 Y N 0.781 120.674 120.300 -0.677 0.000 2.304 217 Y HA 0.113 4.653 4.550 -0.017 0.000 0.328 217 Y C 0.837 176.237 175.900 -0.833 0.000 1.123 217 Y CA -0.380 57.215 58.100 -0.843 0.000 1.218 217 Y CB 0.424 38.155 38.460 -1.215 0.000 1.207 217 Y HN 0.303 nan 8.280 nan 0.000 0.495 218 E N 3.581 123.594 120.200 -0.310 0.000 2.152 218 E HA 0.189 4.529 4.350 -0.016 0.000 0.285 218 E C -1.248 175.281 176.600 -0.119 0.000 1.043 218 E CA -0.414 55.873 56.400 -0.189 0.000 0.839 218 E CB 0.481 30.158 29.700 -0.039 0.000 1.069 218 E HN 0.330 nan 8.360 nan 0.000 0.399 219 F N 4.562 124.557 119.950 0.074 0.000 2.438 219 F HA 0.167 4.684 4.527 -0.016 0.000 0.360 219 F C -1.415 174.388 175.800 0.006 0.000 1.118 219 F CA -2.090 55.949 58.000 0.064 0.000 1.164 219 F CB 0.747 39.782 39.000 0.058 0.000 1.131 219 F HN 0.426 nan 8.300 nan 0.000 0.527 220 P HA -0.171 nan 4.420 nan 0.000 0.223 220 P C 1.565 178.900 177.300 0.058 0.000 1.151 220 P CA 0.874 63.988 63.100 0.023 0.000 0.787 220 P CB 0.173 31.814 31.700 -0.097 0.000 0.788 221 Q N 0.168 120.003 119.800 0.059 0.000 2.046 221 Q HA -0.105 4.225 4.340 -0.016 0.000 0.200 221 Q C -0.695 175.353 176.000 0.080 0.000 0.975 221 Q CA 2.407 58.230 55.803 0.034 0.000 0.836 221 Q CB -1.599 27.128 28.738 -0.018 0.000 0.896 221 Q HN 0.170 nan 8.270 nan 0.000 0.428 222 P HA -0.186 nan 4.420 nan 0.000 0.215 222 P C 1.053 178.396 177.300 0.071 0.000 1.157 222 P CA 1.315 64.453 63.100 0.063 0.000 0.874 222 P CB -0.145 31.591 31.700 0.061 0.000 0.790 223 L N -1.551 119.718 121.223 0.077 0.000 2.043 223 L HA -0.270 4.060 4.340 -0.016 0.000 0.212 223 L C 2.756 179.658 176.870 0.054 0.000 1.075 223 L CA 1.748 56.617 54.840 0.048 0.000 0.752 223 L CB -1.335 40.745 42.059 0.035 0.000 0.891 223 L HN 0.190 nan 8.230 nan 0.000 0.432 224 H N 0.321 119.385 119.070 -0.011 0.000 2.387 224 H HA -0.186 4.360 4.556 -0.016 0.000 0.299 224 H C 1.738 177.068 175.328 0.004 0.000 1.099 224 H CA 1.947 57.988 56.048 -0.013 0.000 1.315 224 H CB 0.192 29.936 29.762 -0.029 0.000 1.380 224 H HN 0.369 nan 8.280 nan 0.000 0.513 225 D N 0.355 120.824 120.400 0.115 0.000 2.097 225 D HA -0.097 4.533 4.640 -0.016 0.000 0.195 225 D C 2.301 178.618 176.300 0.028 0.000 0.989 225 D CA 1.225 55.266 54.000 0.068 0.000 0.827 225 D CB -0.503 40.336 40.800 0.064 0.000 0.966 225 D HN 0.449 nan 8.370 nan 0.000 0.456 226 A N 0.850 123.686 122.820 0.026 0.000 1.883 226 A HA -0.163 4.148 4.320 -0.016 0.000 0.217 226 A C 2.430 180.035 177.584 0.036 0.000 1.186 226 A CA 1.118 53.171 52.037 0.027 0.000 0.624 226 A CB -0.902 18.101 19.000 0.005 0.000 0.822 226 A HN 0.227 nan 8.150 nan 0.000 0.444 227 L N -0.681 120.528 121.223 -0.024 0.000 2.083 227 L HA -0.194 4.136 4.340 -0.016 0.000 0.209 227 L C 2.152 179.030 176.870 0.014 0.000 1.083 227 L CA 1.322 56.152 54.840 -0.016 0.000 0.752 227 L CB -0.661 41.329 42.059 -0.114 0.000 0.899 227 L HN 0.322 nan 8.230 nan 0.000 0.433 228 D N 0.262 120.621 120.400 -0.068 0.000 2.092 228 D HA -0.205 4.426 4.640 -0.016 0.000 0.193 228 D C 2.159 178.479 176.300 0.032 0.000 0.994 228 D CA 1.261 55.242 54.000 -0.031 0.000 0.828 228 D CB -0.048 40.732 40.800 -0.033 0.000 0.963 228 D HN 0.136 nan 8.370 nan 0.000 0.450 229 K N -0.581 119.850 120.400 0.053 0.000 2.103 229 K HA -0.157 4.153 4.320 -0.016 0.000 0.207 229 K C 2.076 178.733 176.600 0.095 0.000 1.048 229 K CA 0.690 57.015 56.287 0.063 0.000 0.930 229 K CB -0.268 32.272 32.500 0.068 0.000 0.716 229 K HN 0.048 nan 8.250 nan 0.000 0.444 230 F N 1.781 121.720 119.950 -0.020 0.000 2.171 230 F HA -0.216 4.301 4.527 -0.016 0.000 0.300 230 F C 2.483 178.277 175.800 -0.010 0.000 1.090 230 F CA 1.704 59.697 58.000 -0.013 0.000 1.293 230 F CB -0.152 38.839 39.000 -0.015 0.000 1.013 230 F HN 0.119 nan 8.300 nan 0.000 0.486 231 Q N 0.158 119.979 119.800 0.035 0.000 2.079 231 Q HA -0.152 4.178 4.340 -0.016 0.000 0.200 231 Q C 2.315 178.261 176.000 -0.091 0.000 0.974 231 Q CA 1.543 57.315 55.803 -0.052 0.000 0.840 231 Q CB -0.391 28.353 28.738 0.009 0.000 0.898 231 Q HN 0.424 nan 8.270 nan 0.000 0.430 232 A N 0.871 123.660 122.820 -0.051 0.000 1.940 232 A HA -0.230 4.080 4.320 -0.016 0.000 0.219 232 A C 1.568 179.104 177.584 -0.079 0.000 1.176 232 A CA 1.949 53.958 52.037 -0.048 0.000 0.631 232 A CB -0.520 18.468 19.000 -0.020 0.000 0.814 232 A HN 0.507 nan 8.150 nan 0.000 0.446 233 D N -1.452 118.875 120.400 -0.122 0.000 2.183 233 D HA -0.035 4.595 4.640 -0.016 0.000 0.205 233 D C 2.039 178.215 176.300 -0.206 0.000 0.962 233 D CA 1.970 55.885 54.000 -0.143 0.000 0.849 233 D CB -0.178 40.548 40.800 -0.123 0.000 0.978 233 D HN 0.633 nan 8.370 nan 0.000 0.488 234 T N -4.429 109.925 114.554 -0.332 0.000 2.959 234 T HA 0.362 4.702 4.350 -0.016 0.000 0.254 234 T C 1.698 176.266 174.700 -0.219 0.000 1.003 234 T CA 0.709 62.605 62.100 -0.339 0.000 0.950 234 T CB 0.936 69.423 68.868 -0.636 0.000 1.090 234 T HN 0.140 nan 8.240 nan 0.000 0.503 235 G N 1.857 110.548 108.800 -0.181 0.000 2.189 235 G HA2 -0.229 3.721 3.960 -0.016 0.000 0.267 235 G HA3 -0.229 3.721 3.960 -0.016 0.000 0.267 235 G C 0.046 174.908 174.900 -0.064 0.000 0.975 235 G CA 0.294 45.336 45.100 -0.096 0.000 0.644 235 G HN 0.689 nan 8.290 nan 0.000 0.537 236 I N 1.175 121.684 120.570 -0.100 0.000 2.416 236 I HA 0.292 4.453 4.170 -0.016 0.000 0.288 236 I C -0.255 175.928 176.117 0.111 0.000 1.051 236 I CA -0.346 60.974 61.300 0.032 0.000 1.375 236 I CB 1.145 39.206 38.000 0.101 0.000 1.407 236 I HN -0.031 nan 8.210 nan 0.000 0.516 237 D N 8.263 128.739 120.400 0.127 0.000 2.472 237 D HA 0.406 5.036 4.640 -0.016 0.000 0.234 237 D C -0.534 175.853 176.300 0.144 0.000 1.088 237 D CA -0.315 53.754 54.000 0.116 0.000 0.882 237 D CB 0.666 41.513 40.800 0.078 0.000 1.037 237 D HN 0.267 nan 8.370 nan 0.000 0.520 238 I N 2.651 123.305 120.570 0.141 0.000 2.359 238 I HA 0.200 4.360 4.170 -0.016 0.000 0.294 238 I C 0.466 176.627 176.117 0.072 0.000 0.987 238 I CA -0.838 60.531 61.300 0.114 0.000 1.225 238 I CB 1.349 39.398 38.000 0.082 0.000 1.366 238 I HN 0.116 nan 8.210 nan 0.000 0.466 239 D N 6.397 126.854 120.400 0.095 0.000 2.329 239 D HA 0.497 5.127 4.640 -0.016 0.000 0.246 239 D C -0.197 176.140 176.300 0.061 0.000 1.111 239 D CA 0.025 54.083 54.000 0.097 0.000 0.941 239 D CB 1.226 42.113 40.800 0.146 0.000 1.169 239 D HN 0.303 nan 8.370 nan 0.000 0.441 240 M N 0.274 119.915 119.600 0.068 0.000 2.664 240 M HA 0.366 4.837 4.480 -0.016 0.000 0.314 240 M C -0.648 175.689 176.300 0.062 0.000 1.200 240 M CA -0.789 54.528 55.300 0.029 0.000 0.916 240 M CB 2.366 34.966 32.600 -0.000 0.000 1.717 240 M HN 0.355 nan 8.290 nan 0.000 0.470 241 H N 1.240 120.254 119.070 -0.093 0.000 2.667 241 H HA 0.521 5.067 4.556 -0.017 0.000 0.353 241 H C -1.711 173.526 175.328 -0.152 0.000 1.072 241 H CA -0.752 55.235 56.048 -0.101 0.000 1.214 241 H CB 1.163 30.894 29.762 -0.052 0.000 1.600 241 H HN 0.538 nan 8.280 nan 0.000 0.527 242 I N 4.251 124.385 120.570 -0.728 0.000 2.304 242 I HA 0.082 4.242 4.170 -0.016 0.000 0.291 242 I C 0.159 175.987 176.117 -0.482 0.000 1.018 242 I CA -0.423 60.582 61.300 -0.492 0.000 1.260 242 I CB 0.719 38.464 38.000 -0.424 0.000 1.390 242 I HN 0.743 nan 8.210 nan 0.000 0.475 243 D N 6.583 126.933 120.400 -0.084 0.000 2.402 243 D HA 0.282 4.912 4.640 -0.016 0.000 0.235 243 D C 0.529 176.843 176.300 0.024 0.000 1.226 243 D CA -0.097 53.980 54.000 0.129 0.000 0.918 243 D CB 0.863 41.869 40.800 0.342 0.000 1.043 243 D HN 0.622 nan 8.370 nan 0.000 0.506 244 A N 3.505 126.285 122.820 -0.067 0.000 2.610 244 A HA 0.506 4.816 4.320 -0.016 0.000 0.286 244 A C 1.915 179.518 177.584 0.032 0.000 1.306 244 A CA 0.389 52.375 52.037 -0.086 0.000 0.942 244 A CB -0.155 18.639 19.000 -0.343 0.000 1.112 244 A HN 0.578 nan 8.150 nan 0.000 0.527 245 A N 0.808 123.690 122.820 0.104 0.000 1.935 245 A HA -0.330 3.980 4.320 -0.016 0.000 0.224 245 A C 2.439 180.180 177.584 0.262 0.000 1.324 245 A CA 3.107 55.242 52.037 0.163 0.000 0.686 245 A CB -0.786 18.272 19.000 0.096 0.000 0.837 245 A HN 1.363 nan 8.150 nan 0.000 0.481 246 S N -2.913 112.940 115.700 0.254 0.000 2.599 246 S HA 0.315 4.775 4.470 -0.016 0.000 0.236 246 S C 2.000 176.780 174.600 0.300 0.000 1.077 246 S CA 0.990 59.455 58.200 0.442 0.000 0.906 246 S CB -0.695 62.870 63.200 0.608 0.000 0.804 246 S HN 0.881 nan 8.310 nan 0.000 0.497 247 G N 1.391 110.213 108.800 0.037 0.000 2.471 247 G HA2 0.164 4.115 3.960 -0.016 0.000 0.219 247 G HA3 0.164 4.115 3.960 -0.016 0.000 0.219 247 G C 1.356 176.137 174.900 -0.198 0.000 1.125 247 G CA 0.545 45.517 45.100 -0.213 0.000 0.775 247 G HN 0.651 nan 8.290 nan 0.000 0.548 248 G N 0.202 108.935 108.800 -0.111 0.000 2.485 248 G HA2 -0.141 3.809 3.960 -0.016 0.000 0.221 248 G HA3 -0.141 3.809 3.960 -0.016 0.000 0.221 248 G C 1.041 175.928 174.900 -0.021 0.000 1.115 248 G CA 0.442 45.443 45.100 -0.166 0.000 0.751 248 G HN 0.386 nan 8.290 nan 0.000 0.567 249 F N -0.632 119.560 119.950 0.403 0.000 2.683 249 F HA 0.492 5.010 4.527 -0.014 0.000 0.306 249 F C 1.599 177.706 175.800 0.513 0.000 1.102 249 F CA -0.366 57.927 58.000 0.488 0.000 1.244 249 F CB 0.506 39.842 39.000 0.559 0.000 1.029 249 F HN -0.008 nan 8.300 nan 0.000 0.545 250 L N -1.202 120.257 121.223 0.394 0.000 2.670 250 L HA 0.272 4.602 4.340 -0.016 0.000 0.177 250 L C 2.535 179.563 176.870 0.265 0.000 1.181 250 L CA 0.861 55.910 54.840 0.348 0.000 0.856 250 L CB -0.943 41.191 42.059 0.126 0.000 1.205 250 L HN -0.012 nan 8.230 nan 0.000 0.506 251 A N 0.897 123.779 122.820 0.103 0.000 1.927 251 A HA -0.158 4.153 4.320 -0.016 0.000 0.220 251 A C -0.388 177.270 177.584 0.123 0.000 1.185 251 A CA 2.110 54.208 52.037 0.102 0.000 0.639 251 A CB -1.960 17.029 19.000 -0.019 0.000 0.820 251 A HN 0.271 nan 8.150 nan 0.000 0.451 252 P HA -0.102 nan 4.420 nan 0.000 0.221 252 P C 0.645 177.755 177.300 -0.317 0.000 1.145 252 P CA 1.020 64.014 63.100 -0.176 0.000 0.795 252 P CB -0.099 31.322 31.700 -0.465 0.000 0.775 253 F N -1.791 118.276 119.950 0.195 0.000 2.437 253 F HA 0.030 4.548 4.527 -0.015 0.000 0.288 253 F C 2.011 177.892 175.800 0.134 0.000 1.085 253 F CA 0.495 58.594 58.000 0.165 0.000 1.430 253 F CB -1.192 37.933 39.000 0.210 0.000 1.120 253 F HN -0.251 nan 8.300 nan 0.000 0.556 254 V N -2.932 117.148 119.914 0.276 0.000 3.644 254 V HA 0.632 4.742 4.120 -0.016 0.000 0.267 254 V C 0.709 176.837 176.094 0.057 0.000 1.277 254 V CA 0.479 62.861 62.300 0.137 0.000 1.096 254 V CB -0.221 31.640 31.823 0.063 0.000 0.828 254 V HN 0.140 nan 8.190 nan 0.000 0.446 255 A N 1.086 123.963 122.820 0.096 0.000 3.474 255 A HA 0.627 4.937 4.320 -0.016 0.000 0.251 255 A C -1.617 176.049 177.584 0.137 0.000 1.062 255 A CA -0.376 51.718 52.037 0.096 0.000 0.945 255 A CB 0.258 19.321 19.000 0.105 0.000 1.296 255 A HN 0.282 nan 8.150 nan 0.000 0.592 256 P HA -0.092 nan 4.420 nan 0.000 0.225 256 P C 0.217 177.578 177.300 0.103 0.000 1.148 256 P CA 1.080 64.256 63.100 0.127 0.000 0.779 256 P CB 0.287 32.046 31.700 0.099 0.000 0.780 257 D N 0.038 120.486 120.400 0.080 0.000 2.289 257 D HA 0.024 4.654 4.640 -0.016 0.000 0.207 257 D C 1.080 177.414 176.300 0.057 0.000 0.966 257 D CA 0.252 54.277 54.000 0.042 0.000 0.868 257 D CB -0.293 40.523 40.800 0.026 0.000 0.943 257 D HN 0.281 nan 8.370 nan 0.000 0.514 258 I N 2.036 122.688 120.570 0.137 0.000 2.578 258 I HA -0.063 4.097 4.170 -0.016 0.000 0.286 258 I C 0.030 176.260 176.117 0.188 0.000 1.126 258 I CA -0.081 61.337 61.300 0.198 0.000 1.380 258 I CB 0.590 38.781 38.000 0.318 0.000 1.408 258 I HN -0.325 nan 8.210 nan 0.000 0.532 259 V N 8.308 128.245 119.914 0.038 0.000 2.372 259 V HA 0.083 4.193 4.120 -0.016 0.000 0.261 259 V C 0.574 176.582 176.094 -0.144 0.000 1.055 259 V CA -0.039 62.182 62.300 -0.131 0.000 0.930 259 V CB 0.045 31.763 31.823 -0.175 0.000 1.031 259 V HN 0.965 nan 8.190 nan 0.000 0.479 260 W N 3.795 124.844 121.300 -0.419 0.000 1.952 260 W HA 0.253 4.903 4.660 -0.017 0.000 0.236 260 W C -0.170 175.944 176.519 -0.675 0.000 0.880 260 W CA 0.207 57.162 57.345 -0.650 0.000 1.095 260 W CB 0.040 28.788 29.460 -1.186 0.000 0.933 260 W HN 0.631 nan 8.180 nan 0.000 0.553 261 D N 0.571 120.161 120.400 -1.349 0.000 2.577 261 D HA 0.236 4.866 4.640 -0.016 0.000 0.248 261 D C 0.717 176.531 176.300 -0.809 0.000 1.181 261 D CA -0.645 52.454 54.000 -1.502 0.000 1.083 261 D CB -0.447 39.232 40.800 -1.869 0.000 1.198 261 D HN -0.255 nan 8.370 nan 0.000 0.626 262 F N -0.340 119.340 119.950 -0.449 0.000 2.664 262 F HA 0.123 4.640 4.527 -0.017 0.000 0.297 262 F C 2.246 177.905 175.800 -0.236 0.000 1.164 262 F CA 0.369 58.223 58.000 -0.244 0.000 1.472 262 F CB -0.558 38.375 39.000 -0.112 0.000 1.108 262 F HN 0.077 nan 8.300 nan 0.000 0.596 263 R N -0.130 120.238 120.500 -0.220 0.000 2.189 263 R HA -0.022 4.309 4.340 -0.016 0.000 0.223 263 R C 0.295 176.444 176.300 -0.251 0.000 1.092 263 R CA 0.551 56.490 56.100 -0.268 0.000 0.989 263 R CB -0.193 29.847 30.300 -0.434 0.000 0.876 263 R HN 0.218 nan 8.270 nan 0.000 0.457 264 L N 1.940 122.977 121.223 -0.311 0.000 2.264 264 L HA 0.223 4.553 4.340 -0.016 0.000 0.289 264 L C -1.510 175.274 176.870 -0.143 0.000 1.044 264 L CA -1.994 52.586 54.840 -0.434 0.000 0.807 264 L CB 1.380 43.035 42.059 -0.673 0.000 1.192 264 L HN -0.133 nan 8.230 nan 0.000 0.425 265 P HA -0.135 nan 4.420 nan 0.000 0.219 265 P C 1.246 178.674 177.300 0.215 0.000 1.146 265 P CA 1.211 64.391 63.100 0.134 0.000 0.808 265 P CB 0.194 31.972 31.700 0.130 0.000 0.779 266 R N -0.530 120.209 120.500 0.398 0.000 2.193 266 R HA 0.066 4.397 4.340 -0.016 0.000 0.213 266 R C 0.395 176.801 176.300 0.176 0.000 1.055 266 R CA 0.131 56.373 56.100 0.237 0.000 0.995 266 R CB -0.275 30.095 30.300 0.118 0.000 0.893 266 R HN 0.046 nan 8.270 nan 0.000 0.459 267 V N 2.249 122.248 119.914 0.142 0.000 2.421 267 V HA -0.029 4.081 4.120 -0.016 0.000 0.271 267 V C 0.705 176.933 176.094 0.223 0.000 1.031 267 V CA 0.703 63.037 62.300 0.056 0.000 1.032 267 V CB 1.138 32.866 31.823 -0.159 0.000 1.009 267 V HN 0.078 nan 8.190 nan 0.000 0.477 268 K N 2.506 123.047 120.400 0.236 0.000 2.367 268 K HA 0.223 4.533 4.320 -0.016 0.000 0.195 268 K C 0.428 177.287 176.600 0.433 0.000 1.060 268 K CA 0.395 56.885 56.287 0.338 0.000 1.022 268 K CB 0.642 33.320 32.500 0.297 0.000 0.894 268 K HN 0.850 nan 8.250 nan 0.000 0.540 269 S N -0.980 114.895 115.700 0.291 0.000 2.552 269 S HA 0.611 5.071 4.470 -0.016 0.000 0.272 269 S C -0.886 173.546 174.600 -0.279 0.000 1.150 269 S CA -1.072 57.197 58.200 0.115 0.000 0.849 269 S CB 1.188 64.207 63.200 -0.301 0.000 1.113 269 S HN -0.042 nan 8.310 nan 0.000 0.458 270 I N 1.978 122.329 120.570 -0.364 0.000 2.689 270 I HA 0.695 4.855 4.170 -0.016 0.000 0.299 270 I C -0.175 175.768 176.117 -0.289 0.000 1.059 270 I CA -0.558 60.336 61.300 -0.677 0.000 1.055 270 I CB 2.577 39.972 38.000 -1.009 0.000 1.243 270 I HN 0.941 nan 8.210 nan 0.000 0.425 271 S N 3.569 119.117 115.700 -0.253 0.000 2.599 271 S HA 0.999 5.459 4.470 -0.016 0.000 0.294 271 S C -0.742 173.921 174.600 0.104 0.000 1.094 271 S CA -0.674 57.589 58.200 0.105 0.000 0.931 271 S CB 2.501 65.838 63.200 0.228 0.000 1.093 271 S HN 0.970 nan 8.310 nan 0.000 0.488 272 A N 0.876 123.894 122.820 0.330 0.000 2.586 272 A HA 0.800 5.111 4.320 -0.016 0.000 0.290 272 A C -0.991 176.846 177.584 0.422 0.000 1.086 272 A CA -0.913 51.346 52.037 0.370 0.000 0.665 272 A CB 0.956 20.232 19.000 0.459 0.000 1.279 272 A HN 0.978 nan 8.150 nan 0.000 0.423 273 S N 0.273 116.210 115.700 0.395 0.000 2.438 273 S HA 0.476 4.936 4.470 -0.016 0.000 0.316 273 S C 1.287 176.083 174.600 0.326 0.000 1.084 273 S CA -0.015 58.285 58.200 0.168 0.000 1.107 273 S CB 1.394 64.611 63.200 0.027 0.000 0.981 273 S HN 1.398 nan 8.310 nan 0.000 0.466 274 G N 2.112 111.036 108.800 0.205 0.000 2.418 274 G HA2 -0.225 3.725 3.960 -0.016 0.000 0.217 274 G HA3 -0.225 3.725 3.960 -0.016 0.000 0.217 274 G C 1.042 175.966 174.900 0.040 0.000 1.158 274 G CA 0.579 45.743 45.100 0.106 0.000 0.771 274 G HN 0.953 nan 8.290 nan 0.000 0.545 275 H N -0.244 118.868 119.070 0.071 0.000 2.553 275 H HA 0.330 4.876 4.556 -0.017 0.000 0.269 275 H C 1.230 176.578 175.328 0.035 0.000 1.011 275 H CA 0.212 56.279 56.048 0.030 0.000 1.150 275 H CB 0.150 29.910 29.762 -0.003 0.000 1.339 275 H HN 0.270 nan 8.280 nan 0.000 0.604 276 K N 0.443 121.004 120.400 0.268 0.000 4.253 276 K HA 0.172 4.482 4.320 -0.016 0.000 0.209 276 K C 0.737 177.352 176.600 0.025 0.000 1.106 276 K CA -0.596 55.770 56.287 0.133 0.000 1.876 276 K CB 0.029 32.685 32.500 0.260 0.000 2.732 276 K HN 0.022 nan 8.250 nan 0.000 0.648 277 F N 1.612 121.755 119.950 0.321 0.000 2.771 277 F HA -0.002 4.516 4.527 -0.015 0.000 0.299 277 F C 1.953 177.952 175.800 0.331 0.000 1.177 277 F CA 0.577 58.769 58.000 0.319 0.000 1.450 277 F CB -0.430 38.780 39.000 0.350 0.000 1.114 277 F HN 0.551 nan 8.300 nan 0.000 0.587 278 G N 0.053 108.993 108.800 0.232 0.000 2.448 278 G HA2 -0.151 3.799 3.960 -0.016 0.000 0.219 278 G HA3 -0.151 3.799 3.960 -0.016 0.000 0.219 278 G C 1.183 176.117 174.900 0.057 0.000 1.127 278 G CA 0.962 45.855 45.100 -0.346 0.000 0.766 278 G HN 0.502 nan 8.290 nan 0.000 0.552 279 L N -2.352 118.937 121.223 0.110 0.000 4.800 279 L HA -0.172 4.158 4.340 -0.016 0.000 0.412 279 L C 1.228 178.147 176.870 0.081 0.000 1.063 279 L CA -0.113 54.786 54.840 0.098 0.000 1.114 279 L CB -2.393 39.709 42.059 0.073 0.000 2.089 279 L HN 0.407 nan 8.230 nan 0.000 0.686 280 A N 0.553 123.410 122.820 0.061 0.000 2.313 280 A HA 0.731 5.042 4.320 -0.016 0.000 0.261 280 A C -1.859 175.777 177.584 0.085 0.000 1.090 280 A CA -0.737 51.336 52.037 0.061 0.000 0.807 280 A CB 0.103 19.127 19.000 0.041 0.000 1.055 280 A HN 0.102 nan 8.150 nan 0.000 0.492 281 P HA 0.254 nan 4.420 nan 0.000 0.279 281 P C -0.270 177.059 177.300 0.048 0.000 1.252 281 P CA -0.434 62.682 63.100 0.028 0.000 0.811 281 P CB 0.494 32.175 31.700 -0.033 0.000 1.035 282 L N 0.963 122.182 121.223 -0.007 0.000 2.667 282 L HA 0.000 4.330 4.340 -0.016 0.000 0.296 282 L C 1.435 178.325 176.870 0.032 0.000 1.252 282 L CA 1.724 56.522 54.840 -0.069 0.000 0.891 282 L CB -1.025 40.946 42.059 -0.147 0.000 1.141 282 L HN 0.919 nan 8.230 nan 0.000 0.501 283 G N 2.328 111.261 108.800 0.223 0.000 2.288 283 G HA2 -0.190 3.760 3.960 -0.016 0.000 0.205 283 G HA3 -0.190 3.760 3.960 -0.016 0.000 0.205 283 G C -0.490 174.411 174.900 0.002 0.000 1.071 283 G CA -0.299 44.865 45.100 0.107 0.000 0.788 283 G HN 0.818 nan 8.290 nan 0.000 0.491 284 C N 0.705 120.000 119.300 -0.009 0.000 2.705 284 C HA 0.845 5.295 4.460 -0.016 0.000 0.369 284 C C 0.675 175.323 174.990 -0.571 0.000 1.069 284 C CA 0.619 59.437 59.018 -0.334 0.000 1.260 284 C CB 0.465 28.083 27.740 -0.204 0.000 1.764 284 C HN 1.480 nan 8.230 nan 0.000 0.469 285 G N 3.202 111.613 108.800 -0.649 0.000 2.714 285 G HA2 0.842 4.793 3.960 -0.016 0.000 0.292 285 G HA3 0.842 4.793 3.960 -0.016 0.000 0.292 285 G C -1.934 172.469 174.900 -0.828 0.000 1.308 285 G CA -0.635 44.148 45.100 -0.529 0.000 0.964 285 G HN 0.735 nan 8.290 nan 0.000 0.484 286 W N -1.042 120.352 121.300 0.157 0.000 3.022 286 W HA 0.584 5.233 4.660 -0.018 0.000 0.335 286 W C -0.924 175.725 176.519 0.216 0.000 1.133 286 W CA -0.876 56.598 57.345 0.216 0.000 1.219 286 W CB 2.578 32.225 29.460 0.312 0.000 1.409 286 W HN 0.393 nan 8.180 nan 0.000 0.507 287 V N 5.539 125.708 119.914 0.424 0.000 2.623 287 V HA 0.611 4.721 4.120 -0.016 0.000 0.304 287 V C -1.260 174.952 176.094 0.196 0.000 1.054 287 V CA -0.856 61.561 62.300 0.196 0.000 0.882 287 V CB 1.240 33.010 31.823 -0.089 0.000 1.002 287 V HN 0.404 nan 8.190 nan 0.000 0.424 288 I N 6.078 126.773 120.570 0.208 0.000 2.465 288 I HA 0.464 4.624 4.170 -0.016 0.000 0.291 288 I C -0.443 175.807 176.117 0.222 0.000 1.014 288 I CA -0.568 60.942 61.300 0.349 0.000 1.093 288 I CB 1.854 40.198 38.000 0.573 0.000 1.267 288 I HN 0.585 nan 8.210 nan 0.000 0.431 289 W N 4.852 126.333 121.300 0.302 0.000 2.496 289 W HA 0.347 4.997 4.660 -0.017 0.000 0.327 289 W C 1.515 177.944 176.519 -0.151 0.000 1.086 289 W CA -0.608 56.854 57.345 0.194 0.000 1.222 289 W CB 1.771 31.331 29.460 0.168 0.000 1.304 289 W HN 0.698 nan 8.180 nan 0.000 0.547 290 R N 1.047 121.472 120.500 -0.125 0.000 2.119 290 R HA -0.239 4.091 4.340 -0.016 0.000 0.246 290 R C -0.288 175.884 176.300 -0.213 0.000 1.146 290 R CA 2.498 58.284 56.100 -0.523 0.000 0.962 290 R CB -0.038 30.161 30.300 -0.169 0.000 0.863 290 R HN 0.659 nan 8.270 nan 0.000 0.442 291 D N -3.677 116.724 120.400 0.002 0.000 2.738 291 D HA 0.043 4.674 4.640 -0.016 0.000 0.308 291 D C -0.042 176.284 176.300 0.043 0.000 1.311 291 D CA -0.707 53.300 54.000 0.012 0.000 0.799 291 D CB 0.134 40.927 40.800 -0.012 0.000 1.332 291 D HN -0.191 nan 8.370 nan 0.000 0.441 292 E N 0.214 120.418 120.200 0.007 0.000 2.114 292 E HA -0.217 4.123 4.350 -0.016 0.000 0.199 292 E C 1.267 177.844 176.600 -0.037 0.000 1.008 292 E CA 1.573 57.958 56.400 -0.024 0.000 0.810 292 E CB -0.060 29.626 29.700 -0.024 0.000 0.739 292 E HN 0.616 nan 8.360 nan 0.000 0.456 293 E N 0.229 120.427 120.200 -0.004 0.000 2.274 293 E HA -0.052 4.289 4.350 -0.016 0.000 0.194 293 E C 1.864 178.484 176.600 0.033 0.000 0.996 293 E CA 0.706 57.111 56.400 0.008 0.000 0.840 293 E CB -0.006 29.709 29.700 0.025 0.000 0.772 293 E HN 0.174 nan 8.360 nan 0.000 0.491 294 A N 1.030 123.893 122.820 0.072 0.000 2.119 294 A HA 0.011 4.322 4.320 -0.016 0.000 0.216 294 A C 1.120 178.723 177.584 0.032 0.000 1.152 294 A CA 0.183 52.323 52.037 0.172 0.000 0.708 294 A CB 0.062 19.268 19.000 0.344 0.000 0.805 294 A HN 0.144 nan 8.150 nan 0.000 0.460 295 L N 1.298 122.388 121.223 -0.222 0.000 2.301 295 L HA 0.473 4.803 4.340 -0.016 0.000 0.278 295 L C -2.799 173.858 176.870 -0.355 0.000 1.022 295 L CA -2.453 52.065 54.840 -0.537 0.000 0.854 295 L CB 1.121 42.673 42.059 -0.844 0.000 1.226 295 L HN -0.135 nan 8.230 nan 0.000 0.429 296 P HA 0.052 nan 4.420 nan 0.000 0.263 296 P C 0.155 177.263 177.300 -0.319 0.000 1.195 296 P CA -0.075 62.912 63.100 -0.188 0.000 0.762 296 P CB 0.578 32.242 31.700 -0.060 0.000 0.799 297 Q N 2.336 121.999 119.800 -0.229 0.000 2.197 297 Q HA -0.210 4.120 4.340 -0.016 0.000 0.207 297 Q C 1.317 177.119 176.000 -0.331 0.000 0.984 297 Q CA 1.736 57.387 55.803 -0.254 0.000 0.869 297 Q CB -0.320 28.321 28.738 -0.163 0.000 0.906 297 Q HN 0.540 nan 8.270 nan 0.000 0.426 298 E N 0.081 120.094 120.200 -0.311 0.000 2.267 298 E HA -0.122 4.218 4.350 -0.016 0.000 0.197 298 E C 1.738 177.981 176.600 -0.595 0.000 0.998 298 E CA 0.640 56.822 56.400 -0.364 0.000 0.830 298 E CB -0.157 29.431 29.700 -0.187 0.000 0.751 298 E HN 0.340 nan 8.360 nan 0.000 0.491 299 L N -0.365 120.429 121.223 -0.715 0.000 2.477 299 L HA 0.097 4.427 4.340 -0.016 0.000 0.220 299 L C 0.199 176.714 176.870 -0.592 0.000 1.106 299 L CA -0.159 54.198 54.840 -0.805 0.000 0.851 299 L CB 0.347 41.626 42.059 -1.301 0.000 0.994 299 L HN -0.094 nan 8.230 nan 0.000 0.462 300 V N 0.587 120.171 119.914 -0.550 0.000 2.461 300 V HA 0.150 4.260 4.120 -0.016 0.000 0.275 300 V C -0.342 175.583 176.094 -0.282 0.000 1.047 300 V CA -0.154 61.983 62.300 -0.273 0.000 0.955 300 V CB 0.729 32.414 31.823 -0.230 0.000 0.988 300 V HN -0.063 nan 8.190 nan 0.000 0.471 301 F N 3.308 123.273 119.950 0.024 0.000 2.436 301 F HA 0.473 4.990 4.527 -0.016 0.000 0.340 301 F C 0.650 176.487 175.800 0.061 0.000 1.113 301 F CA -0.606 57.418 58.000 0.041 0.000 1.022 301 F CB 1.331 40.376 39.000 0.074 0.000 1.128 301 F HN 0.395 nan 8.300 nan 0.000 0.466 302 N N 2.720 121.526 118.700 0.177 0.000 2.426 302 N HA 0.452 5.182 4.740 -0.016 0.000 0.275 302 N C -1.156 174.415 175.510 0.101 0.000 1.019 302 N CA -0.199 52.923 53.050 0.120 0.000 0.941 302 N CB 1.941 40.458 38.487 0.051 0.000 1.123 302 N HN 0.362 nan 8.380 nan 0.000 0.486 303 V N -0.517 119.428 119.914 0.051 0.000 2.540 303 V HA 0.427 4.538 4.120 -0.016 0.000 0.302 303 V C -0.140 175.768 176.094 -0.309 0.000 1.035 303 V CA -1.157 61.074 62.300 -0.115 0.000 0.873 303 V CB 1.941 33.681 31.823 -0.139 0.000 0.992 303 V HN 0.321 nan 8.190 nan 0.000 0.428 304 D N 3.503 123.750 120.400 -0.254 0.000 2.401 304 D HA 0.380 5.010 4.640 -0.016 0.000 0.254 304 D C -0.631 175.449 176.300 -0.366 0.000 1.192 304 D CA 0.938 54.816 54.000 -0.204 0.000 0.885 304 D CB 0.424 41.167 40.800 -0.096 0.000 1.147 304 D HN 0.639 nan 8.370 nan 0.000 0.478 305 Y N 0.443 120.752 120.300 0.015 0.000 2.659 305 Y HA 0.273 4.814 4.550 -0.016 0.000 0.333 305 Y C 1.370 177.268 175.900 -0.004 0.000 1.064 305 Y CA -0.985 57.115 58.100 0.001 0.000 1.141 305 Y CB 0.817 39.269 38.460 -0.014 0.000 1.316 305 Y HN 0.131 nan 8.280 nan 0.000 0.509 306 L N 0.573 121.896 121.223 0.167 0.000 2.141 306 L HA -0.045 4.286 4.340 -0.016 0.000 0.209 306 L C 1.786 178.696 176.870 0.066 0.000 1.094 306 L CA 1.510 56.399 54.840 0.081 0.000 0.763 306 L CB -0.311 41.776 42.059 0.047 0.000 0.908 306 L HN 0.939 nan 8.230 nan 0.000 0.437 307 G N -0.626 108.217 108.800 0.071 0.000 3.424 307 G HA2 0.427 4.377 3.960 -0.016 0.000 0.263 307 G HA3 0.427 4.377 3.960 -0.016 0.000 0.263 307 G C 0.625 175.558 174.900 0.055 0.000 1.310 307 G CA 0.421 45.544 45.100 0.038 0.000 1.089 307 G HN 0.513 nan 8.290 nan 0.000 0.534 308 G N -0.146 108.701 108.800 0.079 0.000 2.587 308 G HA2 -0.050 3.900 3.960 -0.016 0.000 0.212 308 G HA3 -0.050 3.900 3.960 -0.016 0.000 0.212 308 G C -0.256 174.730 174.900 0.144 0.000 1.327 308 G CA -0.199 44.949 45.100 0.081 0.000 0.898 308 G HN 1.061 nan 8.290 nan 0.000 0.551 309 Q N -0.736 119.141 119.800 0.129 0.000 2.306 309 Q HA 0.788 5.119 4.340 -0.016 0.000 0.265 309 Q C -0.500 175.631 176.000 0.217 0.000 1.022 309 Q CA -1.085 54.829 55.803 0.185 0.000 0.853 309 Q CB 2.228 31.014 28.738 0.081 0.000 1.327 309 Q HN 0.719 nan 8.270 nan 0.000 0.449 310 I N 1.092 121.880 120.570 0.364 0.000 2.530 310 I HA 0.481 4.641 4.170 -0.016 0.000 0.297 310 I C 0.280 176.531 176.117 0.223 0.000 1.011 310 I CA -1.222 60.219 61.300 0.236 0.000 1.107 310 I CB 2.080 40.150 38.000 0.116 0.000 1.285 310 I HN 0.847 nan 8.210 nan 0.000 0.436 311 G N 2.799 111.684 108.800 0.141 0.000 2.372 311 G HA2 0.539 4.490 3.960 -0.016 0.000 0.283 311 G HA3 0.539 4.490 3.960 -0.016 0.000 0.283 311 G C -0.298 174.714 174.900 0.186 0.000 1.177 311 G CA -0.185 44.998 45.100 0.139 0.000 0.842 311 G HN 0.632 nan 8.290 nan 0.000 0.503 312 T N -0.844 113.867 114.554 0.261 0.000 2.829 312 T HA 0.547 4.887 4.350 -0.016 0.000 0.280 312 T C -1.098 173.870 174.700 0.447 0.000 0.999 312 T CA -0.752 61.554 62.100 0.344 0.000 0.983 312 T CB 1.908 71.005 68.868 0.381 0.000 0.968 312 T HN 0.257 nan 8.240 nan 0.000 0.446 313 F N 2.833 122.923 119.950 0.234 0.000 2.366 313 F HA 0.726 5.244 4.527 -0.016 0.000 0.357 313 F C -0.421 175.537 175.800 0.264 0.000 1.107 313 F CA -1.873 56.251 58.000 0.206 0.000 1.208 313 F CB -0.214 38.831 39.000 0.074 0.000 1.464 313 F HN 1.011 nan 8.300 nan 0.000 0.501 314 A N 4.743 127.740 122.820 0.295 0.000 2.475 314 A HA 0.606 4.916 4.320 -0.016 0.000 0.301 314 A C 0.369 178.014 177.584 0.101 0.000 1.059 314 A CA -0.555 51.559 52.037 0.128 0.000 0.710 314 A CB 1.004 20.161 19.000 0.262 0.000 1.288 314 A HN 0.536 nan 8.150 nan 0.000 0.408 315 I N 0.699 121.279 120.570 0.017 0.000 2.333 315 I HA -0.091 4.069 4.170 -0.016 0.000 0.246 315 I C 0.785 176.953 176.117 0.085 0.000 1.106 315 I CA 0.600 61.938 61.300 0.063 0.000 1.411 315 I CB -0.035 38.001 38.000 0.061 0.000 1.082 315 I HN 0.589 nan 8.210 nan 0.000 0.420 316 N N 0.051 118.791 118.700 0.067 0.000 2.483 316 N HA 0.099 4.829 4.740 -0.016 0.000 0.269 316 N C 0.105 175.774 175.510 0.266 0.000 1.209 316 N CA -0.035 53.077 53.050 0.102 0.000 0.969 316 N CB 1.607 40.095 38.487 0.001 0.000 1.173 316 N HN -0.041 nan 8.380 nan 0.000 0.475 317 F N 0.430 120.433 119.950 0.088 0.000 2.276 317 F HA 0.274 4.792 4.527 -0.016 0.000 0.213 317 F C 0.848 176.771 175.800 0.205 0.000 1.098 317 F CA -0.133 57.960 58.000 0.155 0.000 1.162 317 F CB -0.505 38.549 39.000 0.090 0.000 1.511 317 F HN 0.206 nan 8.300 nan 0.000 0.540 318 S N 1.813 117.642 115.700 0.215 0.000 2.562 318 S HA 0.512 4.972 4.470 -0.016 0.000 0.281 318 S C -0.880 173.778 174.600 0.097 0.000 1.333 318 S CA -0.237 58.015 58.200 0.085 0.000 1.052 318 S CB 0.006 63.285 63.200 0.131 0.000 0.884 318 S HN 0.455 nan 8.310 nan 0.000 0.506 319 R N 1.115 121.662 120.500 0.078 0.000 2.824 319 R HA 0.339 4.670 4.340 -0.016 0.000 0.267 319 R C -3.599 172.713 176.300 0.019 0.000 1.035 319 R CA -1.638 54.475 56.100 0.021 0.000 0.887 319 R CB 0.247 30.516 30.300 -0.053 0.000 1.262 319 R HN 0.286 nan 8.270 nan 0.000 0.487 320 P HA 0.075 nan 4.420 nan 0.000 0.271 320 P C -0.103 177.180 177.300 -0.028 0.000 1.218 320 P CA -0.244 62.828 63.100 -0.047 0.000 0.780 320 P CB 1.393 33.056 31.700 -0.060 0.000 0.901 321 A N 2.749 125.558 122.820 -0.018 0.000 2.251 321 A HA 0.191 4.502 4.320 -0.016 0.000 0.209 321 A C 2.138 179.728 177.584 0.010 0.000 1.187 321 A CA 0.943 53.008 52.037 0.047 0.000 0.823 321 A CB -1.210 17.823 19.000 0.055 0.000 0.846 321 A HN 0.611 nan 8.150 nan 0.000 0.486 322 G N 0.224 109.006 108.800 -0.030 0.000 2.491 322 G HA2 -0.300 3.650 3.960 -0.016 0.000 0.218 322 G HA3 -0.300 3.650 3.960 -0.016 0.000 0.218 322 G C 1.428 176.322 174.900 -0.010 0.000 1.180 322 G CA 1.256 46.340 45.100 -0.027 0.000 0.774 322 G HN 0.549 nan 8.290 nan 0.000 0.562 323 Q N -0.167 119.614 119.800 -0.030 0.000 2.135 323 Q HA -0.041 4.289 4.340 -0.016 0.000 0.204 323 Q C 2.758 178.770 176.000 0.020 0.000 0.981 323 Q CA 1.304 57.093 55.803 -0.023 0.000 0.856 323 Q CB -0.462 28.238 28.738 -0.064 0.000 0.902 323 Q HN 0.366 nan 8.270 nan 0.000 0.425 324 V N 0.245 120.182 119.914 0.038 0.000 2.358 324 V HA -0.240 3.870 4.120 -0.016 0.000 0.246 324 V C 1.976 178.179 176.094 0.183 0.000 1.047 324 V CA 1.607 63.996 62.300 0.148 0.000 1.035 324 V CB -0.378 31.565 31.823 0.200 0.000 0.658 324 V HN 0.357 nan 8.190 nan 0.000 0.452 325 I N 0.276 120.932 120.570 0.144 0.000 2.252 325 I HA -0.212 3.949 4.170 -0.016 0.000 0.245 325 I C 2.612 178.847 176.117 0.196 0.000 1.102 325 I CA 1.457 62.865 61.300 0.181 0.000 1.385 325 I CB -0.537 37.531 38.000 0.112 0.000 1.064 325 I HN 0.271 nan 8.210 nan 0.000 0.414 326 A N 0.149 123.039 122.820 0.117 0.000 1.902 326 A HA -0.284 4.026 4.320 -0.016 0.000 0.217 326 A C 2.245 179.912 177.584 0.137 0.000 1.181 326 A CA 1.979 54.087 52.037 0.120 0.000 0.623 326 A CB -0.637 18.397 19.000 0.056 0.000 0.818 326 A HN 0.454 nan 8.150 nan 0.000 0.443 327 Q N -1.527 118.311 119.800 0.063 0.000 2.084 327 Q HA -0.215 4.115 4.340 -0.016 0.000 0.202 327 Q C 1.860 177.699 176.000 -0.268 0.000 0.978 327 Q CA 2.178 57.911 55.803 -0.117 0.000 0.844 327 Q CB -0.609 28.109 28.738 -0.033 0.000 0.898 327 Q HN 0.669 nan 8.270 nan 0.000 0.426 328 Y N -0.019 120.192 120.300 -0.150 0.000 2.128 328 Y HA -0.301 4.238 4.550 -0.017 0.000 0.284 328 Y C 2.061 178.008 175.900 0.078 0.000 1.154 328 Y CA 1.901 59.974 58.100 -0.045 0.000 1.149 328 Y CB -1.083 37.424 38.460 0.078 0.000 0.976 328 Y HN 0.374 nan 8.280 nan 0.000 0.505 329 Y N 1.499 121.744 120.300 -0.093 0.000 2.096 329 Y HA -0.331 4.212 4.550 -0.012 0.000 0.278 329 Y C 2.244 178.100 175.900 -0.072 0.000 1.192 329 Y CA 2.482 60.513 58.100 -0.116 0.000 1.143 329 Y CB -0.569 37.876 38.460 -0.025 0.000 0.963 329 Y HN 0.199 nan 8.280 nan 0.000 0.505 330 E N -0.212 119.888 120.200 -0.166 0.000 2.038 330 E HA -0.198 4.142 4.350 -0.016 0.000 0.195 330 E C 2.176 178.810 176.600 0.056 0.000 1.000 330 E CA 1.476 57.764 56.400 -0.186 0.000 0.803 330 E CB -0.823 28.860 29.700 -0.028 0.000 0.750 330 E HN 0.459 nan 8.360 nan 0.000 0.448 331 F N 0.999 120.969 119.950 0.033 0.000 2.069 331 F HA -0.142 4.376 4.527 -0.015 0.000 0.298 331 F C 2.553 178.326 175.800 -0.045 0.000 1.113 331 F CA 0.579 58.632 58.000 0.088 0.000 1.214 331 F CB -1.223 37.812 39.000 0.058 0.000 0.978 331 F HN 0.006 nan 8.300 nan 0.000 0.474 332 L N 0.212 121.436 121.223 0.001 0.000 2.017 332 L HA -0.231 4.099 4.340 -0.016 0.000 0.208 332 L C 2.748 179.548 176.870 -0.117 0.000 1.073 332 L CA 1.810 56.572 54.840 -0.130 0.000 0.745 332 L CB -0.418 41.441 42.059 -0.333 0.000 0.894 332 L HN 0.186 nan 8.230 nan 0.000 0.432 333 R N -0.384 119.985 120.500 -0.217 0.000 2.115 333 R HA -0.110 4.221 4.340 -0.016 0.000 0.226 333 R C 1.971 178.173 176.300 -0.163 0.000 1.100 333 R CA 1.059 57.023 56.100 -0.228 0.000 0.980 333 R CB -0.331 29.707 30.300 -0.438 0.000 0.875 333 R HN 0.315 nan 8.270 nan 0.000 0.445 334 L N 0.512 121.648 121.223 -0.145 0.000 2.200 334 L HA 0.239 4.569 4.340 -0.016 0.000 0.200 334 L C 1.168 178.029 176.870 -0.014 0.000 1.072 334 L CA 0.684 55.444 54.840 -0.133 0.000 0.787 334 L CB -0.598 41.256 42.059 -0.342 0.000 0.957 334 L HN 0.575 nan 8.230 nan 0.000 0.459 335 G N 0.045 108.896 108.800 0.086 0.000 2.894 335 G HA2 -0.315 3.635 3.960 -0.016 0.000 0.247 335 G HA3 -0.315 3.635 3.960 -0.016 0.000 0.247 335 G C 0.442 175.420 174.900 0.129 0.000 1.442 335 G CA 0.239 45.395 45.100 0.094 0.000 0.897 335 G HN 0.226 nan 8.290 nan 0.000 0.550 336 R N -0.070 120.514 120.500 0.139 0.000 2.096 336 R HA -0.133 4.197 4.340 -0.016 0.000 0.240 336 R C 2.557 178.934 176.300 0.129 0.000 1.139 336 R CA 1.991 58.229 56.100 0.230 0.000 0.952 336 R CB -0.375 30.068 30.300 0.239 0.000 0.854 336 R HN 0.755 nan 8.270 nan 0.000 0.436 337 E N -0.293 119.957 120.200 0.083 0.000 2.070 337 E HA -0.195 4.145 4.350 -0.016 0.000 0.197 337 E C 2.030 178.628 176.600 -0.003 0.000 1.004 337 E CA 1.563 57.990 56.400 0.045 0.000 0.805 337 E CB -0.193 29.525 29.700 0.030 0.000 0.744 337 E HN 0.482 nan 8.360 nan 0.000 0.451 338 G N -0.599 108.177 108.800 -0.040 0.000 2.404 338 G HA2 -0.254 3.696 3.960 -0.016 0.000 0.215 338 G HA3 -0.254 3.696 3.960 -0.016 0.000 0.215 338 G C 1.222 176.002 174.900 -0.201 0.000 1.174 338 G CA 0.815 45.843 45.100 -0.120 0.000 0.780 338 G HN 0.280 nan 8.290 nan 0.000 0.537 339 Y N 1.403 121.498 120.300 -0.342 0.000 2.081 339 Y HA -0.191 4.350 4.550 -0.016 0.000 0.280 339 Y C 3.435 179.129 175.900 -0.344 0.000 1.163 339 Y CA 2.013 59.771 58.100 -0.570 0.000 1.135 339 Y CB -0.720 36.810 38.460 -1.549 0.000 0.970 339 Y HN 0.146 nan 8.280 nan 0.000 0.498 340 T N -0.087 114.431 114.554 -0.061 0.000 2.680 340 T HA -0.297 4.043 4.350 -0.016 0.000 0.268 340 T C 1.800 176.548 174.700 0.080 0.000 1.033 340 T CA 2.080 64.261 62.100 0.134 0.000 1.152 340 T CB -0.297 68.672 68.868 0.169 0.000 0.859 340 T HN 0.253 nan 8.240 nan 0.000 0.452 341 K N 0.155 120.561 120.400 0.011 0.000 2.001 341 K HA -0.018 4.292 4.320 -0.016 0.000 0.208 341 K C 2.363 178.957 176.600 -0.010 0.000 1.048 341 K CA 0.916 57.202 56.287 -0.002 0.000 0.932 341 K CB -0.438 32.043 32.500 -0.031 0.000 0.715 341 K HN 0.109 nan 8.250 nan 0.000 0.437 342 V N 1.663 121.540 119.914 -0.062 0.000 2.255 342 V HA -0.286 3.824 4.120 -0.016 0.000 0.247 342 V C 2.355 178.462 176.094 0.022 0.000 1.051 342 V CA 1.659 63.913 62.300 -0.077 0.000 1.018 342 V CB -0.521 31.192 31.823 -0.184 0.000 0.641 342 V HN 0.358 nan 8.190 nan 0.000 0.445 343 Q N 0.100 119.960 119.800 0.100 0.000 2.061 343 Q HA -0.227 4.104 4.340 -0.016 0.000 0.204 343 Q C 2.069 178.219 176.000 0.250 0.000 0.984 343 Q CA 1.957 57.883 55.803 0.204 0.000 0.846 343 Q CB -0.932 28.013 28.738 0.345 0.000 0.902 343 Q HN 0.739 nan 8.270 nan 0.000 0.421 344 N N 0.551 119.386 118.700 0.224 0.000 2.094 344 N HA -0.181 4.549 4.740 -0.016 0.000 0.191 344 N C 1.724 177.325 175.510 0.150 0.000 1.023 344 N CA 1.391 54.567 53.050 0.210 0.000 0.857 344 N CB -0.128 38.428 38.487 0.114 0.000 1.013 344 N HN 0.323 nan 8.380 nan 0.000 0.426 345 A N 0.063 122.926 122.820 0.071 0.000 1.917 345 A HA -0.180 4.130 4.320 -0.016 0.000 0.219 345 A C 2.312 179.912 177.584 0.026 0.000 1.182 345 A CA 1.873 53.923 52.037 0.020 0.000 0.633 345 A CB -0.718 18.264 19.000 -0.030 0.000 0.819 345 A HN 0.261 nan 8.150 nan 0.000 0.448 346 S N -1.638 114.079 115.700 0.028 0.000 2.368 346 S HA -0.097 4.363 4.470 -0.016 0.000 0.224 346 S C 1.815 176.391 174.600 -0.041 0.000 1.029 346 S CA 1.323 59.517 58.200 -0.009 0.000 0.988 346 S CB -0.537 62.657 63.200 -0.011 0.000 0.838 346 S HN 0.646 nan 8.310 nan 0.000 0.462 347 Y N 2.310 122.621 120.300 0.018 0.000 2.207 347 Y HA -0.158 4.383 4.550 -0.016 0.000 0.287 347 Y C 2.620 178.523 175.900 0.006 0.000 1.156 347 Y CA 1.093 59.191 58.100 -0.004 0.000 1.182 347 Y CB -0.559 37.891 38.460 -0.017 0.000 0.979 347 Y HN 0.324 nan 8.280 nan 0.000 0.521 348 Q N -0.701 119.193 119.800 0.157 0.000 2.084 348 Q HA -0.171 4.159 4.340 -0.016 0.000 0.202 348 Q C 2.360 178.405 176.000 0.075 0.000 0.978 348 Q CA 1.982 57.836 55.803 0.085 0.000 0.844 348 Q CB -0.397 28.362 28.738 0.034 0.000 0.898 348 Q HN 0.326 nan 8.270 nan 0.000 0.426 349 V N 0.914 120.859 119.914 0.051 0.000 2.295 349 V HA -0.298 3.812 4.120 -0.016 0.000 0.246 349 V C 2.263 178.429 176.094 0.121 0.000 1.049 349 V CA 1.877 64.210 62.300 0.055 0.000 1.024 349 V CB -1.063 30.756 31.823 -0.008 0.000 0.648 349 V HN 0.415 nan 8.190 nan 0.000 0.447 350 A N 0.017 122.898 122.820 0.102 0.000 1.902 350 A HA -0.097 4.213 4.320 -0.016 0.000 0.217 350 A C 2.418 180.039 177.584 0.062 0.000 1.181 350 A CA 2.090 54.179 52.037 0.087 0.000 0.623 350 A CB -0.794 18.237 19.000 0.051 0.000 0.818 350 A HN 0.577 nan 8.150 nan 0.000 0.443 351 A N -1.623 121.243 122.820 0.078 0.000 1.933 351 A HA -0.087 4.223 4.320 -0.016 0.000 0.218 351 A C 2.146 179.748 177.584 0.029 0.000 1.175 351 A CA 1.661 53.719 52.037 0.035 0.000 0.628 351 A CB -0.719 18.312 19.000 0.051 0.000 0.814 351 A HN 0.778 nan 8.150 nan 0.000 0.444 352 Y N 0.206 120.475 120.300 -0.051 0.000 2.263 352 Y HA -0.017 4.523 4.550 -0.016 0.000 0.292 352 Y C 1.890 177.739 175.900 -0.084 0.000 1.130 352 Y CA 1.291 59.350 58.100 -0.069 0.000 1.179 352 Y CB -0.233 38.190 38.460 -0.061 0.000 0.998 352 Y HN 0.182 nan 8.280 nan 0.000 0.532 353 L N -0.084 121.077 121.223 -0.104 0.000 2.012 353 L HA -0.260 4.071 4.340 -0.016 0.000 0.210 353 L C 2.757 179.470 176.870 -0.261 0.000 1.073 353 L CA 1.447 56.166 54.840 -0.203 0.000 0.748 353 L CB -1.023 41.028 42.059 -0.013 0.000 0.891 353 L HN 0.395 nan 8.230 nan 0.000 0.431 354 A N -0.471 122.227 122.820 -0.203 0.000 1.933 354 A HA -0.234 4.077 4.320 -0.016 0.000 0.218 354 A C 1.825 179.139 177.584 -0.451 0.000 1.175 354 A CA 2.039 53.877 52.037 -0.331 0.000 0.628 354 A CB -0.462 18.332 19.000 -0.344 0.000 0.814 354 A HN 0.357 nan 8.150 nan 0.000 0.444 355 D N -0.764 119.427 120.400 -0.348 0.000 2.234 355 D HA -0.038 4.592 4.640 -0.016 0.000 0.205 355 D C 1.939 178.060 176.300 -0.299 0.000 0.962 355 D CA 0.712 54.531 54.000 -0.301 0.000 0.855 355 D CB -0.009 40.669 40.800 -0.203 0.000 0.951 355 D HN 0.378 nan 8.370 nan 0.000 0.500 356 E N 0.012 119.970 120.200 -0.403 0.000 2.086 356 E HA 0.057 4.397 4.350 -0.016 0.000 0.190 356 E C 2.324 178.738 176.600 -0.309 0.000 0.975 356 E CA 0.155 56.312 56.400 -0.406 0.000 0.813 356 E CB 0.035 29.346 29.700 -0.649 0.000 0.768 356 E HN 0.335 nan 8.360 nan 0.000 0.457 357 I N 1.316 121.682 120.570 -0.340 0.000 2.394 357 I HA -0.201 3.959 4.170 -0.016 0.000 0.251 357 I C 2.358 178.445 176.117 -0.049 0.000 1.136 357 I CA 0.806 61.885 61.300 -0.368 0.000 1.425 357 I CB -0.206 37.468 38.000 -0.544 0.000 1.079 357 I HN -0.025 nan 8.210 nan 0.000 0.425 358 A N 0.881 123.724 122.820 0.038 0.000 1.978 358 A HA -0.236 4.074 4.320 -0.016 0.000 0.220 358 A C 2.154 179.803 177.584 0.108 0.000 1.170 358 A CA 1.622 53.791 52.037 0.221 0.000 0.636 358 A CB -0.441 18.563 19.000 0.006 0.000 0.810 358 A HN 0.373 nan 8.150 nan 0.000 0.448 359 K N -0.630 119.771 120.400 0.002 0.000 2.525 359 K HA 0.216 4.526 4.320 -0.016 0.000 0.192 359 K C 0.956 177.556 176.600 0.000 0.000 1.029 359 K CA 0.416 56.692 56.287 -0.018 0.000 1.029 359 K CB -0.050 32.418 32.500 -0.052 0.000 0.814 359 K HN 0.482 nan 8.250 nan 0.000 0.503 360 L N -0.927 120.330 121.223 0.057 0.000 2.638 360 L HA 0.242 4.572 4.340 -0.016 0.000 0.232 360 L C 0.920 177.847 176.870 0.094 0.000 1.099 360 L CA -0.342 54.560 54.840 0.103 0.000 0.883 360 L CB 0.810 42.939 42.059 0.117 0.000 1.136 360 L HN 0.144 nan 8.230 nan 0.000 0.492 361 G N -0.381 108.305 108.800 -0.190 0.000 2.548 361 G HA2 0.330 4.280 3.960 -0.016 0.000 0.301 361 G HA3 0.330 4.280 3.960 -0.016 0.000 0.301 361 G C -2.952 171.378 174.900 -0.950 0.000 1.349 361 G CA -0.428 44.297 45.100 -0.625 0.000 0.792 361 G HN -0.329 nan 8.290 nan 0.000 0.481 362 P HA 0.337 nan 4.420 nan 0.000 0.247 362 P C -1.509 175.561 177.300 -0.384 0.000 1.756 362 P CA -0.086 62.753 63.100 -0.435 0.000 1.117 362 P CB -0.457 31.088 31.700 -0.258 0.000 1.869 363 Y N -0.496 119.798 120.300 -0.009 0.000 2.409 363 Y HA 0.464 5.005 4.550 -0.016 0.000 0.339 363 Y C 0.883 176.728 175.900 -0.092 0.000 1.033 363 Y CA -1.359 56.687 58.100 -0.089 0.000 1.094 363 Y CB 1.792 40.068 38.460 -0.306 0.000 1.210 363 Y HN 0.219 nan 8.280 nan 0.000 0.456 364 E N 2.642 122.883 120.200 0.068 0.000 2.175 364 E HA 0.379 4.719 4.350 -0.016 0.000 0.278 364 E C -1.715 174.890 176.600 0.008 0.000 0.969 364 E CA -0.636 55.816 56.400 0.086 0.000 0.796 364 E CB 0.778 30.517 29.700 0.066 0.000 1.104 364 E HN 0.531 nan 8.360 nan 0.000 0.395 365 F N 4.508 124.542 119.950 0.141 0.000 2.405 365 F HA 0.269 4.786 4.527 -0.017 0.000 0.355 365 F C 1.133 177.004 175.800 0.120 0.000 1.121 365 F CA -0.329 57.757 58.000 0.144 0.000 1.112 365 F CB 0.827 39.878 39.000 0.084 0.000 1.126 365 F HN 0.546 nan 8.300 nan 0.000 0.481 366 I N 1.460 122.182 120.570 0.255 0.000 2.584 366 I HA -0.073 4.087 4.170 -0.016 0.000 0.255 366 I C 0.529 176.791 176.117 0.241 0.000 1.145 366 I CA 0.924 62.354 61.300 0.218 0.000 1.462 366 I CB 0.247 38.341 38.000 0.156 0.000 1.102 366 I HN 0.494 nan 8.210 nan 0.000 0.433 367 C N 0.594 120.047 119.300 0.255 0.000 2.607 367 C HA 0.395 4.846 4.460 -0.016 0.000 0.350 367 C C 0.945 176.045 174.990 0.183 0.000 1.101 367 C CA -0.369 58.754 59.018 0.174 0.000 1.282 367 C CB 0.488 28.302 27.740 0.122 0.000 1.825 367 C HN 0.468 nan 8.230 nan 0.000 0.460 368 T N 0.699 115.302 114.554 0.082 0.000 3.215 368 T HA 0.412 4.752 4.350 -0.016 0.000 0.271 368 T C 1.071 175.767 174.700 -0.008 0.000 1.012 368 T CA 0.674 62.766 62.100 -0.014 0.000 0.899 368 T CB -0.118 68.660 68.868 -0.149 0.000 1.089 368 T HN 2.283 nan 8.240 nan 0.000 0.552 369 G N 2.343 111.162 108.800 0.031 0.000 2.333 369 G HA2 -0.207 3.743 3.960 -0.016 0.000 0.296 369 G HA3 -0.207 3.743 3.960 -0.016 0.000 0.296 369 G C -0.304 174.687 174.900 0.152 0.000 1.059 369 G CA -0.642 44.506 45.100 0.079 0.000 1.050 369 G HN 0.553 nan 8.290 nan 0.000 0.508 370 R N -0.333 120.203 120.500 0.059 0.000 2.445 370 R HA 0.485 4.815 4.340 -0.016 0.000 0.308 370 R C -1.418 174.785 176.300 -0.161 0.000 0.961 370 R CA -2.824 53.256 56.100 -0.034 0.000 0.862 370 R CB 1.351 31.627 30.300 -0.039 0.000 1.144 370 R HN 0.056 nan 8.270 nan 0.000 0.447 371 P HA -0.125 nan 4.420 nan 0.000 0.221 371 P C 0.335 177.519 177.300 -0.193 0.000 1.145 371 P CA 1.142 63.810 63.100 -0.720 0.000 0.795 371 P CB 0.305 31.543 31.700 -0.770 0.000 0.775 372 D N -1.128 119.235 120.400 -0.062 0.000 2.339 372 D HA -0.031 4.599 4.640 -0.016 0.000 0.217 372 D C 1.143 177.611 176.300 0.279 0.000 1.050 372 D CA 0.387 54.458 54.000 0.119 0.000 0.856 372 D CB -0.118 40.721 40.800 0.066 0.000 0.922 372 D HN 0.234 nan 8.370 nan 0.000 0.518 373 E N -0.341 119.914 120.200 0.093 0.000 2.474 373 E HA 0.354 4.694 4.350 -0.016 0.000 0.215 373 E C 0.871 177.166 176.600 -0.510 0.000 0.867 373 E CA 0.191 56.612 56.400 0.035 0.000 1.135 373 E CB 1.583 31.283 29.700 -0.000 0.000 1.147 373 E HN 0.315 nan 8.360 nan 0.000 0.534 374 G N 1.329 109.546 108.800 -0.972 0.000 2.452 374 G HA2 0.186 4.136 3.960 -0.016 0.000 0.224 374 G HA3 0.186 4.136 3.960 -0.016 0.000 0.224 374 G C -1.227 173.099 174.900 -0.957 0.000 1.208 374 G CA -0.517 43.553 45.100 -1.716 0.000 0.946 374 G HN 0.095 nan 8.290 nan 0.000 0.481 375 I N -1.179 119.030 120.570 -0.601 0.000 3.062 375 I HA 0.712 4.872 4.170 -0.016 0.000 0.318 375 I C -2.405 173.487 176.117 -0.375 0.000 1.026 375 I CA -2.661 58.383 61.300 -0.426 0.000 1.096 375 I CB 2.010 39.812 38.000 -0.330 0.000 1.348 375 I HN 0.134 nan 8.210 nan 0.000 0.543 376 P HA 0.287 nan 4.420 nan 0.000 0.256 376 P C -1.109 176.089 177.300 -0.170 0.000 1.688 376 P CA 0.103 62.899 63.100 -0.507 0.000 1.162 376 P CB 0.008 31.323 31.700 -0.642 0.000 1.870 377 A N 2.182 124.946 122.820 -0.093 0.000 2.449 377 A HA 0.642 4.952 4.320 -0.016 0.000 0.302 377 A C -0.989 176.620 177.584 0.041 0.000 1.048 377 A CA -0.648 51.370 52.037 -0.032 0.000 0.708 377 A CB 1.589 20.559 19.000 -0.049 0.000 1.274 377 A HN 0.120 nan 8.150 nan 0.000 0.410 378 V N 0.727 120.696 119.914 0.091 0.000 2.417 378 V HA 0.569 4.679 4.120 -0.016 0.000 0.291 378 V C -0.474 175.769 176.094 0.248 0.000 1.024 378 V CA -0.489 61.931 62.300 0.200 0.000 0.861 378 V CB 1.075 33.029 31.823 0.218 0.000 0.985 378 V HN 1.047 nan 8.190 nan 0.000 0.436 379 C N 7.776 127.261 119.300 0.308 0.000 2.481 379 C HA 0.910 5.361 4.460 -0.016 0.000 0.324 379 C C -0.911 174.206 174.990 0.212 0.000 1.170 379 C CA -0.714 58.400 59.018 0.160 0.000 1.361 379 C CB 0.131 27.938 27.740 0.112 0.000 1.977 379 C HN 0.853 nan 8.230 nan 0.000 0.459 380 F N 3.825 123.636 119.950 -0.232 0.000 2.685 380 F HA 0.844 5.361 4.527 -0.017 0.000 0.315 380 F C -0.982 174.625 175.800 -0.321 0.000 1.126 380 F CA -1.034 56.718 58.000 -0.414 0.000 0.950 380 F CB 1.060 39.457 39.000 -1.004 0.000 1.360 380 F HN 0.638 nan 8.300 nan 0.000 0.469 381 K N 1.140 121.452 120.400 -0.147 0.000 2.444 381 K HA 0.708 5.018 4.320 -0.016 0.000 0.252 381 K C -1.507 175.124 176.600 0.051 0.000 0.993 381 K CA -1.004 55.191 56.287 -0.153 0.000 0.847 381 K CB 2.348 34.773 32.500 -0.126 0.000 1.340 381 K HN 0.832 nan 8.250 nan 0.000 0.446 382 L N 2.126 123.379 121.223 0.050 0.000 2.490 382 L HA 0.131 4.461 4.340 -0.016 0.000 0.274 382 L C 0.433 177.317 176.870 0.025 0.000 1.201 382 L CA -0.217 54.677 54.840 0.090 0.000 0.869 382 L CB 0.198 42.261 42.059 0.007 0.000 1.123 382 L HN 0.582 nan 8.230 nan 0.000 0.484 383 K N 2.031 122.439 120.400 0.012 0.000 2.485 383 K HA -0.013 4.297 4.320 -0.016 0.000 0.277 383 K C -0.483 176.104 176.600 -0.023 0.000 0.990 383 K CA -0.342 55.940 56.287 -0.008 0.000 0.994 383 K CB 0.270 32.757 32.500 -0.022 0.000 0.906 383 K HN 0.435 nan 8.250 nan 0.000 0.488 384 D N 1.131 121.520 120.400 -0.018 0.000 2.425 384 D HA 0.042 4.672 4.640 -0.016 0.000 0.247 384 D C 1.094 177.379 176.300 -0.026 0.000 1.147 384 D CA 0.864 54.851 54.000 -0.022 0.000 0.879 384 D CB 0.884 41.674 40.800 -0.016 0.000 1.179 384 D HN 0.771 nan 8.370 nan 0.000 0.456 385 G N 2.242 111.024 108.800 -0.030 0.000 2.203 385 G HA2 -0.326 3.625 3.960 -0.016 0.000 0.263 385 G HA3 -0.326 3.625 3.960 -0.016 0.000 0.263 385 G C 0.311 175.186 174.900 -0.042 0.000 1.012 385 G CA 0.570 45.651 45.100 -0.031 0.000 0.749 385 G HN 0.522 nan 8.290 nan 0.000 0.512 386 E N 0.138 120.305 120.200 -0.055 0.000 2.204 386 E HA 0.535 4.875 4.350 -0.016 0.000 0.276 386 E C -0.854 175.686 176.600 -0.100 0.000 0.974 386 E CA -0.749 55.605 56.400 -0.077 0.000 0.815 386 E CB 0.931 30.575 29.700 -0.092 0.000 1.119 386 E HN 0.070 nan 8.360 nan 0.000 0.393 387 D N 4.836 125.173 120.400 -0.105 0.000 2.438 387 D HA 0.206 4.836 4.640 -0.016 0.000 0.257 387 D C -1.831 174.372 176.300 -0.160 0.000 1.148 387 D CA -1.664 52.260 54.000 -0.127 0.000 0.902 387 D CB 1.252 42.006 40.800 -0.078 0.000 1.062 387 D HN 0.325 nan 8.370 nan 0.000 0.518 388 P HA 0.202 nan 4.420 nan 0.000 0.241 388 P C 0.758 177.949 177.300 -0.181 0.000 1.191 388 P CA 0.381 63.318 63.100 -0.272 0.000 0.771 388 P CB 0.600 32.027 31.700 -0.454 0.000 0.929 389 G N -0.891 107.792 108.800 -0.195 0.000 2.148 389 G HA2 -0.071 3.879 3.960 -0.016 0.000 0.157 389 G HA3 -0.071 3.879 3.960 -0.016 0.000 0.157 389 G C -0.319 174.671 174.900 0.150 0.000 1.012 389 G CA -0.225 44.886 45.100 0.019 0.000 0.677 389 G HN 0.520 nan 8.290 nan 0.000 0.506 390 Y N -2.043 118.291 120.300 0.056 0.000 2.732 390 Y HA 0.704 5.244 4.550 -0.016 0.000 0.342 390 Y C -0.225 175.713 175.900 0.064 0.000 1.203 390 Y CA -0.821 57.319 58.100 0.066 0.000 1.092 390 Y CB 0.237 38.742 38.460 0.075 0.000 1.345 390 Y HN 0.789 nan 8.280 nan 0.000 0.458 391 T N -0.865 113.859 114.554 0.282 0.000 2.936 391 T HA 0.487 4.827 4.350 -0.016 0.000 0.282 391 T C 0.622 175.484 174.700 0.269 0.000 1.003 391 T CA -0.888 61.329 62.100 0.194 0.000 1.005 391 T CB 1.185 70.163 68.868 0.183 0.000 1.097 391 T HN 0.850 nan 8.240 nan 0.000 0.532 392 L N -0.205 121.053 121.223 0.059 0.000 2.265 392 L HA -0.024 4.306 4.340 -0.016 0.000 0.215 392 L C 2.238 179.030 176.870 -0.130 0.000 1.117 392 L CA 1.068 55.860 54.840 -0.080 0.000 0.782 392 L CB -0.766 41.110 42.059 -0.305 0.000 0.914 392 L HN 0.681 nan 8.230 nan 0.000 0.441 393 Y N 0.486 120.784 120.300 -0.004 0.000 2.145 393 Y HA -0.261 4.279 4.550 -0.017 0.000 0.286 393 Y C 2.527 178.429 175.900 0.003 0.000 1.145 393 Y CA 1.298 59.395 58.100 -0.005 0.000 1.148 393 Y CB -0.503 37.963 38.460 0.009 0.000 0.981 393 Y HN 0.247 nan 8.280 nan 0.000 0.507 394 D N -0.339 120.179 120.400 0.197 0.000 2.144 394 D HA -0.144 4.486 4.640 -0.016 0.000 0.200 394 D C 2.194 178.506 176.300 0.020 0.000 0.978 394 D CA 1.061 55.132 54.000 0.118 0.000 0.833 394 D CB -0.439 40.457 40.800 0.160 0.000 0.961 394 D HN 0.281 nan 8.370 nan 0.000 0.470 395 L N 0.708 121.913 121.223 -0.030 0.000 2.072 395 L HA -0.067 4.263 4.340 -0.016 0.000 0.205 395 L C 2.306 179.078 176.870 -0.163 0.000 1.079 395 L CA 1.317 56.040 54.840 -0.195 0.000 0.752 395 L CB -0.618 41.264 42.059 -0.295 0.000 0.906 395 L HN -0.158 nan 8.230 nan 0.000 0.436 396 S N -0.793 114.850 115.700 -0.095 0.000 2.387 396 S HA -0.287 4.173 4.470 -0.016 0.000 0.230 396 S C 2.053 176.648 174.600 -0.009 0.000 1.035 396 S CA 1.804 59.975 58.200 -0.050 0.000 1.014 396 S CB -0.321 62.874 63.200 -0.008 0.000 0.836 396 S HN 0.663 nan 8.310 nan 0.000 0.466 397 E N -0.156 120.046 120.200 0.003 0.000 2.072 397 E HA -0.086 4.254 4.350 -0.016 0.000 0.190 397 E C 2.310 178.892 176.600 -0.030 0.000 0.982 397 E CA 0.534 56.937 56.400 0.005 0.000 0.803 397 E CB -0.006 29.703 29.700 0.016 0.000 0.755 397 E HN 0.257 nan 8.360 nan 0.000 0.453 398 R N 0.426 120.888 120.500 -0.062 0.000 2.120 398 R HA -0.097 4.233 4.340 -0.016 0.000 0.234 398 R C 2.451 178.716 176.300 -0.059 0.000 1.123 398 R CA 0.682 56.720 56.100 -0.104 0.000 0.975 398 R CB -0.702 29.522 30.300 -0.127 0.000 0.866 398 R HN 0.338 nan 8.270 nan 0.000 0.446 399 L N 0.002 121.204 121.223 -0.033 0.000 2.093 399 L HA -0.103 4.228 4.340 -0.016 0.000 0.208 399 L C 2.716 179.674 176.870 0.148 0.000 1.085 399 L CA 1.127 56.007 54.840 0.067 0.000 0.755 399 L CB -0.335 41.732 42.059 0.014 0.000 0.904 399 L HN 0.129 nan 8.230 nan 0.000 0.435 400 R N 0.007 120.554 120.500 0.079 0.000 2.105 400 R HA -0.165 4.165 4.340 -0.016 0.000 0.239 400 R C 2.224 178.537 176.300 0.023 0.000 1.135 400 R CA 1.229 57.367 56.100 0.063 0.000 0.967 400 R CB -0.247 30.076 30.300 0.038 0.000 0.861 400 R HN 0.333 nan 8.270 nan 0.000 0.442 401 L N -0.424 120.796 121.223 -0.005 0.000 2.275 401 L HA -0.108 4.222 4.340 -0.016 0.000 0.215 401 L C 1.831 178.683 176.870 -0.029 0.000 1.119 401 L CA 1.105 55.921 54.840 -0.041 0.000 0.790 401 L CB -0.039 41.962 42.059 -0.096 0.000 0.919 401 L HN 0.059 nan 8.230 nan 0.000 0.443 402 R N -0.744 119.770 120.500 0.024 0.000 2.359 402 R HA 0.175 4.505 4.340 -0.016 0.000 0.231 402 R C 1.146 177.391 176.300 -0.091 0.000 0.913 402 R CA 0.567 56.690 56.100 0.038 0.000 1.075 402 R CB 0.579 30.981 30.300 0.170 0.000 1.087 402 R HN 0.345 nan 8.270 nan 0.000 0.515 403 G N -0.394 108.336 108.800 -0.116 0.000 2.201 403 G HA2 -0.217 3.733 3.960 -0.016 0.000 0.212 403 G HA3 -0.217 3.733 3.960 -0.016 0.000 0.212 403 G C -0.387 174.360 174.900 -0.255 0.000 0.994 403 G CA -0.604 44.346 45.100 -0.251 0.000 0.644 403 G HN 0.218 nan 8.290 nan 0.000 0.508 404 W N 0.720 122.030 121.300 0.017 0.000 2.376 404 W HA 0.692 5.344 4.660 -0.015 0.000 0.322 404 W C 0.448 176.966 176.519 -0.003 0.000 1.160 404 W CA -0.800 56.553 57.345 0.014 0.000 1.218 404 W CB 1.255 30.731 29.460 0.026 0.000 1.205 404 W HN 0.134 nan 8.180 nan 0.000 0.559 405 Q N 2.602 122.563 119.800 0.267 0.000 2.425 405 Q HA 0.468 4.799 4.340 -0.016 0.000 0.254 405 Q C -1.724 174.350 176.000 0.123 0.000 1.032 405 Q CA -0.329 55.567 55.803 0.154 0.000 0.798 405 Q CB 1.031 29.835 28.738 0.111 0.000 1.210 405 Q HN 0.367 nan 8.270 nan 0.000 0.491 406 V N 7.733 127.699 119.914 0.087 0.000 2.349 406 V HA 0.530 4.640 4.120 -0.016 0.000 0.284 406 V C -2.174 173.924 176.094 0.007 0.000 1.014 406 V CA -1.602 60.711 62.300 0.022 0.000 0.826 406 V CB 1.491 33.304 31.823 -0.018 0.000 1.009 406 V HN 0.762 nan 8.190 nan 0.000 0.431 407 P HA 0.520 nan 4.420 nan 0.000 0.277 407 P C -0.881 176.352 177.300 -0.113 0.000 1.240 407 P CA -0.327 62.822 63.100 0.082 0.000 0.798 407 P CB 1.820 33.681 31.700 0.267 0.000 0.979 408 A N 2.968 125.712 122.820 -0.128 0.000 2.356 408 A HA 0.832 5.142 4.320 -0.016 0.000 0.310 408 A C -0.942 176.509 177.584 -0.222 0.000 1.075 408 A CA -0.468 51.304 52.037 -0.443 0.000 0.746 408 A CB 0.590 19.280 19.000 -0.517 0.000 1.221 408 A HN 0.521 nan 8.150 nan 0.000 0.443 409 F N -0.718 119.119 119.950 -0.188 0.000 2.711 409 F HA 0.801 5.318 4.527 -0.017 0.000 0.313 409 F C -0.050 175.712 175.800 -0.064 0.000 1.141 409 F CA -0.737 57.238 58.000 -0.043 0.000 0.941 409 F CB 0.926 39.920 39.000 -0.010 0.000 1.349 409 F HN 0.470 nan 8.300 nan 0.000 0.464 410 T N 0.414 115.152 114.554 0.307 0.000 2.907 410 T HA 0.706 5.046 4.350 -0.016 0.000 0.284 410 T C -0.144 174.696 174.700 0.233 0.000 1.004 410 T CA -0.759 61.441 62.100 0.167 0.000 1.063 410 T CB 1.386 70.342 68.868 0.147 0.000 0.992 410 T HN 0.718 nan 8.240 nan 0.000 0.483 411 L N 1.297 122.580 121.223 0.099 0.000 2.479 411 L HA 0.565 4.895 4.340 -0.016 0.000 0.248 411 L C 1.508 178.340 176.870 -0.065 0.000 1.205 411 L CA -0.679 54.168 54.840 0.012 0.000 0.817 411 L CB 0.165 42.176 42.059 -0.079 0.000 1.162 411 L HN 0.959 nan 8.230 nan 0.000 0.486 412 G N -1.146 107.523 108.800 -0.218 0.000 2.509 412 G HA2 0.471 4.421 3.960 -0.016 0.000 0.269 412 G HA3 0.471 4.421 3.960 -0.016 0.000 0.269 412 G C 0.487 175.318 174.900 -0.115 0.000 1.416 412 G CA -0.005 45.001 45.100 -0.157 0.000 1.052 412 G HN 0.971 nan 8.290 nan 0.000 0.542 413 G N -0.241 108.515 108.800 -0.074 0.000 2.684 413 G HA2 -0.353 3.597 3.960 -0.016 0.000 0.332 413 G HA3 -0.353 3.597 3.960 -0.016 0.000 0.332 413 G C 0.985 175.858 174.900 -0.045 0.000 1.306 413 G CA 1.020 46.090 45.100 -0.051 0.000 1.002 413 G HN 0.696 nan 8.290 nan 0.000 0.545 414 E N 1.137 121.306 120.200 -0.052 0.000 2.489 414 E HA 0.392 4.732 4.350 -0.016 0.000 0.193 414 E C 2.133 178.704 176.600 -0.050 0.000 1.057 414 E CA 0.478 56.852 56.400 -0.042 0.000 0.866 414 E CB 0.110 29.787 29.700 -0.038 0.000 0.916 414 E HN 0.633 nan 8.360 nan 0.000 0.500 415 A N 0.583 123.361 122.820 -0.069 0.000 2.423 415 A HA 0.036 4.347 4.320 -0.016 0.000 0.246 415 A C 1.771 179.324 177.584 -0.052 0.000 1.278 415 A CA 0.008 52.002 52.037 -0.072 0.000 0.903 415 A CB -0.195 18.739 19.000 -0.109 0.000 0.997 415 A HN 0.107 nan 8.150 nan 0.000 0.510 416 T N -0.512 114.021 114.554 -0.035 0.000 3.052 416 T HA -0.154 4.186 4.350 -0.016 0.000 0.270 416 T C 1.262 175.966 174.700 0.007 0.000 1.147 416 T CA 1.825 63.920 62.100 -0.007 0.000 1.089 416 T CB -0.476 68.391 68.868 -0.002 0.000 0.875 416 T HN 0.458 nan 8.240 nan 0.000 0.541 417 D N -0.120 120.276 120.400 -0.007 0.000 2.350 417 D HA 0.172 4.802 4.640 -0.016 0.000 0.213 417 D C 0.236 176.530 176.300 -0.010 0.000 1.031 417 D CA 0.037 54.036 54.000 -0.001 0.000 0.861 417 D CB 0.058 40.852 40.800 -0.009 0.000 0.926 417 D HN 0.482 nan 8.370 nan 0.000 0.520 418 I N 1.005 121.558 120.570 -0.028 0.000 2.377 418 I HA 0.213 4.373 4.170 -0.016 0.000 0.293 418 I C -0.354 175.710 176.117 -0.087 0.000 0.987 418 I CA -0.950 60.314 61.300 -0.060 0.000 1.185 418 I CB 2.305 40.259 38.000 -0.076 0.000 1.341 418 I HN -0.375 nan 8.210 nan 0.000 0.455 419 V N 7.016 126.844 119.914 -0.143 0.000 2.370 419 V HA 0.350 4.460 4.120 -0.016 0.000 0.279 419 V C 0.146 176.016 176.094 -0.372 0.000 1.029 419 V CA -0.587 61.547 62.300 -0.276 0.000 0.870 419 V CB 1.565 33.171 31.823 -0.363 0.000 0.984 419 V HN 0.549 nan 8.190 nan 0.000 0.451 420 V N 3.004 122.613 119.914 -0.509 0.000 2.881 420 V HA 0.731 4.841 4.120 -0.016 0.000 0.316 420 V C -0.400 175.170 176.094 -0.873 0.000 1.070 420 V CA -0.977 60.947 62.300 -0.627 0.000 0.976 420 V CB 1.956 33.476 31.823 -0.505 0.000 1.038 420 V HN 0.861 nan 8.190 nan 0.000 0.446 421 M N 4.063 123.091 119.600 -0.953 0.000 2.227 421 M HA 0.617 5.087 4.480 -0.016 0.000 0.335 421 M C -0.522 175.365 176.300 -0.688 0.000 1.053 421 M CA -0.622 54.140 55.300 -0.896 0.000 0.973 421 M CB 1.144 33.116 32.600 -1.047 0.000 1.623 421 M HN 0.987 nan 8.290 nan 0.000 0.434 422 R N 5.713 125.972 120.500 -0.401 0.000 2.494 422 R HA 0.662 4.993 4.340 -0.016 0.000 0.305 422 R C -2.014 174.261 176.300 -0.040 0.000 0.959 422 R CA -0.502 55.520 56.100 -0.129 0.000 0.864 422 R CB 1.195 31.512 30.300 0.028 0.000 1.159 422 R HN 0.837 nan 8.270 nan 0.000 0.446 423 I N 5.050 125.622 120.570 0.004 0.000 2.355 423 I HA 0.280 4.440 4.170 -0.016 0.000 0.288 423 I C -0.170 175.906 176.117 -0.068 0.000 0.999 423 I CA -0.804 60.482 61.300 -0.023 0.000 1.163 423 I CB 1.816 39.838 38.000 0.037 0.000 1.316 423 I HN 0.495 nan 8.210 nan 0.000 0.454 424 M N 5.333 124.838 119.600 -0.158 0.000 2.146 424 M HA 0.244 4.714 4.480 -0.016 0.000 0.357 424 M C -0.830 175.389 176.300 -0.135 0.000 1.261 424 M CA -0.288 54.882 55.300 -0.215 0.000 1.106 424 M CB 1.001 33.350 32.600 -0.418 0.000 1.612 424 M HN 0.552 nan 8.290 nan 0.000 0.470 425 C N 5.935 125.234 119.300 -0.001 0.000 2.206 425 C HA 0.511 4.962 4.460 -0.016 0.000 0.324 425 C C 0.691 175.786 174.990 0.175 0.000 1.120 425 C CA -0.843 58.267 59.018 0.152 0.000 1.546 425 C CB -0.676 27.182 27.740 0.197 0.000 2.023 425 C HN 0.837 nan 8.230 nan 0.000 0.448 426 R N 1.754 122.318 120.500 0.106 0.000 2.893 426 R HA 0.641 4.971 4.340 -0.016 0.000 0.245 426 R C -0.013 176.325 176.300 0.063 0.000 1.192 426 R CA -0.918 55.213 56.100 0.051 0.000 1.077 426 R CB 0.900 31.105 30.300 -0.159 0.000 1.253 426 R HN 0.573 nan 8.270 nan 0.000 0.505 427 R N -0.257 120.246 120.500 0.006 0.000 2.494 427 R HA 0.037 4.367 4.340 -0.016 0.000 0.291 427 R C 0.421 176.639 176.300 -0.137 0.000 0.953 427 R CA 2.025 58.073 56.100 -0.087 0.000 1.098 427 R CB -0.256 29.981 30.300 -0.105 0.000 0.911 427 R HN 0.972 nan 8.270 nan 0.000 0.407 428 G N 3.665 112.288 108.800 -0.295 0.000 2.254 428 G HA2 -0.283 3.667 3.960 -0.016 0.000 0.225 428 G HA3 -0.283 3.667 3.960 -0.016 0.000 0.225 428 G C -0.170 174.605 174.900 -0.208 0.000 1.003 428 G CA 0.021 44.922 45.100 -0.331 0.000 0.622 428 G HN 0.595 nan 8.290 nan 0.000 0.507 429 F N 4.056 123.872 119.950 -0.224 0.000 2.499 429 F HA 0.629 5.146 4.527 -0.018 0.000 0.353 429 F C 0.339 176.122 175.800 -0.028 0.000 1.196 429 F CA -1.359 56.541 58.000 -0.167 0.000 1.244 429 F CB 0.104 39.075 39.000 -0.049 0.000 1.577 429 F HN 0.038 nan 8.300 nan 0.000 0.614 430 E N 3.160 123.229 120.200 -0.220 0.000 2.292 430 E HA 0.100 4.440 4.350 -0.016 0.000 0.258 430 E C 1.217 177.724 176.600 -0.156 0.000 1.115 430 E CA -0.522 55.812 56.400 -0.108 0.000 0.929 430 E CB 0.810 30.544 29.700 0.055 0.000 1.161 430 E HN 0.571 nan 8.360 nan 0.000 0.453 431 M N 1.304 120.817 119.600 -0.146 0.000 2.103 431 M HA -0.235 4.235 4.480 -0.016 0.000 0.255 431 M C 1.014 177.232 176.300 -0.137 0.000 1.074 431 M CA 1.846 57.036 55.300 -0.184 0.000 1.090 431 M CB -0.438 32.036 32.600 -0.210 0.000 1.325 431 M HN 0.388 nan 8.290 nan 0.000 0.403 432 D N -0.915 119.431 120.400 -0.089 0.000 2.123 432 D HA -0.171 4.459 4.640 -0.016 0.000 0.196 432 D C 1.925 178.134 176.300 -0.151 0.000 0.992 432 D CA 1.593 55.505 54.000 -0.146 0.000 0.833 432 D CB -0.461 40.196 40.800 -0.238 0.000 0.954 432 D HN 0.440 nan 8.370 nan 0.000 0.455 433 F N 1.347 121.264 119.950 -0.055 0.000 2.186 433 F HA -0.036 4.480 4.527 -0.018 0.000 0.299 433 F C 2.558 178.372 175.800 0.023 0.000 1.090 433 F CA 0.763 58.821 58.000 0.097 0.000 1.307 433 F CB -0.510 38.589 39.000 0.163 0.000 1.019 433 F HN -0.091 nan 8.300 nan 0.000 0.489 434 A N -0.197 122.513 122.820 -0.183 0.000 1.933 434 A HA -0.182 4.128 4.320 -0.016 0.000 0.218 434 A C 2.190 179.829 177.584 0.091 0.000 1.175 434 A CA 1.571 53.557 52.037 -0.086 0.000 0.628 434 A CB -0.534 18.377 19.000 -0.149 0.000 0.814 434 A HN 0.214 nan 8.150 nan 0.000 0.444 435 E N -0.551 119.701 120.200 0.088 0.000 2.118 435 E HA -0.160 4.180 4.350 -0.016 0.000 0.195 435 E C 1.878 178.541 176.600 0.106 0.000 0.992 435 E CA 1.042 57.509 56.400 0.112 0.000 0.804 435 E CB -0.330 29.396 29.700 0.044 0.000 0.741 435 E HN 0.502 nan 8.360 nan 0.000 0.458 436 L N 0.675 121.985 121.223 0.144 0.000 2.179 436 L HA -0.009 4.321 4.340 -0.016 0.000 0.208 436 L C 2.087 179.116 176.870 0.264 0.000 1.096 436 L CA 1.112 56.091 54.840 0.231 0.000 0.779 436 L CB -0.740 41.499 42.059 0.301 0.000 0.922 436 L HN 0.129 nan 8.230 nan 0.000 0.443 437 L N -0.975 120.296 121.223 0.080 0.000 2.017 437 L HA -0.227 4.103 4.340 -0.016 0.000 0.208 437 L C 2.483 179.291 176.870 -0.104 0.000 1.073 437 L CA 1.787 56.402 54.840 -0.375 0.000 0.745 437 L CB -0.394 41.313 42.059 -0.587 0.000 0.894 437 L HN 0.319 nan 8.230 nan 0.000 0.432 438 L N -0.176 121.031 121.223 -0.026 0.000 2.079 438 L HA -0.285 4.045 4.340 -0.016 0.000 0.210 438 L C 2.516 179.418 176.870 0.053 0.000 1.081 438 L CA 1.555 56.381 54.840 -0.024 0.000 0.752 438 L CB -0.400 41.630 42.059 -0.048 0.000 0.896 438 L HN 0.382 nan 8.230 nan 0.000 0.433 439 E N -0.317 119.934 120.200 0.086 0.000 2.072 439 E HA -0.213 4.127 4.350 -0.016 0.000 0.191 439 E C 1.746 178.429 176.600 0.139 0.000 0.985 439 E CA 1.126 57.591 56.400 0.108 0.000 0.801 439 E CB 0.110 29.877 29.700 0.112 0.000 0.750 439 E HN 0.426 nan 8.360 nan 0.000 0.452 440 D N -0.429 120.074 120.400 0.172 0.000 2.149 440 D HA -0.147 4.483 4.640 -0.016 0.000 0.201 440 D C 1.626 178.014 176.300 0.146 0.000 0.972 440 D CA 0.711 54.826 54.000 0.191 0.000 0.835 440 D CB -0.168 40.838 40.800 0.343 0.000 0.966 440 D HN 0.172 nan 8.370 nan 0.000 0.476 441 Y N 2.010 122.295 120.300 -0.026 0.000 2.145 441 Y HA -0.186 4.354 4.550 -0.017 0.000 0.286 441 Y C 2.157 178.054 175.900 -0.006 0.000 1.145 441 Y CA 1.551 59.627 58.100 -0.041 0.000 1.148 441 Y CB -0.027 38.388 38.460 -0.076 0.000 0.981 441 Y HN -0.167 nan 8.280 nan 0.000 0.507 442 K N -0.354 120.218 120.400 0.287 0.000 2.032 442 K HA -0.186 4.125 4.320 -0.016 0.000 0.209 442 K C 2.345 179.031 176.600 0.143 0.000 1.048 442 K CA 1.290 57.694 56.287 0.195 0.000 0.927 442 K CB -0.483 32.089 32.500 0.119 0.000 0.712 442 K HN 0.368 nan 8.250 nan 0.000 0.441 443 A N 1.063 123.960 122.820 0.128 0.000 1.940 443 A HA -0.200 4.110 4.320 -0.016 0.000 0.219 443 A C 2.193 179.849 177.584 0.120 0.000 1.176 443 A CA 2.100 54.209 52.037 0.121 0.000 0.631 443 A CB -0.579 18.491 19.000 0.116 0.000 0.814 443 A HN 0.217 nan 8.150 nan 0.000 0.446 444 S N -0.174 115.565 115.700 0.066 0.000 2.368 444 S HA -0.058 4.402 4.470 -0.016 0.000 0.224 444 S C 1.824 176.433 174.600 0.015 0.000 1.029 444 S CA 1.293 59.499 58.200 0.011 0.000 0.988 444 S CB -0.438 62.694 63.200 -0.113 0.000 0.838 444 S HN 0.511 nan 8.310 nan 0.000 0.462 445 L N 1.404 122.623 121.223 -0.006 0.000 2.017 445 L HA -0.151 4.179 4.340 -0.016 0.000 0.208 445 L C 2.654 179.566 176.870 0.071 0.000 1.073 445 L CA 1.385 56.213 54.840 -0.020 0.000 0.745 445 L CB -0.446 41.657 42.059 0.075 0.000 0.894 445 L HN 0.300 nan 8.230 nan 0.000 0.432 446 K N -0.560 119.905 120.400 0.108 0.000 2.097 446 K HA -0.260 4.050 4.320 -0.016 0.000 0.206 446 K C 2.248 178.937 176.600 0.148 0.000 1.049 446 K CA 1.611 57.965 56.287 0.112 0.000 0.933 446 K CB -0.232 32.333 32.500 0.109 0.000 0.717 446 K HN 0.178 nan 8.250 nan 0.000 0.442 447 Y N 1.125 121.471 120.300 0.077 0.000 2.242 447 Y HA -0.153 4.388 4.550 -0.016 0.000 0.291 447 Y C 1.839 177.845 175.900 0.177 0.000 1.137 447 Y CA 1.339 59.526 58.100 0.145 0.000 1.181 447 Y CB 0.053 38.558 38.460 0.076 0.000 0.989 447 Y HN 0.010 nan 8.280 nan 0.000 0.527 448 L N -0.762 120.621 121.223 0.266 0.000 2.141 448 L HA -0.187 4.144 4.340 -0.016 0.000 0.209 448 L C 2.696 179.656 176.870 0.150 0.000 1.094 448 L CA 1.515 56.474 54.840 0.199 0.000 0.763 448 L CB -0.541 41.566 42.059 0.080 0.000 0.908 448 L HN 0.304 nan 8.230 nan 0.000 0.437 449 S N -1.155 114.611 115.700 0.111 0.000 2.436 449 S HA -0.125 4.335 4.470 -0.016 0.000 0.228 449 S C 1.451 176.045 174.600 -0.010 0.000 1.014 449 S CA 0.877 59.123 58.200 0.075 0.000 0.950 449 S CB -0.098 63.151 63.200 0.082 0.000 0.784 449 S HN 0.334 nan 8.310 nan 0.000 0.504 450 D N 0.581 120.931 120.400 -0.083 0.000 2.355 450 D HA 0.135 4.765 4.640 -0.016 0.000 0.218 450 D C -0.233 175.766 176.300 -0.502 0.000 1.004 450 D CA 0.645 54.474 54.000 -0.284 0.000 0.880 450 D CB -0.003 40.575 40.800 -0.370 0.000 0.911 450 D HN 0.626 nan 8.370 nan 0.000 0.528 451 H N -1.420 117.566 119.070 -0.140 0.000 2.597 451 H HA 0.202 4.748 4.556 -0.016 0.000 0.225 451 H C -1.828 173.495 175.328 -0.009 0.000 1.422 451 H CA -1.076 54.901 56.048 -0.118 0.000 1.335 451 H CB 1.244 30.866 29.762 -0.234 0.000 1.783 451 H HN -0.087 nan 8.280 nan 0.000 0.513 452 P HA -0.159 nan 4.420 nan 0.000 0.223 452 P C 1.212 178.563 177.300 0.085 0.000 1.144 452 P CA 1.111 64.256 63.100 0.075 0.000 0.783 452 P CB 0.391 32.113 31.700 0.036 0.000 0.771 453 K N -0.644 119.808 120.400 0.087 0.000 2.283 453 K HA -0.012 4.298 4.320 -0.016 0.000 0.202 453 K C 1.863 178.515 176.600 0.087 0.000 1.048 453 K CA 0.666 56.999 56.287 0.077 0.000 0.948 453 K CB -0.482 32.060 32.500 0.070 0.000 0.742 453 K HN 0.200 nan 8.250 nan 0.000 0.458 454 L N 0.997 122.290 121.223 0.116 0.000 2.201 454 L HA -0.142 4.188 4.340 -0.016 0.000 0.212 454 L C 1.269 178.207 176.870 0.113 0.000 1.105 454 L CA 0.431 55.342 54.840 0.119 0.000 0.775 454 L CB -0.290 41.862 42.059 0.156 0.000 0.913 454 L HN 0.305 nan 8.230 nan 0.000 0.440 455 Q N 0.284 120.156 119.800 0.119 0.000 2.269 455 Q HA 0.090 4.421 4.340 -0.016 0.000 0.300 455 Q C 1.114 177.168 176.000 0.090 0.000 1.070 455 Q CA 1.068 56.943 55.803 0.120 0.000 0.957 455 Q CB 0.439 29.239 28.738 0.104 0.000 1.131 455 Q HN 0.354 nan 8.270 nan 0.000 0.377 456 G N 3.659 112.518 108.800 0.098 0.000 2.225 456 G HA2 -0.306 3.645 3.960 -0.016 0.000 0.254 456 G HA3 -0.306 3.645 3.960 -0.016 0.000 0.254 456 G C 0.619 175.547 174.900 0.048 0.000 0.988 456 G CA 0.380 45.523 45.100 0.072 0.000 0.625 456 G HN 0.688 nan 8.290 nan 0.000 0.527 457 I N 1.576 122.176 120.570 0.050 0.000 2.133 457 I HA 0.117 4.277 4.170 -0.016 0.000 0.238 457 I C 2.178 178.292 176.117 -0.005 0.000 1.074 457 I CA 1.132 62.446 61.300 0.024 0.000 1.342 457 I CB -0.546 37.473 38.000 0.032 0.000 1.053 457 I HN 0.423 nan 8.210 nan 0.000 0.404 458 A N 1.945 124.773 122.820 0.013 0.000 2.488 458 A HA 0.156 4.466 4.320 -0.016 0.000 0.249 458 A C 0.621 178.099 177.584 -0.177 0.000 1.083 458 A CA 0.039 52.061 52.037 -0.024 0.000 0.768 458 A CB -0.059 18.976 19.000 0.058 0.000 1.017 458 A HN 0.593 nan 8.150 nan 0.000 0.496 459 Q N 1.395 120.988 119.800 -0.344 0.000 1.986 459 Q HA 0.197 4.528 4.340 -0.016 0.000 0.225 459 Q C -0.499 175.128 176.000 -0.621 0.000 0.836 459 Q CA -0.402 54.933 55.803 -0.781 0.000 1.008 459 Q CB -0.147 28.309 28.738 -0.470 0.000 1.253 459 Q HN 0.643 nan 8.270 nan 0.000 0.415 460 Q N 1.598 121.196 119.800 -0.337 0.000 2.257 460 Q HA 0.356 4.686 4.340 -0.016 0.000 0.255 460 Q C -0.924 175.115 176.000 0.065 0.000 0.920 460 Q CA -0.174 55.560 55.803 -0.115 0.000 0.927 460 Q CB 1.165 29.887 28.738 -0.027 0.000 1.229 460 Q HN 0.144 nan 8.270 nan 0.000 0.433 461 N N 1.408 120.205 118.700 0.160 0.000 2.458 461 N HA 0.113 4.843 4.740 -0.016 0.000 0.258 461 N C -0.973 174.679 175.510 0.236 0.000 1.219 461 N CA 0.291 53.522 53.050 0.302 0.000 0.902 461 N CB 0.691 39.326 38.487 0.247 0.000 1.076 461 N HN 0.504 nan 8.380 nan 0.000 0.455 462 S N 1.569 117.433 115.700 0.274 0.000 2.586 462 S HA 0.225 4.686 4.470 -0.016 0.000 0.274 462 S C 0.080 174.802 174.600 0.204 0.000 1.281 462 S CA -0.675 57.665 58.200 0.234 0.000 1.035 462 S CB 0.336 63.674 63.200 0.230 0.000 0.962 462 S HN 0.450 nan 8.310 nan 0.000 0.512 463 F N 3.481 123.460 119.950 0.049 0.000 2.395 463 F HA -0.118 4.400 4.527 -0.016 0.000 0.421 463 F C 1.393 177.142 175.800 -0.085 0.000 0.942 463 F CA 0.305 58.305 58.000 0.000 0.000 1.107 463 F CB 0.210 39.224 39.000 0.023 0.000 0.895 463 F HN 0.677 nan 8.300 nan 0.000 0.522 464 K N 3.947 123.851 120.400 -0.826 0.000 2.402 464 K HA 0.103 4.413 4.320 -0.016 0.000 0.203 464 K C 0.909 176.869 176.600 -1.067 0.000 1.077 464 K CA 0.074 55.723 56.287 -1.064 0.000 1.051 464 K CB 0.066 31.614 32.500 -1.587 0.000 0.907 464 K HN 0.621 nan 8.250 nan 0.000 0.554 465 H N 0.503 118.905 119.070 -1.113 0.000 2.563 465 H HA 0.185 4.731 4.556 -0.017 0.000 0.264 465 H C 0.053 175.037 175.328 -0.573 0.000 0.957 465 H CA 0.867 56.469 56.048 -0.745 0.000 1.173 465 H CB 1.138 30.599 29.762 -0.502 0.000 1.420 465 H HN 0.209 nan 8.280 nan 0.000 0.551 466 T N 0.000 114.310 114.554 -0.407 0.000 3.816 466 T HA 0.000 4.340 4.350 -0.016 0.000 0.228 466 T CA 0.000 62.008 62.100 -0.154 0.000 1.349 466 T CB 0.000 68.829 68.868 -0.064 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658