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 1w8y_1_B DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.443 176.300 0.239 0.000 0.893 1 R CA 0.000 56.159 56.100 0.098 0.000 0.921 1 R CB 0.000 30.342 30.300 0.069 0.000 0.687 2 L N 0.686 122.036 121.223 0.211 0.000 2.084 2 L HA -0.021 4.319 4.340 -0.000 0.000 0.202 2 L C 2.062 178.996 176.870 0.107 0.000 1.074 2 L CA 2.129 57.096 54.840 0.210 0.000 0.757 2 L CB -0.116 42.030 42.059 0.145 0.000 0.918 2 L HN 0.997 nan 8.230 nan 0.000 0.444 3 T N -3.269 111.330 114.554 0.074 0.000 2.918 3 T HA -0.209 4.141 4.350 -0.000 0.000 0.271 3 T C 1.351 176.084 174.700 0.056 0.000 1.104 3 T CA 1.486 63.612 62.100 0.044 0.000 1.114 3 T CB -0.387 68.500 68.868 0.031 0.000 0.855 3 T HN 0.500 nan 8.240 nan 0.000 0.518 4 E N 0.582 120.832 120.200 0.084 0.000 2.060 4 E HA 0.093 4.443 4.350 -0.000 0.000 0.189 4 E C 2.106 178.757 176.600 0.086 0.000 0.974 4 E CA 0.704 57.155 56.400 0.085 0.000 0.808 4 E CB -0.279 29.482 29.700 0.101 0.000 0.768 4 E HN 0.371 nan 8.360 nan 0.000 0.453 5 L N 1.901 123.184 121.223 0.099 0.000 2.079 5 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 5 L C 2.199 179.095 176.870 0.043 0.000 1.081 5 L CA 1.689 56.538 54.840 0.015 0.000 0.752 5 L CB -0.170 41.744 42.059 -0.243 0.000 0.896 5 L HN -0.055 nan 8.230 nan 0.000 0.433 6 R N 0.081 120.633 120.500 0.087 0.000 2.070 6 R HA -0.195 4.144 4.340 -0.000 0.000 0.233 6 R C 2.088 178.503 176.300 0.192 0.000 1.137 6 R CA 1.831 58.045 56.100 0.191 0.000 0.945 6 R CB -0.691 29.631 30.300 0.037 0.000 0.845 6 R HN 0.691 nan 8.270 nan 0.000 0.430 7 E N 0.836 121.094 120.200 0.097 0.000 2.333 7 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 7 E C 0.594 177.232 176.600 0.063 0.000 1.007 7 E CA 1.464 57.909 56.400 0.076 0.000 0.845 7 E CB -0.048 29.680 29.700 0.046 0.000 0.766 7 E HN 0.333 nan 8.360 nan 0.000 0.507 8 D N 1.213 121.644 120.400 0.053 0.000 2.120 8 D HA 0.006 4.646 4.640 -0.000 0.000 0.202 8 D C 1.957 178.244 176.300 -0.022 0.000 0.972 8 D CA 0.904 54.912 54.000 0.013 0.000 0.837 8 D CB -0.009 40.794 40.800 0.004 0.000 0.989 8 D HN 0.190 nan 8.370 nan 0.000 0.469 9 I N 0.726 121.266 120.570 -0.050 0.000 2.315 9 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 9 I C 1.647 177.707 176.117 -0.095 0.000 1.117 9 I CA 0.939 62.114 61.300 -0.208 0.000 1.404 9 I CB -0.152 37.480 38.000 -0.615 0.000 1.071 9 I HN -0.065 nan 8.210 nan 0.000 0.419 10 D N 1.033 121.492 120.400 0.099 0.000 2.158 10 D HA -0.182 4.457 4.640 -0.000 0.000 0.197 10 D C 2.138 178.467 176.300 0.048 0.000 0.995 10 D CA 1.601 55.682 54.000 0.136 0.000 0.846 10 D CB 0.059 40.944 40.800 0.141 0.000 0.941 10 D HN 0.376 nan 8.370 nan 0.000 0.456 11 A N -0.199 122.632 122.820 0.020 0.000 1.903 11 A HA 0.029 4.349 4.320 -0.000 0.000 0.213 11 A C 2.303 179.876 177.584 -0.018 0.000 1.185 11 A CA 0.329 52.368 52.037 0.003 0.000 0.628 11 A CB -0.407 18.595 19.000 0.003 0.000 0.830 11 A HN 0.200 nan 8.150 nan 0.000 0.446 12 I N 0.016 120.562 120.570 -0.041 0.000 2.361 12 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 12 I C 1.802 177.886 176.117 -0.055 0.000 1.133 12 I CA 0.999 62.264 61.300 -0.057 0.000 1.413 12 I CB -0.282 37.665 38.000 -0.088 0.000 1.073 12 I HN 0.244 nan 8.210 nan 0.000 0.424 13 L N 0.571 121.762 121.223 -0.054 0.000 2.622 13 L HA -0.083 4.257 4.340 -0.000 0.000 0.233 13 L C 1.695 178.556 176.870 -0.015 0.000 1.156 13 L CA 0.484 55.300 54.840 -0.039 0.000 0.866 13 L CB -0.314 41.728 42.059 -0.027 0.000 0.980 13 L HN 0.231 nan 8.230 nan 0.000 0.448 14 E N -0.550 119.643 120.200 -0.012 0.000 2.479 14 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 14 E C 0.065 176.660 176.600 -0.008 0.000 1.049 14 E CA -0.000 56.398 56.400 -0.003 0.000 0.870 14 E CB -0.129 29.572 29.700 0.002 0.000 0.944 14 E HN 0.287 nan 8.360 nan 0.000 0.492 15 D N 2.335 122.724 120.400 -0.019 0.000 2.493 15 D HA -0.049 4.591 4.640 -0.000 0.000 0.240 15 D C -1.150 175.142 176.300 -0.014 0.000 1.142 15 D CA -1.380 52.607 54.000 -0.021 0.000 0.872 15 D CB 1.098 41.877 40.800 -0.035 0.000 1.173 15 D HN -0.106 nan 8.370 nan 0.000 0.467 16 P HA -0.251 nan 4.420 nan 0.000 0.218 16 P C 0.925 178.227 177.300 0.003 0.000 1.146 16 P CA 1.377 64.477 63.100 -0.000 0.000 0.820 16 P CB 0.010 31.710 31.700 0.000 0.000 0.778 17 A N -0.642 122.173 122.820 -0.008 0.000 2.024 17 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 17 A C 1.989 179.574 177.584 0.002 0.000 1.164 17 A CA 1.279 53.311 52.037 -0.008 0.000 0.643 17 A CB -1.136 17.840 19.000 -0.041 0.000 0.806 17 A HN 0.141 nan 8.150 nan 0.000 0.451 18 L N -0.112 121.107 121.223 -0.007 0.000 2.607 18 L HA 0.231 4.571 4.340 -0.000 0.000 0.228 18 L C 0.512 177.403 176.870 0.035 0.000 1.123 18 L CA 0.090 54.935 54.840 0.009 0.000 0.890 18 L CB -0.583 41.465 42.059 -0.018 0.000 1.103 18 L HN 0.352 nan 8.230 nan 0.000 0.468 19 E N -0.358 119.860 120.200 0.031 0.000 2.465 19 E HA 0.259 4.609 4.350 -0.000 0.000 0.260 19 E C 1.207 177.830 176.600 0.039 0.000 0.980 19 E CA 0.780 57.198 56.400 0.030 0.000 0.927 19 E CB 0.200 29.913 29.700 0.022 0.000 0.934 19 E HN 0.379 nan 8.360 nan 0.000 0.459 20 G N 2.208 111.028 108.800 0.033 0.000 2.184 20 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.264 20 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.264 20 G C 0.284 175.208 174.900 0.040 0.000 0.975 20 G CA 0.225 45.343 45.100 0.031 0.000 0.642 20 G HN 0.754 nan 8.290 nan 0.000 0.536 21 A N -1.010 121.844 122.820 0.057 0.000 2.248 21 A HA 0.868 5.188 4.320 -0.000 0.000 0.316 21 A C -0.066 177.555 177.584 0.061 0.000 1.101 21 A CA -0.003 52.080 52.037 0.076 0.000 0.875 21 A CB 1.751 20.834 19.000 0.140 0.000 1.207 21 A HN 1.114 nan 8.150 nan 0.000 0.504 22 V N 1.322 121.276 119.914 0.066 0.000 2.407 22 V HA 0.455 4.575 4.120 -0.000 0.000 0.291 22 V C -0.213 175.917 176.094 0.059 0.000 1.018 22 V CA -0.286 62.046 62.300 0.053 0.000 0.842 22 V CB 1.212 33.060 31.823 0.043 0.000 0.996 22 V HN 0.807 nan 8.190 nan 0.000 0.426 23 S N 3.076 118.807 115.700 0.051 0.000 2.472 23 S HA 0.743 5.213 4.470 -0.000 0.000 0.303 23 S C 0.320 174.952 174.600 0.053 0.000 1.099 23 S CA -0.555 57.672 58.200 0.044 0.000 1.077 23 S CB 1.844 65.058 63.200 0.022 0.000 1.031 23 S HN 0.976 nan 8.310 nan 0.000 0.487 24 G N 1.443 110.276 108.800 0.054 0.000 2.437 24 G HA2 0.580 4.540 3.960 -0.000 0.000 0.315 24 G HA3 0.580 4.540 3.960 -0.000 0.000 0.315 24 G C -1.083 173.861 174.900 0.073 0.000 1.210 24 G CA -0.453 44.687 45.100 0.068 0.000 0.943 24 G HN 0.589 nan 8.290 nan 0.000 0.471 25 V N 2.629 122.604 119.914 0.102 0.000 2.525 25 V HA 0.568 4.688 4.120 -0.000 0.000 0.299 25 V C -0.578 175.627 176.094 0.185 0.000 1.034 25 V CA -0.731 61.628 62.300 0.099 0.000 0.863 25 V CB 1.892 33.705 31.823 -0.017 0.000 0.999 25 V HN 0.537 nan 8.190 nan 0.000 0.423 26 V N 5.408 125.419 119.914 0.161 0.000 2.532 26 V HA 0.439 4.559 4.120 -0.000 0.000 0.294 26 V C -0.456 175.740 176.094 0.170 0.000 1.036 26 V CA -0.496 61.907 62.300 0.171 0.000 0.876 26 V CB 2.068 33.961 31.823 0.117 0.000 1.012 26 V HN 0.624 nan 8.190 nan 0.000 0.432 27 V N 5.506 125.530 119.914 0.183 0.000 2.483 27 V HA 0.720 4.840 4.120 -0.000 0.000 0.295 27 V C -0.215 175.958 176.094 0.131 0.000 1.035 27 V CA -0.566 61.834 62.300 0.167 0.000 0.896 27 V CB 1.954 33.845 31.823 0.114 0.000 0.986 27 V HN 0.565 nan 8.190 nan 0.000 0.447 28 V N 2.440 122.436 119.914 0.138 0.000 2.841 28 V HA 0.411 4.531 4.120 -0.000 0.000 0.310 28 V C -0.963 175.207 176.094 0.126 0.000 1.090 28 V CA -0.653 61.714 62.300 0.113 0.000 0.930 28 V CB 2.414 34.295 31.823 0.097 0.000 1.014 28 V HN 0.919 nan 8.190 nan 0.000 0.425 29 D N 2.266 122.729 120.400 0.105 0.000 2.441 29 D HA 0.213 4.853 4.640 -0.000 0.000 0.221 29 D C 1.254 177.606 176.300 0.087 0.000 1.156 29 D CA 0.046 54.111 54.000 0.108 0.000 0.896 29 D CB 1.571 42.431 40.800 0.101 0.000 1.028 29 D HN 0.606 nan 8.370 nan 0.000 0.509 30 T N 2.175 116.786 114.554 0.095 0.000 2.685 30 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 30 T C 1.724 176.447 174.700 0.039 0.000 1.034 30 T CA 1.777 63.917 62.100 0.067 0.000 1.149 30 T CB 0.012 68.916 68.868 0.061 0.000 0.860 30 T HN 0.543 nan 8.240 nan 0.000 0.449 31 A N 1.873 124.718 122.820 0.040 0.000 1.824 31 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 31 A C 2.594 180.193 177.584 0.025 0.000 1.209 31 A CA 2.258 54.311 52.037 0.026 0.000 0.614 31 A CB -1.341 17.676 19.000 0.028 0.000 0.852 31 A HN 0.589 nan 8.150 nan 0.000 0.447 32 T N -3.308 111.268 114.554 0.036 0.000 3.160 32 T HA 0.356 4.706 4.350 -0.000 0.000 0.257 32 T C 1.382 176.102 174.700 0.033 0.000 1.147 32 T CA 1.118 63.237 62.100 0.032 0.000 1.064 32 T CB -0.417 68.474 68.868 0.039 0.000 0.949 32 T HN 1.868 nan 8.240 nan 0.000 0.526 33 G N 1.180 110.003 108.800 0.037 0.000 2.200 33 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.268 33 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.268 33 G C -0.131 174.794 174.900 0.041 0.000 0.986 33 G CA 0.546 45.668 45.100 0.036 0.000 0.677 33 G HN 0.828 nan 8.290 nan 0.000 0.532 34 E N 0.419 120.648 120.200 0.048 0.000 2.392 34 E HA 0.298 4.648 4.350 -0.000 0.000 0.264 34 E C 0.268 176.899 176.600 0.051 0.000 1.024 34 E CA -0.258 56.171 56.400 0.048 0.000 0.903 34 E CB 0.250 29.985 29.700 0.058 0.000 0.963 34 E HN 0.396 nan 8.360 nan 0.000 0.432 35 E N 4.939 125.162 120.200 0.038 0.000 1.936 35 E HA 0.069 4.419 4.350 -0.000 0.000 0.267 35 E C 0.632 177.248 176.600 0.027 0.000 1.076 35 E CA -0.192 56.230 56.400 0.036 0.000 0.870 35 E CB 0.261 29.973 29.700 0.021 0.000 1.093 35 E HN 0.631 nan 8.360 nan 0.000 0.411 36 L N 3.612 124.860 121.223 0.041 0.000 1.988 36 L HA -0.059 4.280 4.340 -0.000 0.000 0.207 36 L C 0.570 177.461 176.870 0.035 0.000 1.071 36 L CA 1.115 55.965 54.840 0.017 0.000 0.744 36 L CB -0.146 41.900 42.059 -0.022 0.000 0.893 36 L HN 0.513 nan 8.230 nan 0.000 0.433 37 Y N -1.011 119.265 120.300 -0.041 0.000 2.477 37 Y HA 0.504 5.054 4.550 -0.000 0.000 0.347 37 Y C -0.655 175.242 175.900 -0.005 0.000 0.981 37 Y CA -1.129 56.951 58.100 -0.033 0.000 1.033 37 Y CB 2.078 40.506 38.460 -0.054 0.000 1.245 37 Y HN -0.195 nan 8.280 nan 0.000 0.455 38 S N 5.815 121.455 115.700 -0.100 0.000 2.653 38 S HA 0.488 4.958 4.470 -0.000 0.000 0.268 38 S C -1.853 172.744 174.600 -0.005 0.000 1.153 38 S CA -0.711 57.518 58.200 0.049 0.000 1.036 38 S CB 0.427 63.625 63.200 -0.003 0.000 1.103 38 S HN 0.821 nan 8.310 nan 0.000 0.466 39 R N 3.617 124.217 120.500 0.167 0.000 2.473 39 R HA 0.375 4.715 4.340 -0.000 0.000 0.303 39 R C -0.940 175.422 176.300 0.104 0.000 1.002 39 R CA -0.262 55.918 56.100 0.134 0.000 0.884 39 R CB 0.432 30.893 30.300 0.268 0.000 1.173 39 R HN 0.701 nan 8.270 nan 0.000 0.464 40 D N 3.157 123.594 120.400 0.061 0.000 2.723 40 D HA -0.157 4.483 4.640 -0.000 0.000 0.236 40 D C 0.786 177.119 176.300 0.055 0.000 1.138 40 D CA 1.279 55.310 54.000 0.051 0.000 0.676 40 D CB -0.833 39.998 40.800 0.052 0.000 1.069 40 D HN 0.924 nan 8.370 nan 0.000 0.430 41 G N 0.311 109.145 108.800 0.057 0.000 2.443 41 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.219 41 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.219 41 G C 1.483 176.412 174.900 0.049 0.000 1.131 41 G CA 0.849 45.985 45.100 0.060 0.000 0.775 41 G HN 0.453 nan 8.290 nan 0.000 0.547 42 G N -0.453 108.370 108.800 0.038 0.000 3.233 42 G HA2 0.330 4.290 3.960 -0.000 0.000 0.227 42 G HA3 0.330 4.290 3.960 -0.000 0.000 0.227 42 G C 0.126 175.043 174.900 0.027 0.000 1.175 42 G CA -0.257 44.862 45.100 0.031 0.000 0.781 42 G HN 0.281 nan 8.290 nan 0.000 0.542 43 E N 0.638 120.857 120.200 0.031 0.000 2.301 43 E HA 0.350 4.700 4.350 -0.000 0.000 0.275 43 E C 0.076 176.690 176.600 0.023 0.000 1.030 43 E CA -0.183 56.232 56.400 0.025 0.000 0.852 43 E CB 0.799 30.516 29.700 0.029 0.000 1.060 43 E HN 0.240 nan 8.360 nan 0.000 0.401 44 Q N 2.700 122.508 119.800 0.013 0.000 2.274 44 Q HA 0.496 4.836 4.340 -0.000 0.000 0.256 44 Q C -0.546 175.456 176.000 0.004 0.000 0.927 44 Q CA -0.213 55.593 55.803 0.004 0.000 0.939 44 Q CB 0.865 29.600 28.738 -0.006 0.000 1.201 44 Q HN 0.375 nan 8.270 nan 0.000 0.426 45 L N 1.307 122.532 121.223 0.003 0.000 2.341 45 L HA 0.506 4.846 4.340 -0.000 0.000 0.254 45 L C -1.033 175.833 176.870 -0.008 0.000 1.040 45 L CA -1.356 53.487 54.840 0.005 0.000 0.837 45 L CB 0.903 42.976 42.059 0.022 0.000 1.425 45 L HN 0.341 nan 8.230 nan 0.000 0.414 46 L N 2.750 123.968 121.223 -0.008 0.000 2.380 46 L HA 0.294 4.634 4.340 -0.000 0.000 0.273 46 L C -1.592 175.273 176.870 -0.007 0.000 1.138 46 L CA -0.758 54.069 54.840 -0.022 0.000 0.832 46 L CB 0.296 42.336 42.059 -0.031 0.000 1.124 46 L HN 0.403 nan 8.230 nan 0.000 0.454 47 P HA 0.145 nan 4.420 nan 0.000 0.259 47 P C 0.542 177.845 177.300 0.006 0.000 1.233 47 P CA 0.839 63.948 63.100 0.015 0.000 0.827 47 P CB 0.839 32.559 31.700 0.033 0.000 1.154 48 A N 0.853 123.662 122.820 -0.017 0.000 5.479 48 A HA -0.281 4.039 4.320 -0.000 0.000 0.301 48 A C 1.842 179.419 177.584 -0.013 0.000 1.961 48 A CA 1.716 53.732 52.037 -0.035 0.000 0.716 48 A CB -2.490 16.484 19.000 -0.043 0.000 1.266 48 A HN 0.161 nan 8.150 nan 0.000 0.372 49 S N 0.560 116.246 115.700 -0.024 0.000 2.500 49 S HA -0.112 4.358 4.470 -0.000 0.000 0.239 49 S C 1.447 176.053 174.600 0.010 0.000 0.989 49 S CA 1.425 59.620 58.200 -0.008 0.000 0.951 49 S CB -0.650 62.526 63.200 -0.039 0.000 0.759 49 S HN 0.637 nan 8.310 nan 0.000 0.523 50 N N 1.396 120.108 118.700 0.020 0.000 2.364 50 N HA -0.042 4.698 4.740 -0.000 0.000 0.183 50 N C 1.457 177.074 175.510 0.177 0.000 1.022 50 N CA 0.567 53.647 53.050 0.049 0.000 0.883 50 N CB -0.331 38.188 38.487 0.054 0.000 0.965 50 N HN 0.295 nan 8.380 nan 0.000 0.438 51 M N 1.016 120.718 119.600 0.171 0.000 2.267 51 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 51 M C 1.230 177.726 176.300 0.327 0.000 1.063 51 M CA 1.521 56.965 55.300 0.239 0.000 1.090 51 M CB -0.071 32.582 32.600 0.088 0.000 1.392 51 M HN -0.057 nan 8.290 nan 0.000 0.422 52 K N -0.337 120.182 120.400 0.198 0.000 2.280 52 K HA -0.105 4.215 4.320 -0.000 0.000 0.202 52 K C 1.796 178.486 176.600 0.150 0.000 1.047 52 K CA 1.167 57.555 56.287 0.168 0.000 0.942 52 K CB -0.411 32.072 32.500 -0.027 0.000 0.739 52 K HN 0.430 nan 8.250 nan 0.000 0.457 53 L N -0.402 120.909 121.223 0.147 0.000 2.093 53 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 53 L C 1.913 178.898 176.870 0.191 0.000 1.085 53 L CA 1.209 56.132 54.840 0.138 0.000 0.755 53 L CB -0.353 41.714 42.059 0.014 0.000 0.904 53 L HN 0.081 nan 8.230 nan 0.000 0.435 54 F N -0.653 119.399 119.950 0.169 0.000 2.407 54 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 54 F C 2.509 178.397 175.800 0.148 0.000 1.097 54 F CA 1.062 59.146 58.000 0.140 0.000 1.422 54 F CB -0.940 38.118 39.000 0.097 0.000 1.067 54 F HN -0.030 nan 8.300 nan 0.000 0.539 55 T N -0.480 114.292 114.554 0.365 0.000 2.894 55 T HA 0.000 4.350 4.350 -0.000 0.000 0.258 55 T C 2.360 177.234 174.700 0.291 0.000 1.043 55 T CA 1.037 63.322 62.100 0.309 0.000 1.141 55 T CB -0.486 68.601 68.868 0.364 0.000 0.873 55 T HN 0.243 nan 8.240 nan 0.000 0.449 56 A N 1.607 124.621 122.820 0.323 0.000 1.933 56 A HA 0.173 4.493 4.320 -0.000 0.000 0.218 56 A C 2.599 180.271 177.584 0.147 0.000 1.175 56 A CA 1.787 54.005 52.037 0.301 0.000 0.628 56 A CB -1.061 18.098 19.000 0.265 0.000 0.814 56 A HN 0.487 nan 8.150 nan 0.000 0.444 57 A N -0.017 122.900 122.820 0.162 0.000 1.858 57 A HA 0.147 4.466 4.320 -0.000 0.000 0.216 57 A C 2.538 180.091 177.584 -0.051 0.000 1.190 57 A CA 2.205 54.218 52.037 -0.041 0.000 0.617 57 A CB -1.151 17.856 19.000 0.011 0.000 0.827 57 A HN 1.104 nan 8.150 nan 0.000 0.443 58 A N -0.234 122.619 122.820 0.055 0.000 1.933 58 A HA 0.146 4.465 4.320 -0.000 0.000 0.218 58 A C 2.486 180.067 177.584 -0.004 0.000 1.175 58 A CA 2.163 54.230 52.037 0.051 0.000 0.628 58 A CB -1.017 18.038 19.000 0.092 0.000 0.814 58 A HN 1.058 nan 8.150 nan 0.000 0.444 59 A N -0.036 122.782 122.820 -0.002 0.000 1.851 59 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 59 A C 2.195 179.700 177.584 -0.132 0.000 1.195 59 A CA 1.633 53.654 52.037 -0.027 0.000 0.622 59 A CB -0.766 18.264 19.000 0.050 0.000 0.831 59 A HN 0.471 nan 8.150 nan 0.000 0.444 60 L N -1.186 119.859 121.223 -0.298 0.000 1.989 60 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 60 L C 2.715 179.396 176.870 -0.315 0.000 1.071 60 L CA 1.933 56.451 54.840 -0.537 0.000 0.749 60 L CB -0.576 40.617 42.059 -1.444 0.000 0.890 60 L HN 0.461 nan 8.230 nan 0.000 0.431 61 E N -0.290 119.806 120.200 -0.173 0.000 2.118 61 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 61 E C 1.983 178.613 176.600 0.050 0.000 0.992 61 E CA 1.294 57.755 56.400 0.102 0.000 0.804 61 E CB 0.037 29.835 29.700 0.164 0.000 0.741 61 E HN 0.235 nan 8.360 nan 0.000 0.458 62 V N -0.485 119.425 119.914 -0.007 0.000 2.500 62 V HA -0.049 4.070 4.120 -0.000 0.000 0.243 62 V C 1.981 178.046 176.094 -0.048 0.000 1.039 62 V CA 1.151 63.444 62.300 -0.013 0.000 1.053 62 V CB -0.105 31.706 31.823 -0.019 0.000 0.695 62 V HN 0.237 nan 8.190 nan 0.000 0.463 63 L N -0.519 120.638 121.223 -0.111 0.000 2.425 63 L HA 0.566 4.906 4.340 -0.000 0.000 0.215 63 L C 1.100 177.943 176.870 -0.046 0.000 1.065 63 L CA 0.792 55.507 54.840 -0.210 0.000 0.842 63 L CB -0.165 41.599 42.059 -0.491 0.000 1.033 63 L HN 0.475 nan 8.230 nan 0.000 0.474 64 G N -0.402 108.370 108.800 -0.046 0.000 2.692 64 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.686 64 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.686 64 G C 0.504 175.411 174.900 0.011 0.000 1.243 64 G CA -0.331 44.774 45.100 0.008 0.000 0.782 64 G HN 0.193 nan 8.290 nan 0.000 0.625 65 A N 0.277 123.116 122.820 0.033 0.000 2.076 65 A HA 0.033 4.353 4.320 -0.000 0.000 0.220 65 A C 2.061 179.681 177.584 0.061 0.000 1.160 65 A CA 2.380 54.451 52.037 0.056 0.000 0.653 65 A CB -0.294 18.779 19.000 0.121 0.000 0.801 65 A HN 1.252 nan 8.150 nan 0.000 0.455 66 D N -1.710 118.722 120.400 0.053 0.000 2.354 66 D HA -0.033 4.607 4.640 -0.000 0.000 0.209 66 D C 0.640 176.926 176.300 -0.024 0.000 1.015 66 D CA -0.186 53.825 54.000 0.019 0.000 0.867 66 D CB -0.819 39.989 40.800 0.012 0.000 0.933 66 D HN 0.565 nan 8.370 nan 0.000 0.520 67 H N 1.327 120.326 119.070 -0.119 0.000 3.092 67 H HA 0.137 4.693 4.556 -0.000 0.000 0.332 67 H C 0.167 175.290 175.328 -0.341 0.000 1.029 67 H CA 0.967 56.870 56.048 -0.241 0.000 1.376 67 H CB 0.546 30.138 29.762 -0.283 0.000 1.329 67 H HN 0.101 nan 8.280 nan 0.000 0.598 68 S N 3.397 118.679 115.700 -0.697 0.000 2.632 68 S HA 0.609 5.079 4.470 -0.000 0.000 0.289 68 S C -1.309 172.844 174.600 -0.747 0.000 1.115 68 S CA -1.004 56.895 58.200 -0.501 0.000 0.889 68 S CB 1.464 64.487 63.200 -0.294 0.000 1.116 68 S HN 0.395 nan 8.310 nan 0.000 0.486 69 F N 0.141 120.018 119.950 -0.122 0.000 2.522 69 F HA 0.789 5.316 4.527 -0.000 0.000 0.324 69 F C 0.924 176.621 175.800 -0.171 0.000 1.077 69 F CA -0.360 57.571 58.000 -0.115 0.000 0.944 69 F CB 2.251 41.213 39.000 -0.063 0.000 1.175 69 F HN 0.995 nan 8.300 nan 0.000 0.468 70 G N 0.134 108.909 108.800 -0.041 0.000 2.511 70 G HA2 0.677 4.637 3.960 -0.000 0.000 0.318 70 G HA3 0.677 4.637 3.960 -0.000 0.000 0.318 70 G C -1.524 173.301 174.900 -0.124 0.000 1.210 70 G CA -0.751 44.282 45.100 -0.112 0.000 0.969 70 G HN 0.524 nan 8.290 nan 0.000 0.484 71 T N 0.856 115.356 114.554 -0.090 0.000 2.921 71 T HA 0.560 4.910 4.350 -0.000 0.000 0.297 71 T C -0.839 173.808 174.700 -0.088 0.000 1.013 71 T CA -0.554 61.486 62.100 -0.100 0.000 0.990 71 T CB 2.135 70.974 68.868 -0.049 0.000 1.023 71 T HN 0.575 nan 8.240 nan 0.000 0.447 72 E N 1.087 121.218 120.200 -0.115 0.000 2.392 72 E HA 0.745 5.095 4.350 -0.000 0.000 0.269 72 E C -1.179 175.378 176.600 -0.072 0.000 0.924 72 E CA -1.087 55.268 56.400 -0.076 0.000 0.784 72 E CB 2.523 32.181 29.700 -0.068 0.000 1.292 72 E HN 0.248 nan 8.360 nan 0.000 0.447 73 V N 0.471 120.379 119.914 -0.010 0.000 2.769 73 V HA 0.885 5.005 4.120 -0.000 0.000 0.312 73 V C -0.721 175.443 176.094 0.117 0.000 1.061 73 V CA -0.593 61.734 62.300 0.045 0.000 0.931 73 V CB 1.567 33.458 31.823 0.114 0.000 1.010 73 V HN 0.838 nan 8.190 nan 0.000 0.433 74 A N 2.505 125.446 122.820 0.202 0.000 2.594 74 A HA 0.950 5.270 4.320 -0.000 0.000 0.296 74 A C -0.810 177.004 177.584 0.384 0.000 1.056 74 A CA 0.045 52.228 52.037 0.244 0.000 0.693 74 A CB 1.551 20.685 19.000 0.222 0.000 1.278 74 A HN 1.671 nan 8.150 nan 0.000 0.408 75 A N 0.074 123.053 122.820 0.264 0.000 2.387 75 A HA 0.761 5.081 4.320 -0.000 0.000 0.303 75 A C 0.769 178.239 177.584 -0.189 0.000 1.145 75 A CA 0.281 52.429 52.037 0.184 0.000 0.801 75 A CB 0.972 20.015 19.000 0.071 0.000 1.342 75 A HN 1.064 nan 8.150 nan 0.000 0.440 76 E N -0.157 119.539 120.200 -0.840 0.000 2.118 76 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 76 E C 0.602 176.835 176.600 -0.611 0.000 0.992 76 E CA 1.584 57.092 56.400 -1.488 0.000 0.804 76 E CB 0.030 28.842 29.700 -1.480 0.000 0.741 76 E HN 0.762 nan 8.360 nan 0.000 0.458 77 S N -1.939 113.558 115.700 -0.339 0.000 2.672 77 S HA 0.665 5.135 4.470 -0.000 0.000 0.271 77 S C -0.573 173.966 174.600 -0.102 0.000 1.171 77 S CA -0.707 57.384 58.200 -0.182 0.000 0.817 77 S CB 1.039 64.136 63.200 -0.171 0.000 1.150 77 S HN 0.225 nan 8.310 nan 0.000 0.478 78 A N 1.853 124.634 122.820 -0.065 0.000 2.492 78 A HA 0.567 4.886 4.320 -0.000 0.000 0.236 78 A C -2.049 175.514 177.584 -0.035 0.000 1.078 78 A CA -0.756 51.259 52.037 -0.036 0.000 0.773 78 A CB -1.080 17.904 19.000 -0.027 0.000 1.023 78 A HN 0.723 nan 8.150 nan 0.000 0.504 79 P HA 0.173 nan 4.420 nan 0.000 0.268 79 P C 0.546 177.835 177.300 -0.019 0.000 1.205 79 P CA 0.431 63.522 63.100 -0.015 0.000 0.771 79 P CB 0.489 32.187 31.700 -0.005 0.000 0.858 80 G N 2.888 111.677 108.800 -0.019 0.000 2.583 80 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.275 80 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.275 80 G C 1.151 176.043 174.900 -0.014 0.000 1.342 80 G CA -0.473 44.616 45.100 -0.018 0.000 1.030 80 G HN 0.428 nan 8.290 nan 0.000 0.520 81 R N -0.694 119.798 120.500 -0.013 0.000 2.112 81 R HA -0.123 4.217 4.340 -0.000 0.000 0.242 81 R C 2.541 178.835 176.300 -0.009 0.000 1.137 81 R CA 1.760 57.853 56.100 -0.010 0.000 0.944 81 R CB -0.244 30.050 30.300 -0.009 0.000 0.857 81 R HN 0.403 nan 8.270 nan 0.000 0.435 82 R N -0.054 120.441 120.500 -0.009 0.000 2.339 82 R HA 0.048 4.388 4.340 -0.000 0.000 0.199 82 R C 0.668 176.963 176.300 -0.009 0.000 1.018 82 R CA 0.537 56.633 56.100 -0.008 0.000 1.036 82 R CB 0.192 30.488 30.300 -0.007 0.000 0.899 82 R HN 0.486 nan 8.270 nan 0.000 0.473 83 G N 2.260 111.054 108.800 -0.009 0.000 2.225 83 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 83 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 83 G C -0.358 174.538 174.900 -0.007 0.000 1.060 83 G CA 0.331 45.426 45.100 -0.008 0.000 0.833 83 G HN 0.446 nan 8.290 nan 0.000 0.498 84 E N -0.476 119.721 120.200 -0.006 0.000 2.227 84 E HA 0.755 5.105 4.350 -0.000 0.000 0.268 84 E C 0.089 176.689 176.600 -0.001 0.000 0.907 84 E CA -0.491 55.907 56.400 -0.003 0.000 0.786 84 E CB 2.412 32.111 29.700 -0.003 0.000 1.191 84 E HN 1.046 nan 8.360 nan 0.000 0.411 85 V N -0.394 119.526 119.914 0.009 0.000 3.113 85 V HA 0.413 4.533 4.120 -0.000 0.000 0.316 85 V C 0.589 176.702 176.094 0.032 0.000 1.125 85 V CA -0.753 61.557 62.300 0.016 0.000 1.026 85 V CB 1.521 33.367 31.823 0.038 0.000 1.080 85 V HN 0.755 nan 8.190 nan 0.000 0.444 86 Q N 0.801 120.630 119.800 0.049 0.000 1.922 86 Q HA 0.253 4.593 4.340 -0.000 0.000 0.224 86 Q C 0.165 176.235 176.000 0.117 0.000 0.973 86 Q CA 1.330 57.180 55.803 0.077 0.000 0.858 86 Q CB -0.099 28.694 28.738 0.091 0.000 0.910 86 Q HN 0.912 nan 8.270 nan 0.000 0.456 87 D N 0.173 120.705 120.400 0.220 0.000 2.229 87 D HA 0.345 4.984 4.640 -0.000 0.000 0.249 87 D C -0.771 175.713 176.300 0.306 0.000 1.027 87 D CA -0.212 53.944 54.000 0.259 0.000 0.923 87 D CB 1.205 42.280 40.800 0.458 0.000 1.174 87 D HN 0.253 nan 8.370 nan 0.000 0.443 88 L N 1.550 122.854 121.223 0.136 0.000 2.354 88 L HA 0.423 4.763 4.340 -0.000 0.000 0.269 88 L C -1.394 175.492 176.870 0.027 0.000 1.005 88 L CA -0.871 54.083 54.840 0.189 0.000 0.819 88 L CB 1.504 43.643 42.059 0.134 0.000 1.311 88 L HN 0.342 nan 8.230 nan 0.000 0.423 89 Y N 3.272 123.705 120.300 0.222 0.000 2.326 89 Y HA 0.319 4.869 4.550 -0.000 0.000 0.329 89 Y C -0.387 175.533 175.900 0.035 0.000 0.973 89 Y CA -0.644 57.545 58.100 0.148 0.000 1.162 89 Y CB 1.943 40.463 38.460 0.100 0.000 1.147 89 Y HN 0.285 nan 8.280 nan 0.000 0.456 90 L N 5.639 126.887 121.223 0.042 0.000 2.268 90 L HA 0.570 4.910 4.340 -0.000 0.000 0.289 90 L C -1.117 175.705 176.870 -0.080 0.000 1.064 90 L CA -0.433 54.300 54.840 -0.179 0.000 0.824 90 L CB 0.228 42.074 42.059 -0.355 0.000 1.202 90 L HN 0.380 nan 8.230 nan 0.000 0.433 91 V N 5.402 125.265 119.914 -0.085 0.000 2.328 91 V HA 0.659 4.779 4.120 -0.000 0.000 0.278 91 V C 0.822 176.828 176.094 -0.147 0.000 1.021 91 V CA -0.336 61.917 62.300 -0.079 0.000 0.838 91 V CB 0.864 32.647 31.823 -0.068 0.000 0.999 91 V HN 0.882 nan 8.190 nan 0.000 0.447 92 G N 3.913 112.624 108.800 -0.148 0.000 2.356 92 G HA2 0.578 4.538 3.960 -0.000 0.000 0.322 92 G HA3 0.578 4.538 3.960 -0.000 0.000 0.322 92 G C 0.033 174.772 174.900 -0.269 0.000 1.125 92 G CA -0.679 44.309 45.100 -0.187 0.000 0.885 92 G HN 0.641 nan 8.290 nan 0.000 0.467 93 R N 1.542 121.830 120.500 -0.353 0.000 2.903 93 R HA 0.315 4.655 4.340 -0.000 0.000 0.363 93 R C 0.905 176.990 176.300 -0.358 0.000 1.161 93 R CA 0.125 55.857 56.100 -0.613 0.000 1.109 93 R CB 0.972 30.662 30.300 -1.016 0.000 1.399 93 R HN 1.027 nan 8.270 nan 0.000 0.587 94 G N 1.231 109.815 108.800 -0.361 0.000 2.142 94 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.225 94 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.225 94 G C -0.359 174.324 174.900 -0.362 0.000 1.015 94 G CA 0.005 44.919 45.100 -0.311 0.000 0.716 94 G HN 0.425 nan 8.290 nan 0.000 0.508 95 D N 0.589 120.833 120.400 -0.260 0.000 2.312 95 D HA 0.407 5.047 4.640 -0.000 0.000 0.252 95 D C -0.744 175.363 176.300 -0.321 0.000 1.150 95 D CA -1.755 52.070 54.000 -0.291 0.000 0.870 95 D CB 1.486 42.243 40.800 -0.071 0.000 1.153 95 D HN 0.181 nan 8.370 nan 0.000 0.457 96 P HA 0.086 nan 4.420 nan 0.000 0.262 96 P C 0.165 177.266 177.300 -0.332 0.000 1.304 96 P CA 0.183 63.029 63.100 -0.424 0.000 0.859 96 P CB 0.184 31.407 31.700 -0.796 0.000 1.310 97 T N -3.681 110.695 114.554 -0.297 0.000 3.393 97 T HA 0.213 4.563 4.350 -0.000 0.000 0.298 97 T C 0.163 174.883 174.700 0.033 0.000 1.004 97 T CA -0.388 61.543 62.100 -0.282 0.000 0.956 97 T CB -0.566 67.743 68.868 -0.931 0.000 1.182 97 T HN -0.039 nan 8.240 nan 0.000 0.497 98 L N 3.987 125.236 121.223 0.043 0.000 2.407 98 L HA 0.413 4.752 4.340 -0.000 0.000 0.282 98 L C 0.440 177.360 176.870 0.084 0.000 1.110 98 L CA -0.155 54.717 54.840 0.054 0.000 0.863 98 L CB 0.357 42.420 42.059 0.007 0.000 1.207 98 L HN 0.595 nan 8.230 nan 0.000 0.454 99 S N 3.353 119.100 115.700 0.078 0.000 2.672 99 S HA 0.439 4.909 4.470 -0.000 0.000 0.276 99 S C 1.022 175.629 174.600 0.013 0.000 1.207 99 S CA -0.196 58.047 58.200 0.072 0.000 1.002 99 S CB 1.826 65.078 63.200 0.087 0.000 0.998 99 S HN 0.675 nan 8.310 nan 0.000 0.542 100 A N 0.099 122.931 122.820 0.019 0.000 2.121 100 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 100 A C 1.941 179.524 177.584 -0.002 0.000 1.154 100 A CA 1.457 53.504 52.037 0.018 0.000 0.679 100 A CB -0.928 18.085 19.000 0.022 0.000 0.795 100 A HN 0.917 nan 8.150 nan 0.000 0.458 101 E N 0.941 121.129 120.200 -0.019 0.000 2.107 101 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 101 E C 1.106 177.665 176.600 -0.069 0.000 0.982 101 E CA 1.501 57.882 56.400 -0.031 0.000 0.809 101 E CB -0.207 29.479 29.700 -0.023 0.000 0.756 101 E HN 0.516 nan 8.360 nan 0.000 0.459 102 D N 0.001 120.318 120.400 -0.137 0.000 2.183 102 D HA -0.091 4.549 4.640 -0.000 0.000 0.203 102 D C 1.957 178.173 176.300 -0.140 0.000 0.969 102 D CA 0.660 54.466 54.000 -0.324 0.000 0.842 102 D CB -0.094 40.334 40.800 -0.619 0.000 0.957 102 D HN 0.276 nan 8.370 nan 0.000 0.484 103 L N 0.586 121.797 121.223 -0.019 0.000 2.141 103 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 103 L C 2.132 179.116 176.870 0.191 0.000 1.094 103 L CA 0.841 55.776 54.840 0.160 0.000 0.763 103 L CB -0.235 41.944 42.059 0.200 0.000 0.908 103 L HN -0.072 nan 8.230 nan 0.000 0.437 104 D N 0.371 120.804 120.400 0.055 0.000 2.103 104 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 104 D C 2.203 178.512 176.300 0.015 0.000 0.978 104 D CA 1.404 55.408 54.000 0.007 0.000 0.829 104 D CB 0.172 40.962 40.800 -0.015 0.000 0.981 104 D HN 0.179 nan 8.370 nan 0.000 0.464 105 A N 0.233 123.061 122.820 0.013 0.000 1.940 105 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 105 A C 2.385 180.009 177.584 0.067 0.000 1.176 105 A CA 1.703 53.755 52.037 0.026 0.000 0.631 105 A CB -0.620 18.389 19.000 0.015 0.000 0.814 105 A HN 0.332 nan 8.150 nan 0.000 0.446 106 M N -0.986 118.689 119.600 0.125 0.000 2.254 106 M HA -0.037 4.443 4.480 -0.000 0.000 0.265 106 M C 2.469 178.908 176.300 0.232 0.000 1.066 106 M CA 1.052 56.478 55.300 0.211 0.000 1.123 106 M CB -0.288 32.472 32.600 0.267 0.000 1.388 106 M HN 0.479 nan 8.290 nan 0.000 0.425 107 A N 0.538 123.430 122.820 0.119 0.000 1.930 107 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 107 A C 2.354 179.887 177.584 -0.085 0.000 1.175 107 A CA 1.775 53.707 52.037 -0.175 0.000 0.627 107 A CB -0.731 18.053 19.000 -0.361 0.000 0.815 107 A HN 0.464 nan 8.150 nan 0.000 0.443 108 A N -0.027 122.774 122.820 -0.031 0.000 1.873 108 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 108 A C 1.895 179.480 177.584 0.002 0.000 1.186 108 A CA 1.520 53.544 52.037 -0.021 0.000 0.616 108 A CB -0.560 18.435 19.000 -0.010 0.000 0.823 108 A HN 0.601 nan 8.150 nan 0.000 0.442 109 E N -0.232 119.986 120.200 0.030 0.000 2.160 109 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 109 E C 1.932 178.556 176.600 0.041 0.000 0.991 109 E CA 1.180 57.604 56.400 0.039 0.000 0.810 109 E CB -0.280 29.455 29.700 0.059 0.000 0.742 109 E HN 0.420 nan 8.360 nan 0.000 0.466 110 V N 1.362 121.306 119.914 0.050 0.000 2.343 110 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 110 V C 2.352 178.453 176.094 0.012 0.000 1.051 110 V CA 1.880 64.209 62.300 0.049 0.000 1.036 110 V CB -0.676 31.180 31.823 0.055 0.000 0.654 110 V HN 0.317 nan 8.190 nan 0.000 0.451 111 A N -0.051 122.762 122.820 -0.012 0.000 1.902 111 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 111 A C 2.413 179.992 177.584 -0.008 0.000 1.181 111 A CA 2.032 54.057 52.037 -0.020 0.000 0.623 111 A CB -0.754 18.225 19.000 -0.035 0.000 0.818 111 A HN 0.564 nan 8.150 nan 0.000 0.443 112 A N -0.615 122.204 122.820 -0.002 0.000 1.930 112 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 112 A C 2.317 179.904 177.584 0.005 0.000 1.175 112 A CA 1.853 53.891 52.037 0.002 0.000 0.627 112 A CB -0.822 18.182 19.000 0.006 0.000 0.815 112 A HN 0.431 nan 8.150 nan 0.000 0.443 113 S N -1.522 114.185 115.700 0.012 0.000 2.500 113 S HA 0.228 4.698 4.470 -0.000 0.000 0.239 113 S C 1.339 175.943 174.600 0.007 0.000 0.989 113 S CA 1.149 59.357 58.200 0.013 0.000 0.951 113 S CB -0.176 63.038 63.200 0.024 0.000 0.759 113 S HN 1.682 nan 8.310 nan 0.000 0.523 114 G N 0.149 108.951 108.800 0.003 0.000 2.145 114 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.145 114 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.145 114 G C -0.183 174.716 174.900 -0.002 0.000 1.017 114 G CA -0.339 44.760 45.100 -0.001 0.000 0.682 114 G HN 0.340 nan 8.290 nan 0.000 0.504 115 V N 0.552 120.465 119.914 -0.001 0.000 2.394 115 V HA 0.584 4.703 4.120 -0.000 0.000 0.282 115 V C 1.171 177.256 176.094 -0.015 0.000 1.031 115 V CA -0.310 61.988 62.300 -0.003 0.000 0.881 115 V CB 1.430 33.257 31.823 0.007 0.000 0.982 115 V HN 0.396 nan 8.190 nan 0.000 0.451 116 R N 1.844 122.334 120.500 -0.016 0.000 2.412 116 R HA 0.274 4.614 4.340 -0.000 0.000 0.212 116 R C -0.116 176.169 176.300 -0.025 0.000 0.878 116 R CA 0.158 56.245 56.100 -0.022 0.000 1.022 116 R CB 0.928 31.217 30.300 -0.018 0.000 1.265 116 R HN 0.658 nan 8.270 nan 0.000 0.620 117 T N 0.760 115.303 114.554 -0.018 0.000 2.952 117 T HA 0.346 4.696 4.350 -0.000 0.000 0.305 117 T C -1.061 173.634 174.700 -0.009 0.000 1.064 117 T CA -0.486 61.604 62.100 -0.017 0.000 1.008 117 T CB 3.048 71.908 68.868 -0.014 0.000 1.078 117 T HN -0.248 nan 8.240 nan 0.000 0.459 118 V N 4.308 124.215 119.914 -0.012 0.000 2.293 118 V HA 0.292 4.412 4.120 -0.000 0.000 0.275 118 V C 1.240 177.331 176.094 -0.006 0.000 1.021 118 V CA -0.551 61.749 62.300 -0.001 0.000 0.815 118 V CB 0.909 32.728 31.823 -0.007 0.000 1.025 118 V HN 0.781 nan 8.190 nan 0.000 0.448 119 R N 2.779 123.282 120.500 0.006 0.000 2.090 119 R HA 0.042 4.382 4.340 -0.000 0.000 0.228 119 R C 1.691 177.994 176.300 0.006 0.000 1.110 119 R CA 1.147 57.250 56.100 0.005 0.000 0.973 119 R CB 0.066 30.373 30.300 0.012 0.000 0.869 119 R HN 0.776 nan 8.270 nan 0.000 0.440 120 G N 0.728 109.539 108.800 0.018 0.000 2.873 120 G HA2 0.035 3.995 3.960 -0.000 0.000 0.170 120 G HA3 0.035 3.995 3.960 -0.000 0.000 0.170 120 G C -0.387 174.483 174.900 -0.050 0.000 1.608 120 G CA -0.359 44.751 45.100 0.016 0.000 1.084 120 G HN 0.050 nan 8.290 nan 0.000 0.563 121 D N -0.604 119.726 120.400 -0.118 0.000 2.299 121 D HA 0.427 5.067 4.640 -0.000 0.000 0.243 121 D C -0.883 175.168 176.300 -0.415 0.000 0.982 121 D CA -0.469 53.340 54.000 -0.318 0.000 0.924 121 D CB 2.490 42.953 40.800 -0.562 0.000 1.238 121 D HN 0.167 nan 8.370 nan 0.000 0.484 122 L N 1.584 122.559 121.223 -0.413 0.000 2.272 122 L HA 0.340 4.680 4.340 -0.000 0.000 0.289 122 L C -1.616 174.977 176.870 -0.462 0.000 1.032 122 L CA -0.350 54.312 54.840 -0.296 0.000 0.810 122 L CB 0.286 42.287 42.059 -0.097 0.000 1.205 122 L HN 0.200 nan 8.230 nan 0.000 0.422 123 Y N 3.356 123.462 120.300 -0.323 0.000 2.446 123 Y HA 0.720 5.270 4.550 -0.000 0.000 0.338 123 Y C 0.324 176.135 175.900 -0.149 0.000 1.055 123 Y CA -0.680 57.231 58.100 -0.315 0.000 1.101 123 Y CB 1.973 40.028 38.460 -0.675 0.000 1.221 123 Y HN 0.710 nan 8.280 nan 0.000 0.460 124 A N 2.340 125.242 122.820 0.137 0.000 2.253 124 A HA 0.312 4.632 4.320 -0.000 0.000 0.316 124 A C -0.843 176.805 177.584 0.106 0.000 1.327 124 A CA -0.533 51.550 52.037 0.077 0.000 0.917 124 A CB -0.059 18.971 19.000 0.050 0.000 1.162 124 A HN 0.646 nan 8.150 nan 0.000 0.535 125 D N 3.129 123.586 120.400 0.095 0.000 2.467 125 D HA 0.189 4.829 4.640 -0.000 0.000 0.220 125 D C -0.493 175.818 176.300 0.018 0.000 1.103 125 D CA -0.226 53.824 54.000 0.083 0.000 0.886 125 D CB 0.979 41.844 40.800 0.108 0.000 1.025 125 D HN 0.550 nan 8.370 nan 0.000 0.514 126 D N 1.292 121.707 120.400 0.024 0.000 2.501 126 D HA -0.069 4.571 4.640 -0.000 0.000 0.226 126 D C 1.253 177.580 176.300 0.045 0.000 1.198 126 D CA -0.162 53.841 54.000 0.005 0.000 0.830 126 D CB -0.237 40.570 40.800 0.012 0.000 1.014 126 D HN 0.274 nan 8.370 nan 0.000 0.496 127 T N -4.014 110.575 114.554 0.060 0.000 3.077 127 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 127 T C 1.412 176.205 174.700 0.155 0.000 1.146 127 T CA 0.032 62.180 62.100 0.080 0.000 1.091 127 T CB -0.965 67.927 68.868 0.040 0.000 0.892 127 T HN 0.450 nan 8.240 nan 0.000 0.533 128 W N 0.961 122.198 121.300 -0.104 0.000 2.392 128 W HA 0.123 4.783 4.660 0.000 0.000 0.279 128 W C -0.187 176.394 176.519 0.103 0.000 1.225 128 W CA 0.169 57.449 57.345 -0.109 0.000 1.233 128 W CB 0.028 29.300 29.460 -0.313 0.000 1.122 128 W HN 0.260 nan 8.180 nan 0.000 0.561 129 F N 0.708 120.668 119.950 0.018 0.000 2.594 129 F HA 0.128 4.655 4.527 -0.000 0.000 0.335 129 F C 0.414 176.152 175.800 -0.103 0.000 1.058 129 F CA -1.522 56.398 58.000 -0.132 0.000 0.981 129 F CB 0.922 39.844 39.000 -0.130 0.000 1.289 129 F HN -0.259 nan 8.300 nan 0.000 0.490 130 D N -1.217 119.215 120.400 0.054 0.000 2.411 130 D HA 0.117 4.757 4.640 -0.000 0.000 0.251 130 D C 0.380 176.695 176.300 0.026 0.000 1.201 130 D CA -0.513 53.492 54.000 0.008 0.000 0.996 130 D CB 0.809 41.584 40.800 -0.042 0.000 1.101 130 D HN 0.382 nan 8.370 nan 0.000 0.504 131 S N -2.052 113.665 115.700 0.027 0.000 2.710 131 S HA -0.022 4.448 4.470 -0.000 0.000 0.224 131 S C 0.430 175.060 174.600 0.050 0.000 0.948 131 S CA -0.498 57.728 58.200 0.043 0.000 0.949 131 S CB -0.621 62.603 63.200 0.041 0.000 0.778 131 S HN 0.565 nan 8.310 nan 0.000 0.498 132 E N 1.796 122.022 120.200 0.045 0.000 2.003 132 E HA 0.167 4.517 4.350 -0.000 0.000 0.279 132 E C 0.554 177.249 176.600 0.157 0.000 1.132 132 E CA -0.507 55.958 56.400 0.109 0.000 0.888 132 E CB 0.319 30.122 29.700 0.172 0.000 1.056 132 E HN 0.186 nan 8.360 nan 0.000 0.399 133 R N 2.520 123.110 120.500 0.150 0.000 2.115 133 R HA 0.088 4.428 4.340 -0.000 0.000 0.226 133 R C 0.507 176.969 176.300 0.270 0.000 1.100 133 R CA 0.795 57.004 56.100 0.182 0.000 0.980 133 R CB -0.356 30.031 30.300 0.145 0.000 0.875 133 R HN 0.408 nan 8.270 nan 0.000 0.445 134 L N -0.749 120.572 121.223 0.164 0.000 2.350 134 L HA 0.418 4.758 4.340 -0.000 0.000 0.260 134 L C -0.367 176.129 176.870 -0.624 0.000 1.015 134 L CA -1.117 53.668 54.840 -0.092 0.000 0.821 134 L CB 2.300 44.415 42.059 0.095 0.000 1.370 134 L HN -0.369 nan 8.230 nan 0.000 0.416 135 V N 0.848 119.783 119.914 -1.632 0.000 2.614 135 V HA -0.007 4.113 4.120 -0.000 0.000 0.291 135 V C 0.465 176.047 176.094 -0.854 0.000 1.049 135 V CA 0.142 61.428 62.300 -1.690 0.000 1.038 135 V CB 1.182 31.579 31.823 -2.376 0.000 0.980 135 V HN 0.812 nan 8.190 nan 0.000 0.481 136 D N 2.821 122.884 120.400 -0.561 0.000 2.192 136 D HA -0.236 4.404 4.640 -0.000 0.000 0.189 136 D C 1.306 177.508 176.300 -0.163 0.000 1.007 136 D CA 2.099 55.935 54.000 -0.274 0.000 0.859 136 D CB -0.073 40.598 40.800 -0.216 0.000 0.936 136 D HN 0.913 nan 8.370 nan 0.000 0.447 137 D N -1.037 119.252 120.400 -0.185 0.000 2.358 137 D HA -0.043 4.597 4.640 -0.000 0.000 0.224 137 D C -0.310 176.038 176.300 0.079 0.000 1.123 137 D CA -0.458 53.526 54.000 -0.028 0.000 0.833 137 D CB -0.488 40.289 40.800 -0.038 0.000 0.946 137 D HN 0.159 nan 8.370 nan 0.000 0.505 138 W N 0.686 121.911 121.300 -0.125 0.000 2.161 138 W HA 0.300 4.960 4.660 -0.000 0.000 0.344 138 W C 0.488 177.037 176.519 0.051 0.000 1.262 138 W CA -1.263 55.999 57.345 -0.139 0.000 1.270 138 W CB 0.086 29.499 29.460 -0.079 0.000 1.126 138 W HN -0.050 nan 8.180 nan 0.000 0.598 139 W N 2.803 124.240 121.300 0.229 0.000 2.322 139 W HA 0.210 4.870 4.660 -0.000 0.000 0.307 139 W C -1.305 175.292 176.519 0.130 0.000 1.220 139 W CA -2.652 54.778 57.345 0.141 0.000 1.210 139 W CB -0.125 29.398 29.460 0.105 0.000 1.223 139 W HN 0.194 nan 8.180 nan 0.000 0.511 140 P HA -0.195 nan 4.420 nan 0.000 0.219 140 P C 1.125 178.520 177.300 0.158 0.000 1.146 140 P CA 1.715 64.929 63.100 0.190 0.000 0.808 140 P CB 0.506 32.281 31.700 0.124 0.000 0.779 141 E N -0.666 119.647 120.200 0.188 0.000 2.204 141 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 141 E C 1.411 178.157 176.600 0.243 0.000 0.990 141 E CA 1.046 57.546 56.400 0.167 0.000 0.821 141 E CB -0.741 29.037 29.700 0.129 0.000 0.750 141 E HN 0.318 nan 8.360 nan 0.000 0.477 142 D N 0.065 120.638 120.400 0.288 0.000 2.323 142 D HA -0.048 4.592 4.640 -0.000 0.000 0.209 142 D C 1.245 177.545 176.300 0.001 0.000 0.973 142 D CA 0.267 54.425 54.000 0.263 0.000 0.874 142 D CB 0.002 40.968 40.800 0.277 0.000 0.930 142 D HN 0.295 nan 8.370 nan 0.000 0.521 143 E N 0.543 120.740 120.200 -0.004 0.000 2.147 143 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 143 E C -0.843 175.622 176.600 -0.225 0.000 1.005 143 E CA 1.047 57.402 56.400 -0.074 0.000 0.810 143 E CB -0.662 29.040 29.700 0.004 0.000 0.736 143 E HN 0.322 nan 8.360 nan 0.000 0.460 144 P HA -0.098 nan 4.420 nan 0.000 0.230 144 P C -0.582 176.269 177.300 -0.749 0.000 1.158 144 P CA 1.029 63.757 63.100 -0.619 0.000 0.769 144 P CB 0.015 31.216 31.700 -0.833 0.000 0.807 145 Y N -1.749 118.405 120.300 -0.244 0.000 2.387 145 Y HA 0.514 5.064 4.550 -0.000 0.000 0.330 145 Y C 1.891 177.565 175.900 -0.375 0.000 1.133 145 Y CA -1.113 56.789 58.100 -0.329 0.000 1.152 145 Y CB 0.615 38.790 38.460 -0.474 0.000 1.215 145 Y HN -0.243 nan 8.280 nan 0.000 0.466 146 A N 2.255 125.059 122.820 -0.027 0.000 1.940 146 A HA -0.309 4.011 4.320 -0.000 0.000 0.221 146 A C 1.689 179.263 177.584 -0.016 0.000 1.190 146 A CA 2.379 54.411 52.037 -0.008 0.000 0.647 146 A CB -1.453 17.576 19.000 0.049 0.000 0.821 146 A HN 0.961 nan 8.150 nan 0.000 0.457 147 Y N -2.097 118.220 120.300 0.028 0.000 2.680 147 Y HA 0.322 4.871 4.550 -0.000 0.000 0.303 147 Y C 1.532 177.355 175.900 -0.128 0.000 1.166 147 Y CA 0.809 58.882 58.100 -0.046 0.000 1.344 147 Y CB -0.458 37.959 38.460 -0.072 0.000 1.002 147 Y HN 0.162 nan 8.280 nan 0.000 0.537 148 S N 0.022 115.513 115.700 -0.347 0.000 3.021 148 S HA 0.623 5.093 4.470 -0.000 0.000 0.252 148 S C 0.460 175.034 174.600 -0.044 0.000 0.996 148 S CA -0.230 57.793 58.200 -0.295 0.000 1.084 148 S CB -0.897 62.069 63.200 -0.390 0.000 1.021 148 S HN 0.618 nan 8.310 nan 0.000 0.566 149 A N 1.443 124.267 122.820 0.006 0.000 2.507 149 A HA 0.342 4.662 4.320 -0.000 0.000 0.235 149 A C 0.417 178.118 177.584 0.194 0.000 1.070 149 A CA 0.156 52.240 52.037 0.080 0.000 0.768 149 A CB 0.118 19.166 19.000 0.079 0.000 1.011 149 A HN 0.696 nan 8.150 nan 0.000 0.502 150 Q N 0.209 120.114 119.800 0.176 0.000 2.392 150 Q HA 0.214 4.554 4.340 -0.000 0.000 0.262 150 Q C -0.464 175.663 176.000 0.211 0.000 1.003 150 Q CA -0.017 55.915 55.803 0.214 0.000 0.888 150 Q CB 0.588 29.420 28.738 0.156 0.000 1.260 150 Q HN 0.530 nan 8.270 nan 0.000 0.435 151 I N 1.588 122.295 120.570 0.229 0.000 2.331 151 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 151 I C 0.144 176.338 176.117 0.129 0.000 0.998 151 I CA 0.251 61.653 61.300 0.169 0.000 1.267 151 I CB 0.991 39.052 38.000 0.102 0.000 1.386 151 I HN 0.485 nan 8.210 nan 0.000 0.476 152 S N 3.679 119.474 115.700 0.159 0.000 2.556 152 S HA 0.667 5.137 4.470 -0.000 0.000 0.271 152 S C 0.648 175.326 174.600 0.130 0.000 1.135 152 S CA -0.020 58.271 58.200 0.152 0.000 0.858 152 S CB 1.898 65.149 63.200 0.085 0.000 1.114 152 S HN 0.676 nan 8.310 nan 0.000 0.468 153 A N 2.706 125.518 122.820 -0.013 0.000 2.015 153 A HA 0.274 4.594 4.320 -0.000 0.000 0.219 153 A C 0.744 178.188 177.584 -0.234 0.000 1.163 153 A CA 0.759 52.526 52.037 -0.451 0.000 0.646 153 A CB -0.295 18.396 19.000 -0.515 0.000 0.806 153 A HN 0.697 nan 8.150 nan 0.000 0.448 154 L N 0.622 121.782 121.223 -0.104 0.000 2.324 154 L HA 0.431 4.771 4.340 -0.000 0.000 0.274 154 L C -0.750 176.099 176.870 -0.035 0.000 1.012 154 L CA -0.143 54.647 54.840 -0.083 0.000 0.859 154 L CB 1.466 43.482 42.059 -0.072 0.000 1.224 154 L HN 0.171 nan 8.230 nan 0.000 0.429 155 T N 2.765 117.303 114.554 -0.027 0.000 2.909 155 T HA 0.524 4.874 4.350 -0.000 0.000 0.299 155 T C -0.941 173.773 174.700 0.022 0.000 1.073 155 T CA -0.311 61.797 62.100 0.013 0.000 0.999 155 T CB 1.824 70.721 68.868 0.049 0.000 1.098 155 T HN 0.114 nan 8.240 nan 0.000 0.477 156 V N 3.786 123.725 119.914 0.042 0.000 2.407 156 V HA 0.729 4.849 4.120 -0.000 0.000 0.278 156 V C 0.680 176.846 176.094 0.120 0.000 1.037 156 V CA -0.767 61.572 62.300 0.064 0.000 0.900 156 V CB 0.952 32.806 31.823 0.053 0.000 0.983 156 V HN 1.079 nan 8.190 nan 0.000 0.459 157 A N 3.560 126.480 122.820 0.167 0.000 2.310 157 A HA 0.633 4.953 4.320 -0.000 0.000 0.299 157 A C -0.516 177.206 177.584 0.230 0.000 1.147 157 A CA -0.396 51.795 52.037 0.257 0.000 0.818 157 A CB 0.265 19.510 19.000 0.410 0.000 1.096 157 A HN 1.027 nan 8.150 nan 0.000 0.495 158 H N 0.870 120.002 119.070 0.104 0.000 2.458 158 H HA 0.540 5.096 4.556 -0.000 0.000 0.330 158 H C 0.749 176.044 175.328 -0.056 0.000 1.111 158 H CA 0.946 57.010 56.048 0.026 0.000 1.245 158 H CB 1.034 30.808 29.762 0.021 0.000 1.456 158 H HN 1.557 nan 8.280 nan 0.000 0.488 159 G N 3.342 111.794 108.800 -0.580 0.000 2.806 159 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.236 159 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.236 159 G C 0.712 175.303 174.900 -0.514 0.000 1.387 159 G CA 0.252 45.080 45.100 -0.454 0.000 0.884 159 G HN 0.913 nan 8.290 nan 0.000 0.560 160 E N -0.395 119.550 120.200 -0.425 0.000 2.502 160 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 160 E C 1.970 178.313 176.600 -0.428 0.000 1.062 160 E CA 0.548 56.618 56.400 -0.550 0.000 0.867 160 E CB 0.080 29.683 29.700 -0.162 0.000 0.888 160 E HN 0.550 nan 8.360 nan 0.000 0.510 161 R N -0.101 120.223 120.500 -0.293 0.000 2.254 161 R HA 0.122 4.462 4.340 -0.000 0.000 0.195 161 R C -0.261 176.143 176.300 0.173 0.000 0.957 161 R CA 0.196 56.239 56.100 -0.095 0.000 1.024 161 R CB -0.105 29.990 30.300 -0.343 0.000 0.952 161 R HN 0.135 nan 8.270 nan 0.000 0.484 162 F N 1.707 121.762 119.950 0.175 0.000 2.985 162 F HA -0.197 4.330 4.527 -0.000 0.000 0.303 162 F C -0.738 175.193 175.800 0.217 0.000 0.976 162 F CA 0.096 58.236 58.000 0.233 0.000 1.013 162 F CB -1.588 37.626 39.000 0.357 0.000 1.060 162 F HN 0.015 nan 8.300 nan 0.000 0.780 163 D N 1.287 121.830 120.400 0.239 0.000 2.317 163 D HA 0.272 4.912 4.640 -0.000 0.000 0.252 163 D C 0.835 177.257 176.300 0.204 0.000 1.174 163 D CA 0.393 54.489 54.000 0.160 0.000 0.866 163 D CB 1.265 42.119 40.800 0.090 0.000 1.127 163 D HN 0.334 nan 8.370 nan 0.000 0.467 164 T N -2.013 112.657 114.554 0.194 0.000 2.912 164 T HA 0.501 4.851 4.350 -0.000 0.000 0.280 164 T C 1.212 175.985 174.700 0.122 0.000 0.989 164 T CA -0.281 61.925 62.100 0.176 0.000 0.995 164 T CB 1.594 70.575 68.868 0.188 0.000 1.077 164 T HN 0.509 nan 8.240 nan 0.000 0.531 165 G N -0.094 108.769 108.800 0.105 0.000 2.258 165 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.274 165 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.274 165 G C 0.137 175.075 174.900 0.063 0.000 1.021 165 G CA 0.493 45.644 45.100 0.084 0.000 0.798 165 G HN 1.748 nan 8.290 nan 0.000 0.507 166 V N -4.427 115.521 119.914 0.055 0.000 3.155 166 V HA 1.008 5.128 4.120 -0.000 0.000 0.313 166 V C 0.009 176.111 176.094 0.013 0.000 1.162 166 V CA -0.211 62.097 62.300 0.014 0.000 1.048 166 V CB 2.115 33.919 31.823 -0.031 0.000 1.092 166 V HN 0.775 nan 8.190 nan 0.000 0.447 167 T N 0.241 114.780 114.554 -0.025 0.000 2.933 167 T HA 0.413 4.763 4.350 -0.000 0.000 0.305 167 T C -1.148 173.507 174.700 -0.076 0.000 1.092 167 T CA -0.327 61.767 62.100 -0.009 0.000 1.008 167 T CB 1.719 70.611 68.868 0.041 0.000 1.102 167 T HN 1.089 nan 8.240 nan 0.000 0.469 168 E N 3.125 123.283 120.200 -0.070 0.000 2.105 168 E HA 0.493 4.842 4.350 -0.000 0.000 0.285 168 E C -0.730 175.861 176.600 -0.015 0.000 1.055 168 E CA -0.517 55.833 56.400 -0.082 0.000 0.843 168 E CB 0.549 30.235 29.700 -0.022 0.000 1.067 168 E HN 0.388 nan 8.360 nan 0.000 0.398 169 V N 4.211 124.113 119.914 -0.020 0.000 2.509 169 V HA 0.342 4.462 4.120 -0.000 0.000 0.284 169 V C -0.128 175.969 176.094 0.004 0.000 1.047 169 V CA -0.498 61.800 62.300 -0.002 0.000 0.952 169 V CB 1.381 33.200 31.823 -0.005 0.000 0.988 169 V HN 0.763 nan 8.190 nan 0.000 0.469 170 S N 3.552 119.258 115.700 0.011 0.000 2.538 170 S HA 0.840 5.310 4.470 -0.000 0.000 0.288 170 S C -1.050 173.557 174.600 0.012 0.000 1.108 170 S CA -0.765 57.443 58.200 0.013 0.000 0.971 170 S CB 1.859 65.070 63.200 0.018 0.000 1.041 170 S HN 0.396 nan 8.310 nan 0.000 0.483 171 V N 2.525 122.446 119.914 0.012 0.000 2.531 171 V HA 0.790 4.910 4.120 -0.000 0.000 0.301 171 V C 0.095 176.195 176.094 0.010 0.000 1.034 171 V CA -0.465 61.841 62.300 0.010 0.000 0.865 171 V CB 1.700 33.529 31.823 0.010 0.000 0.995 171 V HN 1.161 nan 8.190 nan 0.000 0.424 172 T N 2.827 117.387 114.554 0.009 0.000 2.907 172 T HA 0.735 5.084 4.350 -0.000 0.000 0.292 172 T C -3.051 171.654 174.700 0.007 0.000 1.043 172 T CA -2.300 59.805 62.100 0.009 0.000 1.003 172 T CB 2.632 71.505 68.868 0.009 0.000 1.084 172 T HN 0.484 nan 8.240 nan 0.000 0.483 173 P HA 0.556 nan 4.420 nan 0.000 0.286 173 P C -0.447 176.856 177.300 0.005 0.000 1.261 173 P CA -0.453 62.650 63.100 0.006 0.000 0.821 173 P CB 1.585 33.288 31.700 0.005 0.000 1.013 174 A N 2.579 125.401 122.820 0.004 0.000 3.936 174 A HA 0.790 5.110 4.320 -0.000 0.000 0.160 174 A C 0.175 177.761 177.584 0.003 0.000 1.286 174 A CA -0.146 51.893 52.037 0.004 0.000 1.236 174 A CB -0.432 18.570 19.000 0.003 0.000 1.604 174 A HN 0.580 nan 8.150 nan 0.000 0.674 175 A N -0.304 122.518 122.820 0.003 0.000 2.286 175 A HA 0.523 4.843 4.320 -0.000 0.000 0.286 175 A C 0.179 177.764 177.584 0.002 0.000 1.097 175 A CA -0.148 51.890 52.037 0.002 0.000 0.821 175 A CB -0.047 18.955 19.000 0.002 0.000 1.076 175 A HN 0.703 nan 8.150 nan 0.000 0.490 176 E N 0.261 120.462 120.200 0.002 0.000 2.585 176 E HA 0.287 4.637 4.350 -0.000 0.000 0.252 176 E C 1.152 177.753 176.600 0.002 0.000 0.981 176 E CA 1.023 57.424 56.400 0.002 0.000 0.943 176 E CB -0.181 29.520 29.700 0.002 0.000 0.923 176 E HN 1.496 nan 8.360 nan 0.000 0.486 177 G N 3.760 112.561 108.800 0.002 0.000 2.258 177 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.233 177 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.233 177 G C 0.226 175.127 174.900 0.001 0.000 1.006 177 G CA 0.283 45.384 45.100 0.001 0.000 0.620 177 G HN 0.647 nan 8.290 nan 0.000 0.511 178 E N 2.535 122.735 120.200 0.001 0.000 2.343 178 E HA 0.449 4.799 4.350 -0.000 0.000 0.269 178 E C -1.945 174.656 176.600 0.002 0.000 1.047 178 E CA -1.937 54.464 56.400 0.001 0.000 0.874 178 E CB 1.294 30.995 29.700 0.002 0.000 1.033 178 E HN 0.220 nan 8.360 nan 0.000 0.409 179 P HA 0.010 nan 4.420 nan 0.000 0.269 179 P C -1.083 176.219 177.300 0.002 0.000 1.209 179 P CA -0.102 62.998 63.100 0.001 0.000 0.776 179 P CB 0.906 32.607 31.700 0.000 0.000 0.876 180 A N 2.814 125.636 122.820 0.003 0.000 2.351 180 A HA 0.215 4.535 4.320 -0.000 0.000 0.257 180 A C 0.174 177.760 177.584 0.004 0.000 1.087 180 A CA -0.314 51.725 52.037 0.004 0.000 0.798 180 A CB -0.137 18.866 19.000 0.005 0.000 1.033 180 A HN 0.485 nan 8.150 nan 0.000 0.488 181 D N 0.667 121.070 120.400 0.005 0.000 2.225 181 D HA 0.467 5.107 4.640 -0.000 0.000 0.248 181 D C -0.655 175.649 176.300 0.007 0.000 1.096 181 D CA 0.176 54.179 54.000 0.006 0.000 0.863 181 D CB 1.669 42.473 40.800 0.006 0.000 1.156 181 D HN 0.158 nan 8.370 nan 0.000 0.450 182 V N 2.058 121.976 119.914 0.006 0.000 2.680 182 V HA 0.329 4.449 4.120 -0.000 0.000 0.309 182 V C -0.164 175.936 176.094 0.010 0.000 1.052 182 V CA -0.819 61.485 62.300 0.007 0.000 0.908 182 V CB 2.596 34.422 31.823 0.004 0.000 1.001 182 V HN 0.478 nan 8.190 nan 0.000 0.431 183 D N 3.019 123.427 120.400 0.013 0.000 2.629 183 D HA 0.370 5.010 4.640 -0.000 0.000 0.250 183 D C 0.162 176.475 176.300 0.021 0.000 1.126 183 D CA -0.435 53.577 54.000 0.020 0.000 0.852 183 D CB 2.318 43.131 40.800 0.023 0.000 1.335 183 D HN 0.462 nan 8.370 nan 0.000 0.518 184 L N 3.430 124.669 121.223 0.026 0.000 2.645 184 L HA 0.195 4.534 4.340 -0.000 0.000 0.235 184 L C 1.726 178.622 176.870 0.045 0.000 1.150 184 L CA 0.228 55.084 54.840 0.028 0.000 0.911 184 L CB -0.772 41.303 42.059 0.026 0.000 1.077 184 L HN 0.704 nan 8.230 nan 0.000 0.438 185 G N 1.116 109.945 108.800 0.049 0.000 2.611 185 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.301 185 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.301 185 G C 1.036 175.988 174.900 0.086 0.000 1.233 185 G CA 0.577 45.715 45.100 0.064 0.000 0.993 185 G HN 0.349 nan 8.290 nan 0.000 0.553 186 A N -0.421 122.458 122.820 0.098 0.000 2.024 186 A HA 0.292 4.612 4.320 -0.000 0.000 0.220 186 A C 2.758 180.434 177.584 0.153 0.000 1.164 186 A CA 3.036 55.144 52.037 0.118 0.000 0.643 186 A CB -0.770 18.298 19.000 0.113 0.000 0.806 186 A HN 2.265 nan 8.150 nan 0.000 0.451 187 A N -0.410 122.491 122.820 0.135 0.000 2.259 187 A HA 0.173 4.492 4.320 -0.000 0.000 0.208 187 A C 0.486 178.148 177.584 0.131 0.000 1.201 187 A CA -0.157 51.984 52.037 0.173 0.000 0.824 187 A CB -0.197 18.909 19.000 0.177 0.000 0.838 187 A HN 0.392 nan 8.150 nan 0.000 0.485 188 E N -0.153 120.127 120.200 0.133 0.000 2.417 188 E HA 0.255 4.604 4.350 -0.000 0.000 0.261 188 E C 1.194 177.883 176.600 0.148 0.000 1.000 188 E CA 1.096 57.563 56.400 0.113 0.000 0.919 188 E CB 0.398 30.164 29.700 0.110 0.000 0.955 188 E HN 0.673 nan 8.360 nan 0.000 0.455 189 G N 3.222 112.058 108.800 0.061 0.000 2.148 189 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.254 189 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.254 189 G C 0.408 175.213 174.900 -0.159 0.000 0.981 189 G CA 0.804 45.930 45.100 0.043 0.000 0.670 189 G HN 0.617 nan 8.290 nan 0.000 0.528 190 Y N -0.012 120.063 120.300 -0.374 0.000 2.736 190 Y HA 0.695 5.245 4.550 -0.000 0.000 0.272 190 Y C 1.425 177.204 175.900 -0.200 0.000 1.118 190 Y CA 1.223 59.048 58.100 -0.458 0.000 1.248 190 Y CB 0.087 38.206 38.460 -0.569 0.000 1.437 190 Y HN 0.712 nan 8.280 nan 0.000 0.481 191 A N 1.501 124.126 122.820 -0.325 0.000 2.306 191 A HA 0.538 4.858 4.320 -0.000 0.000 0.330 191 A C -0.494 176.977 177.584 -0.187 0.000 1.146 191 A CA -0.687 51.147 52.037 -0.338 0.000 0.827 191 A CB 0.477 19.380 19.000 -0.162 0.000 1.178 191 A HN 0.294 nan 8.150 nan 0.000 0.490 192 E N -0.053 120.045 120.200 -0.171 0.000 2.374 192 E HA 0.331 4.681 4.350 -0.000 0.000 0.260 192 E C -1.102 175.454 176.600 -0.074 0.000 1.101 192 E CA -0.326 56.009 56.400 -0.108 0.000 0.907 192 E CB 1.424 31.065 29.700 -0.099 0.000 1.014 192 E HN 0.448 nan 8.360 nan 0.000 0.427 193 L N 2.149 123.341 121.223 -0.051 0.000 2.349 193 L HA 0.343 4.683 4.340 -0.000 0.000 0.278 193 L C -1.060 175.792 176.870 -0.030 0.000 0.996 193 L CA -0.394 54.424 54.840 -0.035 0.000 0.825 193 L CB 1.577 43.622 42.059 -0.023 0.000 1.243 193 L HN 0.219 nan 8.230 nan 0.000 0.412 194 D N 3.349 123.732 120.400 -0.028 0.000 2.462 194 D HA 0.224 4.864 4.640 -0.000 0.000 0.249 194 D C -1.056 175.234 176.300 -0.017 0.000 1.117 194 D CA -0.184 53.802 54.000 -0.023 0.000 0.900 194 D CB 0.490 41.275 40.800 -0.026 0.000 1.039 194 D HN 0.512 nan 8.370 nan 0.000 0.516 195 N N 2.761 121.454 118.700 -0.013 0.000 2.485 195 N HA 0.248 4.988 4.740 -0.000 0.000 0.243 195 N C -0.301 175.205 175.510 -0.006 0.000 0.987 195 N CA -0.288 52.757 53.050 -0.008 0.000 0.940 195 N CB 0.494 38.977 38.487 -0.006 0.000 1.122 195 N HN 0.207 nan 8.380 nan 0.000 0.509 196 R N 1.835 122.332 120.500 -0.005 0.000 2.652 196 R HA 0.437 4.777 4.340 -0.000 0.000 0.372 196 R C -0.139 176.160 176.300 -0.001 0.000 1.104 196 R CA -0.368 55.730 56.100 -0.004 0.000 1.072 196 R CB 0.738 31.035 30.300 -0.005 0.000 1.367 196 R HN 0.481 nan 8.270 nan 0.000 0.577 197 A N 0.436 123.256 122.820 -0.000 0.000 2.286 197 A HA 0.631 4.951 4.320 -0.000 0.000 0.286 197 A C -0.071 177.514 177.584 0.002 0.000 1.097 197 A CA -0.394 51.645 52.037 0.002 0.000 0.821 197 A CB 0.744 19.746 19.000 0.003 0.000 1.076 197 A HN 0.056 nan 8.150 nan 0.000 0.490 198 V N -0.251 119.665 119.914 0.003 0.000 2.914 198 V HA 0.523 4.643 4.120 -0.000 0.000 0.314 198 V C 0.082 176.178 176.094 0.003 0.000 1.084 198 V CA -0.721 61.580 62.300 0.003 0.000 0.963 198 V CB 1.771 33.596 31.823 0.002 0.000 1.025 198 V HN 0.832 nan 8.190 nan 0.000 0.432 199 T N 2.909 117.465 114.554 0.003 0.000 2.729 199 T HA 0.519 4.869 4.350 -0.000 0.000 0.296 199 T C 0.586 175.288 174.700 0.003 0.000 0.928 199 T CA 0.214 62.316 62.100 0.003 0.000 1.045 199 T CB 0.920 69.790 68.868 0.003 0.000 0.902 199 T HN 1.085 nan 8.240 nan 0.000 0.500 200 G N 1.771 110.573 108.800 0.004 0.000 2.547 200 G HA2 0.579 4.539 3.960 -0.000 0.000 0.291 200 G HA3 0.579 4.539 3.960 -0.000 0.000 0.291 200 G C -0.015 174.886 174.900 0.003 0.000 1.211 200 G CA -0.868 44.234 45.100 0.003 0.000 0.950 200 G HN 0.951 nan 8.290 nan 0.000 0.504 201 A N -0.264 122.557 122.820 0.003 0.000 2.462 201 A HA 0.579 4.898 4.320 -0.000 0.000 0.243 201 A C 1.067 178.653 177.584 0.003 0.000 1.076 201 A CA 0.362 52.401 52.037 0.002 0.000 0.773 201 A CB -0.169 18.832 19.000 0.002 0.000 1.010 201 A HN 1.928 nan 8.150 nan 0.000 0.493 202 A N 1.425 124.247 122.820 0.003 0.000 2.565 202 A HA 0.457 4.777 4.320 -0.000 0.000 0.237 202 A C 1.653 179.239 177.584 0.003 0.000 1.053 202 A CA 0.886 52.924 52.037 0.003 0.000 0.755 202 A CB -0.728 18.273 19.000 0.003 0.000 0.980 202 A HN 2.786 nan 8.150 nan 0.000 0.506 203 G N 1.128 109.930 108.800 0.003 0.000 2.159 203 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.256 203 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.256 203 G C 0.545 175.446 174.900 0.003 0.000 0.977 203 G CA 1.050 46.152 45.100 0.003 0.000 0.652 203 G HN 2.204 nan 8.290 nan 0.000 0.531 204 S N -0.277 115.425 115.700 0.003 0.000 2.693 204 S HA 0.854 5.324 4.470 -0.000 0.000 0.276 204 S C 0.657 175.259 174.600 0.003 0.000 1.192 204 S CA 0.398 58.600 58.200 0.003 0.000 0.994 204 S CB 1.959 65.161 63.200 0.003 0.000 1.012 204 S HN 1.890 nan 8.310 nan 0.000 0.550 205 A N 1.512 124.333 122.820 0.003 0.000 2.407 205 A HA 0.355 4.675 4.320 -0.000 0.000 0.248 205 A C 0.371 177.958 177.584 0.005 0.000 1.082 205 A CA -0.499 51.540 52.037 0.004 0.000 0.785 205 A CB -0.372 18.630 19.000 0.003 0.000 1.020 205 A HN 0.821 nan 8.150 nan 0.000 0.489 206 N N 1.263 119.966 118.700 0.005 0.000 2.420 206 N HA 0.169 4.909 4.740 -0.000 0.000 0.249 206 N C 0.486 176.001 175.510 0.008 0.000 1.033 206 N CA 0.460 53.514 53.050 0.007 0.000 0.944 206 N CB 0.815 39.307 38.487 0.008 0.000 1.113 206 N HN 0.628 nan 8.380 nan 0.000 0.502 207 T N 1.060 115.619 114.554 0.009 0.000 3.174 207 T HA 0.158 4.508 4.350 -0.000 0.000 0.269 207 T C 0.715 175.423 174.700 0.013 0.000 1.017 207 T CA -0.519 61.587 62.100 0.010 0.000 0.899 207 T CB -0.225 68.648 68.868 0.008 0.000 1.077 207 T HN 0.254 nan 8.240 nan 0.000 0.552 208 L N 2.650 123.881 121.223 0.014 0.000 2.525 208 L HA 0.410 4.750 4.340 -0.000 0.000 0.278 208 L C -0.591 176.294 176.870 0.025 0.000 1.218 208 L CA 0.336 55.186 54.840 0.017 0.000 0.878 208 L CB 0.565 42.633 42.059 0.016 0.000 1.127 208 L HN 0.152 nan 8.230 nan 0.000 0.492 209 V N 6.752 126.683 119.914 0.027 0.000 2.638 209 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 209 V C -0.204 175.911 176.094 0.035 0.000 1.052 209 V CA -0.520 61.804 62.300 0.041 0.000 0.885 209 V CB 1.874 33.721 31.823 0.041 0.000 0.999 209 V HN 0.576 nan 8.190 nan 0.000 0.424 210 I N 3.948 124.548 120.570 0.050 0.000 2.382 210 I HA 0.544 4.714 4.170 -0.000 0.000 0.286 210 I C -0.819 175.305 176.117 0.012 0.000 1.002 210 I CA -0.125 61.191 61.300 0.027 0.000 1.135 210 I CB 1.731 39.748 38.000 0.029 0.000 1.288 210 I HN 0.633 nan 8.210 nan 0.000 0.448 211 D N 5.009 125.393 120.400 -0.027 0.000 2.531 211 D HA 0.470 5.109 4.640 -0.000 0.000 0.244 211 D C -0.883 175.357 176.300 -0.100 0.000 1.090 211 D CA -0.757 53.196 54.000 -0.078 0.000 0.989 211 D CB 2.197 42.976 40.800 -0.035 0.000 1.433 211 D HN 0.413 nan 8.370 nan 0.000 0.492 212 R N 1.866 122.281 120.500 -0.141 0.000 2.472 212 R HA 0.459 4.799 4.340 -0.000 0.000 0.294 212 R C -2.614 173.630 176.300 -0.094 0.000 1.243 212 R CA -1.705 54.327 56.100 -0.113 0.000 1.023 212 R CB 1.311 31.534 30.300 -0.129 0.000 1.157 212 R HN 0.240 nan 8.270 nan 0.000 0.530 213 P HA -0.156 nan 4.420 nan 0.000 0.265 213 P C -0.298 176.978 177.300 -0.040 0.000 1.187 213 P CA -0.094 62.979 63.100 -0.045 0.000 0.766 213 P CB 0.673 32.352 31.700 -0.034 0.000 0.820 214 V N 3.987 123.886 119.914 -0.026 0.000 2.617 214 V HA 0.238 4.358 4.120 -0.000 0.000 0.304 214 V C 1.395 177.485 176.094 -0.008 0.000 1.040 214 V CA 1.838 64.131 62.300 -0.011 0.000 1.149 214 V CB -0.588 31.239 31.823 0.006 0.000 0.914 214 V HN 0.982 nan 8.190 nan 0.000 0.487 215 G N 3.637 112.436 108.800 -0.002 0.000 2.159 215 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.256 215 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.256 215 G C 0.296 175.188 174.900 -0.014 0.000 0.977 215 G CA 0.880 45.980 45.100 -0.001 0.000 0.652 215 G HN 1.762 nan 8.290 nan 0.000 0.531 216 T N -3.225 111.314 114.554 -0.026 0.000 2.858 216 T HA 0.665 5.015 4.350 -0.000 0.000 0.285 216 T C -0.086 174.581 174.700 -0.056 0.000 1.052 216 T CA -0.073 62.002 62.100 -0.042 0.000 1.009 216 T CB 2.104 70.944 68.868 -0.047 0.000 1.241 216 T HN 0.279 nan 8.240 nan 0.000 0.542 217 N N -0.015 118.633 118.700 -0.087 0.000 2.553 217 N HA 0.308 5.048 4.740 -0.000 0.000 0.298 217 N C -1.268 174.159 175.510 -0.137 0.000 1.596 217 N CA -0.328 52.648 53.050 -0.124 0.000 0.910 217 N CB 0.403 38.764 38.487 -0.211 0.000 1.336 217 N HN 0.687 nan 8.380 nan 0.000 0.497 218 T N 1.168 115.665 114.554 -0.095 0.000 2.786 218 T HA 0.399 4.749 4.350 -0.000 0.000 0.283 218 T C -0.030 174.629 174.700 -0.068 0.000 0.992 218 T CA -0.499 61.551 62.100 -0.083 0.000 0.954 218 T CB 1.103 69.930 68.868 -0.067 0.000 0.934 218 T HN -0.007 nan 8.240 nan 0.000 0.440 219 I N 3.300 123.834 120.570 -0.061 0.000 2.352 219 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 219 I C 0.623 176.715 176.117 -0.041 0.000 1.036 219 I CA -0.718 60.551 61.300 -0.051 0.000 1.336 219 I CB 0.384 38.360 38.000 -0.039 0.000 1.407 219 I HN 0.683 nan 8.210 nan 0.000 0.497 220 A N 7.515 130.311 122.820 -0.039 0.000 2.271 220 A HA 0.670 4.990 4.320 -0.000 0.000 0.317 220 A C -0.460 177.113 177.584 -0.018 0.000 1.245 220 A CA -0.474 51.547 52.037 -0.028 0.000 0.857 220 A CB 0.842 19.825 19.000 -0.028 0.000 1.175 220 A HN 0.435 nan 8.150 nan 0.000 0.512 221 V N 3.064 122.972 119.914 -0.011 0.000 2.417 221 V HA 0.742 4.862 4.120 -0.000 0.000 0.291 221 V C 0.451 176.545 176.094 -0.001 0.000 1.024 221 V CA 0.079 62.377 62.300 -0.003 0.000 0.861 221 V CB 1.293 33.115 31.823 -0.002 0.000 0.985 221 V HN 1.152 nan 8.190 nan 0.000 0.436 222 T N 0.849 115.405 114.554 0.005 0.000 2.812 222 T HA 0.932 5.281 4.350 -0.000 0.000 0.294 222 T C 0.087 174.792 174.700 0.008 0.000 1.159 222 T CA -0.031 62.072 62.100 0.005 0.000 1.008 222 T CB 1.739 70.610 68.868 0.005 0.000 1.289 222 T HN 2.047 nan 8.240 nan 0.000 0.514 223 G N 0.332 109.136 108.800 0.007 0.000 2.698 223 G HA2 0.253 4.213 3.960 -0.000 0.000 0.225 223 G HA3 0.253 4.213 3.960 -0.000 0.000 0.225 223 G C -0.306 174.598 174.900 0.007 0.000 1.345 223 G CA -0.102 45.002 45.100 0.008 0.000 0.871 223 G HN 1.833 nan 8.290 nan 0.000 0.540 224 S N -1.192 114.512 115.700 0.007 0.000 2.532 224 S HA 0.666 5.136 4.470 -0.000 0.000 0.299 224 S C -0.843 173.761 174.600 0.007 0.000 1.105 224 S CA -0.384 57.819 58.200 0.006 0.000 1.018 224 S CB 1.440 64.643 63.200 0.005 0.000 1.021 224 S HN 1.705 nan 8.310 nan 0.000 0.483 225 L N 6.296 127.523 121.223 0.006 0.000 2.305 225 L HA 0.645 4.985 4.340 -0.000 0.000 0.284 225 L C -2.555 174.318 176.870 0.006 0.000 1.013 225 L CA -1.873 52.971 54.840 0.007 0.000 0.819 225 L CB 1.309 43.372 42.059 0.007 0.000 1.227 225 L HN 0.443 nan 8.230 nan 0.000 0.417 226 P HA -0.001 nan 4.420 nan 0.000 0.261 226 P C 0.050 177.353 177.300 0.005 0.000 1.173 226 P CA 0.389 63.492 63.100 0.005 0.000 0.760 226 P CB 0.767 32.470 31.700 0.005 0.000 0.783 227 A N 4.393 127.215 122.820 0.004 0.000 1.978 227 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 227 A C 1.524 179.111 177.584 0.004 0.000 1.170 227 A CA 1.954 53.994 52.037 0.004 0.000 0.636 227 A CB -0.895 18.107 19.000 0.003 0.000 0.810 227 A HN 0.648 nan 8.150 nan 0.000 0.448 228 D N -0.283 120.120 120.400 0.004 0.000 2.328 228 D HA 0.344 4.983 4.640 -0.000 0.000 0.221 228 D C 0.632 176.935 176.300 0.005 0.000 1.072 228 D CA 0.543 54.545 54.000 0.004 0.000 0.850 228 D CB -0.372 40.430 40.800 0.004 0.000 0.922 228 D HN 0.360 nan 8.370 nan 0.000 0.516 229 A N 0.511 123.334 122.820 0.005 0.000 2.351 229 A HA 0.571 4.891 4.320 -0.000 0.000 0.257 229 A C 0.555 178.143 177.584 0.007 0.000 1.087 229 A CA -0.103 51.937 52.037 0.006 0.000 0.798 229 A CB 0.548 19.552 19.000 0.006 0.000 1.033 229 A HN 0.337 nan 8.150 nan 0.000 0.488 230 A N 1.857 124.681 122.820 0.007 0.000 2.287 230 A HA 0.652 4.972 4.320 -0.000 0.000 0.273 230 A C -2.289 175.301 177.584 0.009 0.000 1.091 230 A CA -1.420 50.622 52.037 0.008 0.000 0.817 230 A CB -0.686 18.319 19.000 0.008 0.000 1.069 230 A HN 0.661 nan 8.150 nan 0.000 0.492 231 P HA 0.222 nan 4.420 nan 0.000 0.266 231 P C -0.838 176.469 177.300 0.012 0.000 1.195 231 P CA -0.006 63.101 63.100 0.011 0.000 0.768 231 P CB 0.434 32.142 31.700 0.012 0.000 0.838 232 V N 3.645 123.566 119.914 0.012 0.000 2.439 232 V HA 0.356 4.476 4.120 -0.000 0.000 0.282 232 V C 0.268 176.370 176.094 0.014 0.000 1.039 232 V CA 0.184 62.492 62.300 0.013 0.000 0.913 232 V CB 1.502 33.334 31.823 0.014 0.000 0.983 232 V HN 0.539 nan 8.190 nan 0.000 0.460 233 T N 4.458 119.020 114.554 0.013 0.000 2.890 233 T HA 0.757 5.107 4.350 -0.000 0.000 0.295 233 T C -0.403 174.301 174.700 0.006 0.000 0.993 233 T CA -0.277 61.830 62.100 0.011 0.000 0.979 233 T CB 1.478 70.356 68.868 0.016 0.000 0.967 233 T HN 0.950 nan 8.240 nan 0.000 0.441 234 A N 3.372 126.191 122.820 -0.001 0.000 2.539 234 A HA 0.877 5.197 4.320 -0.000 0.000 0.296 234 A C -1.251 176.314 177.584 -0.032 0.000 1.073 234 A CA -0.783 51.254 52.037 -0.000 0.000 0.700 234 A CB 1.209 20.229 19.000 0.033 0.000 1.296 234 A HN 0.773 nan 8.150 nan 0.000 0.405 235 L N 1.945 123.143 121.223 -0.041 0.000 2.307 235 L HA 0.631 4.971 4.340 -0.000 0.000 0.282 235 L C 0.159 177.010 176.870 -0.032 0.000 1.051 235 L CA -0.688 54.099 54.840 -0.089 0.000 0.804 235 L CB 0.950 42.931 42.059 -0.129 0.000 1.197 235 L HN 0.648 nan 8.230 nan 0.000 0.431 236 R N 0.646 121.113 120.500 -0.055 0.000 2.771 236 R HA 0.471 4.811 4.340 -0.000 0.000 0.274 236 R C -0.505 175.759 176.300 -0.060 0.000 0.987 236 R CA -0.711 55.348 56.100 -0.068 0.000 0.908 236 R CB 2.267 32.521 30.300 -0.077 0.000 1.213 236 R HN 0.729 nan 8.270 nan 0.000 0.468 237 T N -1.946 112.558 114.554 -0.083 0.000 2.849 237 T HA 0.545 4.895 4.350 -0.000 0.000 0.284 237 T C 0.621 175.316 174.700 -0.009 0.000 1.004 237 T CA -0.591 61.486 62.100 -0.038 0.000 1.021 237 T CB 1.086 69.922 68.868 -0.054 0.000 1.013 237 T HN 0.406 nan 8.240 nan 0.000 0.527 238 V N -1.296 118.646 119.914 0.047 0.000 3.141 238 V HA 0.701 4.821 4.120 -0.000 0.000 0.312 238 V C -0.853 175.306 176.094 0.109 0.000 1.157 238 V CA -1.233 61.123 62.300 0.094 0.000 1.041 238 V CB 1.764 33.721 31.823 0.224 0.000 1.071 238 V HN 0.979 nan 8.190 nan 0.000 0.441 239 D N 1.361 121.828 120.400 0.112 0.000 2.302 239 D HA 0.292 4.932 4.640 -0.000 0.000 0.248 239 D C -0.126 176.285 176.300 0.185 0.000 1.094 239 D CA 0.702 54.767 54.000 0.108 0.000 0.897 239 D CB 0.510 41.341 40.800 0.051 0.000 1.200 239 D HN 0.805 nan 8.370 nan 0.000 0.429 240 E N 2.311 122.597 120.200 0.143 0.000 2.937 240 E HA -0.147 4.203 4.350 -0.000 0.000 0.152 240 E C -1.958 174.711 176.600 0.115 0.000 1.769 240 E CA 0.062 56.545 56.400 0.138 0.000 0.688 240 E CB -0.777 29.019 29.700 0.161 0.000 1.091 240 E HN 0.493 nan 8.360 nan 0.000 0.362 241 P HA -0.233 nan 4.420 nan 0.000 0.215 241 P C 1.435 178.732 177.300 -0.006 0.000 1.157 241 P CA 2.328 65.454 63.100 0.042 0.000 0.874 241 P CB 0.125 31.863 31.700 0.063 0.000 0.790 242 A N 0.093 122.922 122.820 0.015 0.000 1.903 242 A HA -0.252 4.067 4.320 -0.000 0.000 0.219 242 A C 2.359 179.925 177.584 -0.030 0.000 1.191 242 A CA 2.649 54.684 52.037 -0.003 0.000 0.638 242 A CB -1.723 17.292 19.000 0.024 0.000 0.823 242 A HN 0.224 nan 8.150 nan 0.000 0.451 243 A N -0.894 121.914 122.820 -0.020 0.000 1.933 243 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 243 A C 2.130 179.521 177.584 -0.321 0.000 1.175 243 A CA 1.718 53.721 52.037 -0.057 0.000 0.628 243 A CB -0.569 18.497 19.000 0.109 0.000 0.814 243 A HN 0.772 nan 8.150 nan 0.000 0.444 244 L N -0.138 120.768 121.223 -0.529 0.000 2.046 244 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 244 L C 2.629 179.365 176.870 -0.222 0.000 1.077 244 L CA 2.220 56.652 54.840 -0.680 0.000 0.747 244 L CB -0.807 40.993 42.059 -0.432 0.000 0.896 244 L HN 0.327 nan 8.230 nan 0.000 0.432 245 A N -0.555 122.192 122.820 -0.122 0.000 1.940 245 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 245 A C 2.309 179.895 177.584 0.004 0.000 1.176 245 A CA 1.634 53.646 52.037 -0.043 0.000 0.631 245 A CB -1.527 17.442 19.000 -0.051 0.000 0.814 245 A HN 0.555 nan 8.150 nan 0.000 0.446 246 G N -1.553 107.243 108.800 -0.007 0.000 2.394 246 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.215 246 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.215 246 G C 1.451 176.402 174.900 0.084 0.000 1.165 246 G CA 1.244 46.377 45.100 0.055 0.000 0.784 246 G HN 0.734 nan 8.290 nan 0.000 0.535 247 H N 0.740 119.769 119.070 -0.069 0.000 2.319 247 H HA 0.019 4.575 4.556 -0.000 0.000 0.299 247 H C 2.494 177.815 175.328 -0.012 0.000 1.092 247 H CA 1.665 57.684 56.048 -0.049 0.000 1.302 247 H CB -0.324 29.359 29.762 -0.131 0.000 1.373 247 H HN 0.258 nan 8.280 nan 0.000 0.497 248 L N -1.166 120.033 121.223 -0.039 0.000 1.994 248 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 248 L C 2.324 179.189 176.870 -0.008 0.000 1.071 248 L CA 1.438 56.245 54.840 -0.054 0.000 0.745 248 L CB -0.636 41.441 42.059 0.031 0.000 0.892 248 L HN 0.262 nan 8.230 nan 0.000 0.431 249 F N 0.941 120.834 119.950 -0.095 0.000 2.161 249 F HA -0.235 4.291 4.527 -0.000 0.000 0.300 249 F C 2.611 178.358 175.800 -0.089 0.000 1.089 249 F CA 1.757 59.710 58.000 -0.077 0.000 1.282 249 F CB -0.228 38.740 39.000 -0.054 0.000 1.010 249 F HN 0.140 nan 8.300 nan 0.000 0.485 250 E N 0.143 120.306 120.200 -0.060 0.000 2.077 250 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 250 E C 1.967 178.443 176.600 -0.208 0.000 0.989 250 E CA 1.571 57.884 56.400 -0.145 0.000 0.800 250 E CB -0.160 29.486 29.700 -0.090 0.000 0.746 250 E HN 0.576 nan 8.360 nan 0.000 0.452 251 E N -0.050 120.014 120.200 -0.226 0.000 2.204 251 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 251 E C 1.930 178.418 176.600 -0.186 0.000 0.989 251 E CA 0.685 56.960 56.400 -0.207 0.000 0.824 251 E CB -0.012 29.547 29.700 -0.236 0.000 0.756 251 E HN 0.285 nan 8.360 nan 0.000 0.477 252 A N 1.068 123.756 122.820 -0.221 0.000 1.968 252 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 252 A C 2.129 179.532 177.584 -0.302 0.000 1.169 252 A CA 0.679 52.576 52.037 -0.233 0.000 0.638 252 A CB -0.327 18.536 19.000 -0.229 0.000 0.812 252 A HN 0.109 nan 8.150 nan 0.000 0.446 253 L N -0.684 120.298 121.223 -0.401 0.000 2.109 253 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 253 L C 2.276 179.023 176.870 -0.204 0.000 1.086 253 L CA 0.831 55.460 54.840 -0.353 0.000 0.760 253 L CB -0.356 41.469 42.059 -0.391 0.000 0.910 253 L HN 0.304 nan 8.230 nan 0.000 0.437 254 E N -0.711 119.384 120.200 -0.174 0.000 2.347 254 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 254 E C 2.219 178.757 176.600 -0.103 0.000 1.008 254 E CA 0.711 57.039 56.400 -0.119 0.000 0.852 254 E CB 0.150 29.787 29.700 -0.105 0.000 0.783 254 E HN 0.251 nan 8.360 nan 0.000 0.505 255 S N 0.814 116.443 115.700 -0.118 0.000 2.404 255 S HA 0.010 4.480 4.470 -0.000 0.000 0.223 255 S C 1.427 175.976 174.600 -0.085 0.000 1.040 255 S CA 0.246 58.390 58.200 -0.092 0.000 0.957 255 S CB 0.087 63.231 63.200 -0.093 0.000 0.826 255 S HN 0.178 nan 8.310 nan 0.000 0.491 256 N N 0.894 119.530 118.700 -0.106 0.000 2.383 256 N HA 0.121 4.861 4.740 -0.000 0.000 0.192 256 N C 0.884 176.350 175.510 -0.074 0.000 1.141 256 N CA 0.791 53.789 53.050 -0.087 0.000 0.851 256 N CB 0.635 39.061 38.487 -0.102 0.000 0.976 256 N HN 0.565 nan 8.380 nan 0.000 0.465 257 G N 0.102 108.858 108.800 -0.073 0.000 2.130 257 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.216 257 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.216 257 G C -0.346 174.518 174.900 -0.061 0.000 0.999 257 G CA -0.241 44.825 45.100 -0.058 0.000 0.686 257 G HN 0.149 nan 8.290 nan 0.000 0.515 258 V N 1.243 121.107 119.914 -0.082 0.000 2.407 258 V HA 0.587 4.707 4.120 -0.000 0.000 0.291 258 V C 0.567 176.612 176.094 -0.082 0.000 1.018 258 V CA -0.396 61.856 62.300 -0.081 0.000 0.842 258 V CB 1.572 33.332 31.823 -0.105 0.000 0.996 258 V HN 0.295 nan 8.190 nan 0.000 0.426 259 T N 4.454 118.972 114.554 -0.059 0.000 2.869 259 T HA 0.470 4.820 4.350 -0.000 0.000 0.295 259 T C -0.071 174.598 174.700 -0.051 0.000 0.987 259 T CA -0.206 61.862 62.100 -0.053 0.000 1.109 259 T CB 1.408 70.253 68.868 -0.038 0.000 0.932 259 T HN 0.392 nan 8.240 nan 0.000 0.518 260 V N 4.899 124.780 119.914 -0.055 0.000 2.326 260 V HA 0.269 4.389 4.120 -0.000 0.000 0.281 260 V C 1.006 177.074 176.094 -0.043 0.000 1.015 260 V CA -0.632 61.637 62.300 -0.052 0.000 0.823 260 V CB 1.241 33.025 31.823 -0.066 0.000 1.009 260 V HN 0.851 nan 8.190 nan 0.000 0.436 261 K N 2.625 123.004 120.400 -0.034 0.000 2.305 261 K HA 0.134 4.454 4.320 -0.000 0.000 0.199 261 K C 1.340 177.922 176.600 -0.030 0.000 1.047 261 K CA 0.774 57.045 56.287 -0.027 0.000 0.976 261 K CB 0.406 32.895 32.500 -0.017 0.000 0.765 261 K HN 0.786 nan 8.250 nan 0.000 0.474 262 G N 0.893 109.667 108.800 -0.044 0.000 2.509 262 G HA2 0.072 4.032 3.960 -0.000 0.000 0.269 262 G HA3 0.072 4.032 3.960 -0.000 0.000 0.269 262 G C -0.380 174.477 174.900 -0.072 0.000 1.416 262 G CA -0.492 44.573 45.100 -0.058 0.000 1.052 262 G HN -0.023 nan 8.290 nan 0.000 0.542 263 D N -1.305 119.035 120.400 -0.102 0.000 2.387 263 D HA 0.454 5.094 4.640 -0.000 0.000 0.255 263 D C -0.338 175.868 176.300 -0.157 0.000 1.081 263 D CA -0.173 53.770 54.000 -0.093 0.000 0.994 263 D CB 2.151 42.911 40.800 -0.066 0.000 1.127 263 D HN 0.014 nan 8.370 nan 0.000 0.513 264 V N -0.054 119.807 119.914 -0.087 0.000 2.547 264 V HA 0.774 4.893 4.120 -0.000 0.000 0.299 264 V C 0.731 176.792 176.094 -0.055 0.000 1.040 264 V CA -0.101 62.149 62.300 -0.084 0.000 0.913 264 V CB 1.421 33.257 31.823 0.021 0.000 0.992 264 V HN 0.810 nan 8.190 nan 0.000 0.449 265 G N 3.180 111.940 108.800 -0.065 0.000 2.428 265 G HA2 0.511 4.471 3.960 -0.000 0.000 0.304 265 G HA3 0.511 4.471 3.960 -0.000 0.000 0.304 265 G C -1.845 173.162 174.900 0.179 0.000 1.303 265 G CA -0.904 44.234 45.100 0.063 0.000 0.825 265 G HN 0.574 nan 8.290 nan 0.000 0.484 266 L N 0.050 121.407 121.223 0.223 0.000 2.360 266 L HA 0.831 5.171 4.340 -0.000 0.000 0.271 266 L C 0.713 177.721 176.870 0.229 0.000 1.057 266 L CA -0.201 54.763 54.840 0.206 0.000 0.803 266 L CB 1.747 43.880 42.059 0.123 0.000 1.207 266 L HN 1.172 nan 8.230 nan 0.000 0.445 267 G N 0.410 109.279 108.800 0.114 0.000 2.405 267 G HA2 0.438 4.398 3.960 -0.000 0.000 0.303 267 G HA3 0.438 4.398 3.960 -0.000 0.000 0.303 267 G C -1.169 173.754 174.900 0.039 0.000 1.644 267 G CA -0.339 44.708 45.100 -0.088 0.000 0.899 267 G HN 0.817 nan 8.290 nan 0.000 0.667 268 G N -0.602 108.164 108.800 -0.057 0.000 2.412 268 G HA2 0.636 4.596 3.960 -0.000 0.000 0.318 268 G HA3 0.636 4.596 3.960 -0.000 0.000 0.318 268 G C 0.246 174.893 174.900 -0.422 0.000 1.146 268 G CA -0.535 44.498 45.100 -0.113 0.000 0.882 268 G HN 1.234 nan 8.290 nan 0.000 0.501 269 V N 3.014 122.529 119.914 -0.666 0.000 2.584 269 V HA -0.022 4.098 4.120 -0.000 0.000 0.303 269 V C -0.712 174.795 176.094 -0.978 0.000 1.035 269 V CA -0.303 61.249 62.300 -1.246 0.000 1.172 269 V CB 1.107 32.432 31.823 -0.829 0.000 0.896 269 V HN 0.673 nan 8.190 nan 0.000 0.486 270 P HA -0.350 nan 4.420 nan 0.000 0.221 270 P C 1.267 178.265 177.300 -0.503 0.000 1.151 270 P CA 2.245 64.825 63.100 -0.868 0.000 0.843 270 P CB 0.037 30.979 31.700 -1.264 0.000 0.778 271 A N -0.773 121.770 122.820 -0.462 0.000 3.870 271 A HA -0.326 3.994 4.320 -0.000 0.000 0.246 271 A C 1.631 179.173 177.584 -0.070 0.000 0.669 271 A CA 1.921 53.839 52.037 -0.198 0.000 1.221 271 A CB -2.597 16.311 19.000 -0.152 0.000 1.199 271 A HN 0.478 nan 8.150 nan 0.000 0.685 272 D N -1.515 118.854 120.400 -0.052 0.000 2.363 272 D HA -0.015 4.625 4.640 -0.000 0.000 0.226 272 D C 0.121 176.561 176.300 0.232 0.000 1.020 272 D CA 0.228 54.272 54.000 0.074 0.000 0.892 272 D CB -0.454 40.392 40.800 0.076 0.000 0.900 272 D HN 0.621 nan 8.370 nan 0.000 0.531 273 W N 3.106 124.376 121.300 -0.050 0.000 2.581 273 W HA 0.216 4.876 4.660 -0.000 0.000 0.359 273 W C 1.504 178.003 176.519 -0.034 0.000 1.167 273 W CA -1.035 56.284 57.345 -0.044 0.000 1.517 273 W CB -0.172 29.248 29.460 -0.068 0.000 1.519 273 W HN 0.120 nan 8.180 nan 0.000 0.431 274 Q N 0.694 120.585 119.800 0.151 0.000 2.152 274 Q HA -0.209 4.130 4.340 -0.000 0.000 0.206 274 Q C -0.055 175.985 176.000 0.065 0.000 0.985 274 Q CA 1.388 57.239 55.803 0.080 0.000 0.863 274 Q CB 0.104 28.867 28.738 0.042 0.000 0.904 274 Q HN 0.315 nan 8.270 nan 0.000 0.422 275 D N -0.827 119.606 120.400 0.055 0.000 2.351 275 D HA 0.406 5.046 4.640 -0.000 0.000 0.235 275 D C -1.536 174.772 176.300 0.014 0.000 1.331 275 D CA -0.105 53.915 54.000 0.034 0.000 0.959 275 D CB 0.883 41.686 40.800 0.005 0.000 1.432 275 D HN 0.283 nan 8.370 nan 0.000 0.544 276 A N 2.578 125.448 122.820 0.082 0.000 2.313 276 A HA 0.602 4.922 4.320 -0.000 0.000 0.261 276 A C 0.131 177.737 177.584 0.036 0.000 1.090 276 A CA -0.398 51.687 52.037 0.082 0.000 0.807 276 A CB 0.806 20.006 19.000 0.332 0.000 1.055 276 A HN 0.471 nan 8.150 nan 0.000 0.492 277 E N 0.360 120.569 120.200 0.016 0.000 2.151 277 E HA 0.475 4.825 4.350 -0.000 0.000 0.275 277 E C -1.350 175.282 176.600 0.054 0.000 0.936 277 E CA -0.337 56.073 56.400 0.017 0.000 0.777 277 E CB 1.309 31.001 29.700 -0.013 0.000 1.108 277 E HN 0.278 nan 8.360 nan 0.000 0.401 278 V N 7.679 127.618 119.914 0.041 0.000 2.339 278 V HA 0.100 4.220 4.120 -0.000 0.000 0.261 278 V C 1.119 177.238 176.094 0.042 0.000 1.058 278 V CA -0.040 62.286 62.300 0.044 0.000 0.897 278 V CB 0.334 32.169 31.823 0.020 0.000 1.052 278 V HN 0.814 nan 8.190 nan 0.000 0.480 279 L N 3.624 124.884 121.223 0.062 0.000 2.049 279 L HA 0.289 4.629 4.340 -0.000 0.000 0.203 279 L C 1.230 178.139 176.870 0.064 0.000 1.074 279 L CA 1.331 56.208 54.840 0.062 0.000 0.749 279 L CB -0.198 41.910 42.059 0.083 0.000 0.907 279 L HN 0.692 nan 8.230 nan 0.000 0.439 280 A N -0.261 122.608 122.820 0.081 0.000 2.435 280 A HA 0.662 4.982 4.320 -0.000 0.000 0.296 280 A C -1.659 175.957 177.584 0.054 0.000 1.147 280 A CA -0.369 51.717 52.037 0.082 0.000 0.775 280 A CB 1.401 20.483 19.000 0.137 0.000 1.340 280 A HN 0.296 nan 8.150 nan 0.000 0.427 281 D N -0.528 119.906 120.400 0.057 0.000 2.734 281 D HA 0.384 5.024 4.640 -0.000 0.000 0.224 281 D C -1.414 174.937 176.300 0.085 0.000 1.222 281 D CA -0.291 53.731 54.000 0.035 0.000 0.761 281 D CB 0.563 41.360 40.800 -0.006 0.000 1.569 281 D HN 0.598 nan 8.370 nan 0.000 0.477 282 H N -0.316 118.730 119.070 -0.039 0.000 2.679 282 H HA 0.769 5.325 4.556 -0.000 0.000 0.367 282 H C -1.180 174.123 175.328 -0.042 0.000 1.162 282 H CA -0.104 55.928 56.048 -0.028 0.000 1.181 282 H CB 2.277 32.029 29.762 -0.018 0.000 1.693 282 H HN 0.327 nan 8.280 nan 0.000 0.538 283 T N 3.039 117.176 114.554 -0.696 0.000 2.890 283 T HA 0.289 4.639 4.350 -0.000 0.000 0.295 283 T C -0.379 174.004 174.700 -0.528 0.000 0.993 283 T CA -0.627 61.208 62.100 -0.443 0.000 0.979 283 T CB 0.579 69.282 68.868 -0.274 0.000 0.967 283 T HN 0.778 nan 8.240 nan 0.000 0.441 284 S N 3.026 118.575 115.700 -0.252 0.000 2.612 284 S HA 0.670 5.139 4.470 -0.000 0.000 0.253 284 S C 0.905 175.459 174.600 -0.077 0.000 1.346 284 S CA -0.527 57.615 58.200 -0.097 0.000 0.976 284 S CB 0.339 63.570 63.200 0.052 0.000 0.949 284 S HN 0.905 nan 8.310 nan 0.000 0.584 285 A N 0.379 123.188 122.820 -0.019 0.000 2.267 285 A HA 0.418 4.738 4.320 -0.000 0.000 0.271 285 A C 0.645 178.234 177.584 0.008 0.000 1.131 285 A CA -0.619 51.416 52.037 -0.003 0.000 0.818 285 A CB -0.297 18.720 19.000 0.028 0.000 1.118 285 A HN 0.869 nan 8.150 nan 0.000 0.501 286 E N -0.676 119.531 120.200 0.012 0.000 2.409 286 E HA 0.043 4.392 4.350 -0.000 0.000 0.257 286 E C 0.884 177.526 176.600 0.070 0.000 1.150 286 E CA -0.401 56.007 56.400 0.014 0.000 0.942 286 E CB 0.465 30.179 29.700 0.023 0.000 0.979 286 E HN 0.564 nan 8.360 nan 0.000 0.447 287 L N 2.630 123.903 121.223 0.083 0.000 2.017 287 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 287 L C 2.420 179.366 176.870 0.127 0.000 1.073 287 L CA 2.421 57.348 54.840 0.145 0.000 0.745 287 L CB -0.882 41.252 42.059 0.125 0.000 0.894 287 L HN 0.696 nan 8.230 nan 0.000 0.432 288 S N -0.800 114.962 115.700 0.102 0.000 2.381 288 S HA -0.282 4.188 4.470 -0.000 0.000 0.230 288 S C 1.771 176.446 174.600 0.125 0.000 1.052 288 S CA 1.641 59.909 58.200 0.112 0.000 1.068 288 S CB -0.874 62.390 63.200 0.106 0.000 0.918 288 S HN 0.610 nan 8.310 nan 0.000 0.448 289 E N 1.436 121.706 120.200 0.117 0.000 2.152 289 E HA 0.111 4.461 4.350 -0.000 0.000 0.192 289 E C 2.226 178.925 176.600 0.165 0.000 0.983 289 E CA 0.829 57.310 56.400 0.134 0.000 0.818 289 E CB -0.513 29.256 29.700 0.114 0.000 0.758 289 E HN 0.658 nan 8.360 nan 0.000 0.467 290 I N 1.020 121.673 120.570 0.140 0.000 2.315 290 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 290 I C 2.337 178.604 176.117 0.249 0.000 1.117 290 I CA 0.677 62.056 61.300 0.133 0.000 1.404 290 I CB -0.315 37.716 38.000 0.051 0.000 1.071 290 I HN 0.022 nan 8.210 nan 0.000 0.419 291 L N 0.120 121.493 121.223 0.249 0.000 2.263 291 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 291 L C 2.409 179.401 176.870 0.203 0.000 1.111 291 L CA 0.809 55.823 54.840 0.290 0.000 0.773 291 L CB -0.605 41.563 42.059 0.183 0.000 0.906 291 L HN 0.122 nan 8.230 nan 0.000 0.439 292 V N 0.528 120.564 119.914 0.202 0.000 2.221 292 V HA -0.154 3.966 4.120 -0.000 0.000 0.240 292 V C -0.165 176.022 176.094 0.154 0.000 1.041 292 V CA 2.081 64.475 62.300 0.156 0.000 0.991 292 V CB -1.743 30.230 31.823 0.249 0.000 0.634 292 V HN 0.357 nan 8.190 nan 0.000 0.450 293 P HA -0.224 nan 4.420 nan 0.000 0.221 293 P C 1.709 179.285 177.300 0.461 0.000 1.145 293 P CA 1.808 65.188 63.100 0.466 0.000 0.795 293 P CB -0.169 31.972 31.700 0.735 0.000 0.775 294 F N 0.460 120.573 119.950 0.272 0.000 2.074 294 F HA -0.115 4.412 4.527 -0.000 0.000 0.293 294 F C 2.147 177.983 175.800 0.060 0.000 1.116 294 F CA 1.047 59.186 58.000 0.233 0.000 1.212 294 F CB -0.213 38.948 39.000 0.268 0.000 0.998 294 F HN -0.294 nan 8.300 nan 0.000 0.471 295 M N 0.288 119.708 119.600 -0.299 0.000 2.447 295 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 295 M C 1.751 177.826 176.300 -0.375 0.000 1.095 295 M CA 0.907 55.896 55.300 -0.518 0.000 1.125 295 M CB -0.820 31.469 32.600 -0.519 0.000 1.389 295 M HN 0.101 nan 8.290 nan 0.000 0.459 296 K N 0.150 120.316 120.400 -0.390 0.000 2.062 296 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 296 K C 1.551 177.708 176.600 -0.738 0.000 1.051 296 K CA 1.318 57.217 56.287 -0.647 0.000 0.941 296 K CB -0.248 31.664 32.500 -0.981 0.000 0.719 296 K HN 0.289 nan 8.250 nan 0.000 0.440 297 F N 0.414 120.281 119.950 -0.139 0.000 2.695 297 F HA 0.208 4.735 4.527 -0.000 0.000 0.303 297 F C 0.777 176.527 175.800 -0.083 0.000 1.091 297 F CA -0.368 57.561 58.000 -0.118 0.000 1.300 297 F CB 0.025 38.950 39.000 -0.125 0.000 1.071 297 F HN -0.185 nan 8.300 nan 0.000 0.578 298 S N 1.225 116.933 115.700 0.014 0.000 3.797 298 S HA -0.304 4.166 4.470 -0.000 0.000 0.374 298 S C 0.161 174.827 174.600 0.109 0.000 0.970 298 S CA 0.236 58.438 58.200 0.003 0.000 1.177 298 S CB -2.132 61.048 63.200 -0.033 0.000 0.891 298 S HN 0.628 nan 8.310 nan 0.000 0.491 299 N N 1.296 120.112 118.700 0.192 0.000 2.427 299 N HA 0.184 4.924 4.740 -0.000 0.000 0.269 299 N C 1.250 176.865 175.510 0.174 0.000 1.235 299 N CA -0.130 52.971 53.050 0.084 0.000 0.934 299 N CB 0.348 38.678 38.487 -0.262 0.000 1.121 299 N HN 0.370 nan 8.380 nan 0.000 0.480 300 N N 2.989 121.762 118.700 0.121 0.000 2.142 300 N HA -0.098 4.641 4.740 -0.000 0.000 0.186 300 N C 1.735 177.359 175.510 0.189 0.000 1.023 300 N CA 1.116 54.260 53.050 0.156 0.000 0.852 300 N CB -0.455 38.074 38.487 0.069 0.000 0.998 300 N HN 0.713 nan 8.380 nan 0.000 0.424 301 G N 1.008 109.895 108.800 0.145 0.000 2.446 301 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 301 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 301 G C 1.239 176.260 174.900 0.201 0.000 1.168 301 G CA 0.913 46.133 45.100 0.200 0.000 0.771 301 G HN 0.349 nan 8.290 nan 0.000 0.551 302 H N 1.132 120.169 119.070 -0.055 0.000 2.319 302 H HA 0.014 4.570 4.556 -0.000 0.000 0.299 302 H C 2.896 177.933 175.328 -0.485 0.000 1.092 302 H CA 1.120 56.960 56.048 -0.346 0.000 1.302 302 H CB -0.931 28.485 29.762 -0.576 0.000 1.373 302 H HN 0.370 nan 8.280 nan 0.000 0.497 303 A N 1.445 124.152 122.820 -0.189 0.000 1.865 303 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 303 A C 2.273 179.916 177.584 0.099 0.000 1.191 303 A CA 1.931 53.987 52.037 0.033 0.000 0.623 303 A CB -0.232 19.020 19.000 0.420 0.000 0.826 303 A HN 0.332 nan 8.150 nan 0.000 0.444 304 E N -0.381 119.933 120.200 0.190 0.000 2.110 304 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 304 E C 2.027 178.577 176.600 -0.083 0.000 0.988 304 E CA 1.211 57.736 56.400 0.209 0.000 0.804 304 E CB -0.482 29.482 29.700 0.440 0.000 0.745 304 E HN 0.740 nan 8.360 nan 0.000 0.458 305 M N 0.040 119.610 119.600 -0.051 0.000 2.254 305 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 305 M C 2.307 178.553 176.300 -0.089 0.000 1.066 305 M CA 0.881 56.150 55.300 -0.052 0.000 1.123 305 M CB -0.132 32.490 32.600 0.037 0.000 1.388 305 M HN 0.053 nan 8.290 nan 0.000 0.425 306 L N -0.735 120.417 121.223 -0.118 0.000 1.994 306 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 306 L C 2.445 179.283 176.870 -0.054 0.000 1.071 306 L CA 0.987 55.789 54.840 -0.063 0.000 0.745 306 L CB -0.714 41.298 42.059 -0.078 0.000 0.892 306 L HN 0.094 nan 8.230 nan 0.000 0.431 307 V N 0.130 120.006 119.914 -0.064 0.000 2.278 307 V HA -0.370 3.750 4.120 -0.000 0.000 0.251 307 V C 2.445 178.394 176.094 -0.241 0.000 1.062 307 V CA 1.978 64.232 62.300 -0.077 0.000 1.038 307 V CB -0.581 31.253 31.823 0.018 0.000 0.646 307 V HN 0.433 nan 8.190 nan 0.000 0.447 308 K N -0.435 119.656 120.400 -0.516 0.000 2.283 308 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 308 K C 2.344 178.610 176.600 -0.556 0.000 1.048 308 K CA 1.348 57.107 56.287 -0.879 0.000 0.948 308 K CB -0.143 31.249 32.500 -1.847 0.000 0.742 308 K HN 0.426 nan 8.250 nan 0.000 0.458 309 S N 1.232 116.850 115.700 -0.138 0.000 2.377 309 S HA 0.019 4.489 4.470 -0.000 0.000 0.223 309 S C 1.858 176.491 174.600 0.056 0.000 1.030 309 S CA 0.611 58.945 58.200 0.225 0.000 0.970 309 S CB -0.048 63.399 63.200 0.412 0.000 0.830 309 S HN 0.199 nan 8.310 nan 0.000 0.473 310 I N 1.747 122.310 120.570 -0.013 0.000 2.423 310 I HA -0.170 4.000 4.170 -0.000 0.000 0.254 310 I C 2.440 178.522 176.117 -0.059 0.000 1.151 310 I CA 1.055 62.337 61.300 -0.030 0.000 1.421 310 I CB -0.555 37.432 38.000 -0.021 0.000 1.079 310 I HN 0.367 nan 8.210 nan 0.000 0.431 311 G N -0.524 108.207 108.800 -0.115 0.000 2.430 311 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 311 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 311 G C 1.606 176.413 174.900 -0.155 0.000 1.146 311 G CA 0.098 45.113 45.100 -0.142 0.000 0.793 311 G HN 0.238 nan 8.290 nan 0.000 0.537 312 Q N -0.046 119.648 119.800 -0.175 0.000 2.187 312 Q HA -0.014 4.326 4.340 -0.000 0.000 0.199 312 Q C 2.325 178.265 176.000 -0.100 0.000 0.957 312 Q CA 1.175 56.821 55.803 -0.263 0.000 0.857 312 Q CB 0.067 28.523 28.738 -0.470 0.000 0.929 312 Q HN 0.549 nan 8.270 nan 0.000 0.453 313 E N -0.183 120.009 120.200 -0.014 0.000 2.170 313 E HA -0.075 4.274 4.350 -0.000 0.000 0.191 313 E C 1.640 178.242 176.600 0.002 0.000 0.981 313 E CA 1.517 57.934 56.400 0.027 0.000 0.830 313 E CB 0.091 29.805 29.700 0.023 0.000 0.775 313 E HN 0.336 nan 8.360 nan 0.000 0.470 314 T N -3.323 111.219 114.554 -0.020 0.000 3.081 314 T HA 0.429 4.779 4.350 -0.000 0.000 0.250 314 T C 1.008 175.692 174.700 -0.026 0.000 1.100 314 T CA 0.384 62.475 62.100 -0.016 0.000 1.038 314 T CB 0.656 69.516 68.868 -0.014 0.000 0.962 314 T HN 0.109 nan 8.240 nan 0.000 0.516 315 A N -0.121 122.670 122.820 -0.047 0.000 2.574 315 A HA 0.662 4.982 4.320 -0.000 0.000 0.246 315 A C 1.292 178.827 177.584 -0.082 0.000 1.025 315 A CA 0.185 52.190 52.037 -0.054 0.000 1.043 315 A CB -0.478 18.489 19.000 -0.055 0.000 1.177 315 A HN 1.296 nan 8.150 nan 0.000 0.526 316 G N -0.113 108.623 108.800 -0.107 0.000 2.366 316 G HA2 0.245 4.204 3.960 -0.000 0.000 0.299 316 G HA3 0.245 4.204 3.960 -0.000 0.000 0.299 316 G C 0.264 175.033 174.900 -0.219 0.000 1.020 316 G CA 0.693 45.692 45.100 -0.167 0.000 1.026 316 G HN 2.150 nan 8.290 nan 0.000 0.512 317 A N -0.644 122.029 122.820 -0.244 0.000 2.509 317 A HA 0.762 5.082 4.320 -0.000 0.000 0.282 317 A C 0.337 177.762 177.584 -0.264 0.000 1.054 317 A CA 0.446 52.345 52.037 -0.230 0.000 0.820 317 A CB 1.008 19.920 19.000 -0.148 0.000 1.333 317 A HN 1.792 nan 8.150 nan 0.000 0.409 318 G N 2.548 111.174 108.800 -0.290 0.000 3.101 318 G HA2 0.484 4.444 3.960 -0.000 0.000 0.272 318 G HA3 0.484 4.444 3.960 -0.000 0.000 0.272 318 G C 0.229 174.869 174.900 -0.433 0.000 0.801 318 G CA 0.600 45.488 45.100 -0.352 0.000 1.978 318 G HN 1.322 nan 8.290 nan 0.000 0.591 319 T N -2.648 111.681 114.554 -0.375 0.000 2.909 319 T HA 0.314 4.664 4.350 -0.000 0.000 0.299 319 T C 0.654 175.206 174.700 -0.247 0.000 1.073 319 T CA -0.925 60.992 62.100 -0.305 0.000 0.999 319 T CB 1.687 70.469 68.868 -0.142 0.000 1.098 319 T HN 0.247 nan 8.240 nan 0.000 0.477 320 W N 1.276 122.455 121.300 -0.201 0.000 2.333 320 W HA -0.099 4.561 4.660 -0.000 0.000 0.316 320 W C 1.493 177.934 176.519 -0.131 0.000 1.215 320 W CA 1.786 59.027 57.345 -0.173 0.000 1.278 320 W CB -0.746 28.608 29.460 -0.177 0.000 1.154 320 W HN 0.799 nan 8.180 nan 0.000 0.486 321 D N -0.327 120.147 120.400 0.124 0.000 2.149 321 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 321 D C 2.153 178.457 176.300 0.006 0.000 1.001 321 D CA 2.250 56.274 54.000 0.041 0.000 0.849 321 D CB -0.712 40.096 40.800 0.013 0.000 0.939 321 D HN 0.089 nan 8.370 nan 0.000 0.449 322 A N 0.282 123.087 122.820 -0.025 0.000 1.903 322 A HA 0.186 4.506 4.320 -0.000 0.000 0.213 322 A C 2.369 179.924 177.584 -0.049 0.000 1.185 322 A CA 1.516 53.525 52.037 -0.048 0.000 0.628 322 A CB -0.840 18.111 19.000 -0.081 0.000 0.830 322 A HN 0.276 nan 8.150 nan 0.000 0.446 323 G N -0.045 108.711 108.800 -0.074 0.000 2.442 323 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.219 323 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.219 323 G C 1.356 176.257 174.900 0.001 0.000 1.141 323 G CA 1.143 46.201 45.100 -0.069 0.000 0.763 323 G HN 0.307 nan 8.290 nan 0.000 0.554 324 L N 0.666 121.912 121.223 0.039 0.000 2.056 324 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 324 L C 3.161 180.047 176.870 0.027 0.000 1.078 324 L CA 0.813 55.683 54.840 0.050 0.000 0.749 324 L CB -1.157 40.935 42.059 0.055 0.000 0.901 324 L HN 0.119 nan 8.230 nan 0.000 0.433 325 V N -0.017 119.904 119.914 0.012 0.000 2.490 325 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 325 V C 2.557 178.657 176.094 0.011 0.000 1.061 325 V CA 1.689 63.993 62.300 0.007 0.000 1.064 325 V CB -1.217 30.604 31.823 -0.003 0.000 0.670 325 V HN 0.550 nan 8.190 nan 0.000 0.461 326 G N -0.404 108.400 108.800 0.007 0.000 2.394 326 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 326 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 326 G C 1.661 176.579 174.900 0.029 0.000 1.165 326 G CA 1.009 46.115 45.100 0.009 0.000 0.784 326 G HN 0.357 nan 8.290 nan 0.000 0.535 327 V N 0.912 120.850 119.914 0.041 0.000 2.287 327 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 327 V C 2.772 178.915 176.094 0.082 0.000 1.053 327 V CA 2.192 64.535 62.300 0.072 0.000 1.027 327 V CB -0.299 31.579 31.823 0.093 0.000 0.646 327 V HN 0.404 nan 8.190 nan 0.000 0.447 328 E N 0.356 120.594 120.200 0.063 0.000 2.085 328 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 328 E C 2.178 178.813 176.600 0.059 0.000 0.994 328 E CA 1.866 58.303 56.400 0.061 0.000 0.801 328 E CB -0.118 29.602 29.700 0.033 0.000 0.743 328 E HN 0.728 nan 8.360 nan 0.000 0.453 329 E N -0.086 120.140 120.200 0.044 0.000 2.077 329 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 329 E C 2.021 178.650 176.600 0.049 0.000 0.989 329 E CA 1.039 57.463 56.400 0.039 0.000 0.800 329 E CB -0.155 29.561 29.700 0.027 0.000 0.746 329 E HN 0.322 nan 8.360 nan 0.000 0.452 330 A N 0.937 123.792 122.820 0.057 0.000 2.019 330 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 330 A C 2.120 179.753 177.584 0.082 0.000 1.164 330 A CA 0.897 52.975 52.037 0.068 0.000 0.644 330 A CB -0.439 18.601 19.000 0.067 0.000 0.805 330 A HN 0.128 nan 8.150 nan 0.000 0.449 331 L N 0.046 121.326 121.223 0.094 0.000 2.044 331 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 331 L C 3.083 179.999 176.870 0.076 0.000 1.075 331 L CA 1.665 56.569 54.840 0.106 0.000 0.747 331 L CB -0.518 41.641 42.059 0.166 0.000 0.903 331 L HN 0.614 nan 8.230 nan 0.000 0.435 332 S N -0.272 115.468 115.700 0.066 0.000 2.387 332 S HA -0.089 4.381 4.470 -0.000 0.000 0.226 332 S C 1.998 176.620 174.600 0.036 0.000 1.026 332 S CA 0.848 59.076 58.200 0.047 0.000 0.972 332 S CB -0.917 62.307 63.200 0.040 0.000 0.814 332 S HN 0.404 nan 8.310 nan 0.000 0.477 333 G N 0.791 109.616 108.800 0.041 0.000 2.625 333 G HA2 0.039 3.999 3.960 -0.000 0.000 0.214 333 G HA3 0.039 3.999 3.960 -0.000 0.000 0.214 333 G C 1.161 176.081 174.900 0.035 0.000 1.132 333 G CA 0.708 45.830 45.100 0.036 0.000 0.782 333 G HN 0.514 nan 8.290 nan 0.000 0.538 334 L N -0.638 120.607 121.223 0.037 0.000 2.616 334 L HA 0.459 4.799 4.340 -0.000 0.000 0.229 334 L C 1.806 178.671 176.870 -0.009 0.000 1.110 334 L CA 1.325 56.178 54.840 0.021 0.000 0.884 334 L CB 0.373 42.460 42.059 0.045 0.000 1.115 334 L HN 0.270 nan 8.230 nan 0.000 0.481 335 G N -1.097 107.706 108.800 0.005 0.000 2.232 335 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.226 335 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.226 335 G C 0.275 175.180 174.900 0.008 0.000 0.996 335 G CA 0.023 45.122 45.100 -0.002 0.000 0.626 335 G HN 0.167 nan 8.290 nan 0.000 0.509 336 V N 1.936 121.860 119.914 0.017 0.000 2.788 336 V HA 0.301 4.421 4.120 -0.000 0.000 0.307 336 V C 0.665 176.790 176.094 0.052 0.000 1.069 336 V CA 0.442 62.763 62.300 0.036 0.000 1.173 336 V CB 1.439 33.297 31.823 0.059 0.000 0.925 336 V HN 0.364 nan 8.190 nan 0.000 0.492 337 D N 3.373 123.806 120.400 0.055 0.000 2.468 337 D HA 0.085 4.725 4.640 -0.000 0.000 0.218 337 D C 1.081 177.424 176.300 0.071 0.000 1.155 337 D CA -0.167 53.864 54.000 0.052 0.000 0.924 337 D CB 0.985 41.810 40.800 0.041 0.000 1.029 337 D HN 0.788 nan 8.370 nan 0.000 0.515 338 T N 0.534 115.130 114.554 0.071 0.000 3.434 338 T HA 0.281 4.631 4.350 -0.000 0.000 0.249 338 T C 1.486 176.208 174.700 0.036 0.000 1.050 338 T CA 0.045 62.188 62.100 0.072 0.000 0.952 338 T CB 0.321 69.233 68.868 0.072 0.000 1.046 338 T HN 0.216 nan 8.240 nan 0.000 0.590 339 A N 1.390 124.230 122.820 0.032 0.000 1.968 339 A HA 0.343 4.663 4.320 -0.000 0.000 0.217 339 A C 2.391 179.980 177.584 0.009 0.000 1.169 339 A CA 0.984 53.031 52.037 0.018 0.000 0.638 339 A CB -0.998 18.013 19.000 0.018 0.000 0.812 339 A HN 0.633 nan 8.150 nan 0.000 0.446 340 G N -1.137 107.672 108.800 0.014 0.000 3.042 340 G HA2 0.390 4.349 3.960 -0.000 0.000 0.212 340 G HA3 0.390 4.349 3.960 -0.000 0.000 0.212 340 G C 0.450 175.337 174.900 -0.022 0.000 1.166 340 G CA -0.302 44.799 45.100 0.003 0.000 0.767 340 G HN 0.358 nan 8.290 nan 0.000 0.546 341 L N 0.548 121.750 121.223 -0.035 0.000 2.439 341 L HA 0.552 4.891 4.340 -0.000 0.000 0.261 341 L C -0.484 176.332 176.870 -0.091 0.000 1.153 341 L CA -0.556 54.224 54.840 -0.099 0.000 0.808 341 L CB 1.969 43.952 42.059 -0.126 0.000 1.126 341 L HN -0.172 nan 8.230 nan 0.000 0.460 342 V N 3.242 123.081 119.914 -0.125 0.000 2.655 342 V HA 0.297 4.417 4.120 -0.000 0.000 0.301 342 V C -0.917 175.105 176.094 -0.119 0.000 1.082 342 V CA -0.496 61.746 62.300 -0.096 0.000 0.899 342 V CB 1.961 33.739 31.823 -0.076 0.000 1.014 342 V HN 0.377 nan 8.190 nan 0.000 0.429 343 L N 4.061 125.228 121.223 -0.095 0.000 2.298 343 L HA 0.600 4.940 4.340 -0.000 0.000 0.284 343 L C 0.656 177.481 176.870 -0.076 0.000 1.013 343 L CA 0.137 54.925 54.840 -0.086 0.000 0.824 343 L CB 1.176 43.202 42.059 -0.055 0.000 1.221 343 L HN 0.547 nan 8.230 nan 0.000 0.418 344 N N 0.911 119.556 118.700 -0.091 0.000 2.181 344 N HA 0.087 4.827 4.740 -0.000 0.000 0.207 344 N C -0.887 174.495 175.510 -0.212 0.000 1.182 344 N CA 0.155 53.117 53.050 -0.146 0.000 0.893 344 N CB 0.741 39.142 38.487 -0.143 0.000 1.032 344 N HN 0.833 nan 8.380 nan 0.000 0.513 345 D N -3.736 116.613 120.400 -0.085 0.000 2.764 345 D HA 0.217 4.857 4.640 -0.000 0.000 0.293 345 D C 0.652 177.046 176.300 0.157 0.000 1.287 345 D CA -0.426 53.569 54.000 -0.008 0.000 0.768 345 D CB 0.258 41.062 40.800 0.006 0.000 1.288 345 D HN -0.110 nan 8.370 nan 0.000 0.426 346 G N -0.742 108.234 108.800 0.293 0.000 2.459 346 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.213 346 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.213 346 G C 1.208 176.281 174.900 0.287 0.000 1.155 346 G CA 1.015 46.284 45.100 0.282 0.000 0.811 346 G HN 0.655 nan 8.290 nan 0.000 0.534 347 S N -0.456 115.427 115.700 0.306 0.000 2.395 347 S HA 0.315 4.785 4.470 -0.000 0.000 0.225 347 S C 1.963 176.652 174.600 0.149 0.000 1.027 347 S CA 1.340 59.690 58.200 0.250 0.000 0.965 347 S CB -0.171 63.163 63.200 0.223 0.000 0.812 347 S HN 1.509 nan 8.310 nan 0.000 0.482 348 G N 0.678 109.553 108.800 0.124 0.000 2.179 348 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 348 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 348 G C 0.481 175.372 174.900 -0.014 0.000 0.990 348 G CA 0.240 45.369 45.100 0.048 0.000 0.646 348 G HN 0.432 nan 8.290 nan 0.000 0.517 349 L N 0.917 122.124 121.223 -0.027 0.000 2.083 349 L HA 0.141 4.481 4.340 -0.000 0.000 0.209 349 L C 1.858 178.620 176.870 -0.180 0.000 1.083 349 L CA 1.790 56.502 54.840 -0.213 0.000 0.752 349 L CB -0.450 41.288 42.059 -0.534 0.000 0.899 349 L HN 0.441 nan 8.230 nan 0.000 0.433 350 S N -0.105 115.641 115.700 0.076 0.000 2.562 350 S HA 0.036 4.506 4.470 -0.000 0.000 0.281 350 S C 1.064 175.627 174.600 -0.062 0.000 1.333 350 S CA -0.329 57.928 58.200 0.093 0.000 1.052 350 S CB 0.628 63.914 63.200 0.143 0.000 0.884 350 S HN 0.295 nan 8.310 nan 0.000 0.506 351 R N 3.070 123.496 120.500 -0.122 0.000 2.335 351 R HA 0.111 4.451 4.340 -0.000 0.000 0.223 351 R C 1.470 177.729 176.300 -0.068 0.000 0.940 351 R CA 0.455 56.484 56.100 -0.119 0.000 1.086 351 R CB -0.143 30.067 30.300 -0.151 0.000 1.073 351 R HN 0.716 nan 8.270 nan 0.000 0.504 352 G N -0.140 108.622 108.800 -0.064 0.000 3.277 352 G HA2 0.007 3.967 3.960 -0.000 0.000 0.243 352 G HA3 0.007 3.967 3.960 -0.000 0.000 0.243 352 G C 0.028 174.887 174.900 -0.068 0.000 1.107 352 G CA -0.352 44.710 45.100 -0.063 0.000 0.771 352 G HN 0.097 nan 8.290 nan 0.000 0.544 353 N N 0.607 119.267 118.700 -0.067 0.000 2.498 353 N HA 0.592 5.332 4.740 -0.000 0.000 0.287 353 N C -0.835 174.627 175.510 -0.081 0.000 1.097 353 N CA -0.026 52.976 53.050 -0.080 0.000 0.973 353 N CB 2.152 40.594 38.487 -0.075 0.000 1.153 353 N HN 0.003 nan 8.380 nan 0.000 0.472 354 L N 1.025 122.186 121.223 -0.103 0.000 2.422 354 L HA 0.642 4.981 4.340 -0.000 0.000 0.264 354 L C -0.299 176.494 176.870 -0.128 0.000 0.984 354 L CA -0.954 53.834 54.840 -0.088 0.000 0.819 354 L CB 2.163 44.184 42.059 -0.063 0.000 1.330 354 L HN 0.305 nan 8.230 nan 0.000 0.410 355 V N -0.929 118.933 119.914 -0.086 0.000 3.181 355 V HA 0.896 5.016 4.120 -0.000 0.000 0.307 355 V C -0.746 175.352 176.094 0.006 0.000 1.310 355 V CA -0.458 61.798 62.300 -0.074 0.000 1.067 355 V CB 2.159 33.945 31.823 -0.061 0.000 1.081 355 V HN 0.837 nan 8.190 nan 0.000 0.453 356 T N -2.375 112.212 114.554 0.055 0.000 2.903 356 T HA 0.801 5.151 4.350 -0.000 0.000 0.299 356 T C 0.883 175.637 174.700 0.089 0.000 1.093 356 T CA 0.044 62.180 62.100 0.060 0.000 1.002 356 T CB 1.661 70.559 68.868 0.051 0.000 1.127 356 T HN 1.961 nan 8.240 nan 0.000 0.488 357 A N 1.649 124.514 122.820 0.076 0.000 1.865 357 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 357 A C 1.955 179.586 177.584 0.078 0.000 1.191 357 A CA 2.077 54.160 52.037 0.077 0.000 0.623 357 A CB -1.172 17.874 19.000 0.076 0.000 0.826 357 A HN 0.943 nan 8.150 nan 0.000 0.444 358 D N -0.404 120.039 120.400 0.073 0.000 2.106 358 D HA -0.136 4.504 4.640 -0.000 0.000 0.191 358 D C 2.009 178.354 176.300 0.075 0.000 0.997 358 D CA 2.096 56.135 54.000 0.066 0.000 0.834 358 D CB -0.843 39.991 40.800 0.056 0.000 0.956 358 D HN 0.445 nan 8.370 nan 0.000 0.448 359 T N 0.614 115.232 114.554 0.105 0.000 2.849 359 T HA -0.088 4.262 4.350 -0.000 0.000 0.270 359 T C 2.177 176.982 174.700 0.175 0.000 1.066 359 T CA 0.522 62.718 62.100 0.159 0.000 1.130 359 T CB -0.149 68.847 68.868 0.213 0.000 0.864 359 T HN 0.004 nan 8.240 nan 0.000 0.481 360 V N 0.833 120.837 119.914 0.150 0.000 2.488 360 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 360 V C 2.580 178.634 176.094 -0.066 0.000 1.046 360 V CA 0.963 63.287 62.300 0.040 0.000 1.053 360 V CB -0.319 31.546 31.823 0.070 0.000 0.679 360 V HN 0.334 nan 8.190 nan 0.000 0.458 361 V N 0.079 119.982 119.914 -0.019 0.000 2.488 361 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 361 V C 2.400 178.490 176.094 -0.006 0.000 1.046 361 V CA 1.926 64.213 62.300 -0.023 0.000 1.053 361 V CB -0.616 31.221 31.823 0.024 0.000 0.679 361 V HN 0.575 nan 8.190 nan 0.000 0.458 362 D N 0.698 121.102 120.400 0.007 0.000 2.106 362 D HA -0.218 4.422 4.640 -0.000 0.000 0.191 362 D C 2.089 178.370 176.300 -0.032 0.000 0.997 362 D CA 1.772 55.776 54.000 0.006 0.000 0.834 362 D CB -0.080 40.739 40.800 0.030 0.000 0.956 362 D HN 0.350 nan 8.370 nan 0.000 0.448 363 L N 0.596 121.771 121.223 -0.079 0.000 2.131 363 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 363 L C 2.372 179.154 176.870 -0.147 0.000 1.092 363 L CA 1.195 55.936 54.840 -0.164 0.000 0.759 363 L CB -0.507 41.328 42.059 -0.374 0.000 0.903 363 L HN 0.101 nan 8.230 nan 0.000 0.435 364 L N -0.921 120.258 121.223 -0.073 0.000 2.141 364 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 364 L C 2.457 179.424 176.870 0.162 0.000 1.094 364 L CA 1.021 55.901 54.840 0.067 0.000 0.763 364 L CB -1.226 40.797 42.059 -0.061 0.000 0.908 364 L HN 0.448 nan 8.230 nan 0.000 0.437 365 G N -0.927 107.908 108.800 0.057 0.000 2.434 365 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.214 365 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.214 365 G C 1.426 176.289 174.900 -0.061 0.000 1.202 365 G CA 0.141 45.260 45.100 0.031 0.000 0.788 365 G HN 0.229 nan 8.290 nan 0.000 0.539 366 Q N 0.722 120.463 119.800 -0.100 0.000 2.152 366 Q HA -0.100 4.240 4.340 -0.000 0.000 0.206 366 Q C 2.856 178.677 176.000 -0.299 0.000 0.985 366 Q CA 1.561 57.266 55.803 -0.163 0.000 0.863 366 Q CB -0.838 27.823 28.738 -0.129 0.000 0.904 366 Q HN 0.467 nan 8.270 nan 0.000 0.422 367 A N 0.763 123.364 122.820 -0.364 0.000 1.898 367 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 367 A C 2.413 179.648 177.584 -0.582 0.000 1.181 367 A CA 1.582 53.209 52.037 -0.684 0.000 0.620 367 A CB -1.062 17.264 19.000 -1.124 0.000 0.819 367 A HN 0.440 nan 8.150 nan 0.000 0.442 368 G N 0.073 108.710 108.800 -0.272 0.000 2.469 368 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 368 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 368 G C 1.401 176.149 174.900 -0.253 0.000 1.150 368 G CA 1.491 46.455 45.100 -0.226 0.000 0.763 368 G HN 1.011 nan 8.290 nan 0.000 0.561 369 S N -0.179 115.362 115.700 -0.265 0.000 2.519 369 S HA 0.749 5.219 4.470 -0.000 0.000 0.245 369 S C 0.359 174.748 174.600 -0.352 0.000 1.152 369 S CA -0.026 58.026 58.200 -0.247 0.000 1.175 369 S CB 0.568 63.667 63.200 -0.169 0.000 0.829 369 S HN 0.574 nan 8.310 nan 0.000 0.472 370 A N 1.868 124.355 122.820 -0.556 0.000 2.281 370 A HA 0.801 5.121 4.320 -0.000 0.000 0.329 370 A C -1.779 175.389 177.584 -0.692 0.000 1.122 370 A CA -2.045 49.490 52.037 -0.835 0.000 0.850 370 A CB 0.382 18.339 19.000 -1.739 0.000 1.207 370 A HN 0.295 nan 8.150 nan 0.000 0.495 371 P HA -0.069 nan 4.420 nan 0.000 0.225 371 P C 0.531 177.740 177.300 -0.152 0.000 1.148 371 P CA 1.175 64.100 63.100 -0.292 0.000 0.779 371 P CB 0.108 31.722 31.700 -0.143 0.000 0.780 372 W N -3.394 117.915 121.300 0.015 0.000 2.818 372 W HA 0.657 5.317 4.660 -0.000 0.000 0.403 372 W C 0.836 177.419 176.519 0.107 0.000 0.991 372 W CA -0.048 57.334 57.345 0.061 0.000 1.925 372 W CB -0.915 28.593 29.460 0.079 0.000 1.166 372 W HN -0.169 nan 8.180 nan 0.000 0.605 373 A N 1.387 124.225 122.820 0.030 0.000 2.093 373 A HA -0.311 4.009 4.320 -0.000 0.000 0.222 373 A C 2.266 180.053 177.584 0.340 0.000 1.162 373 A CA 2.147 54.276 52.037 0.154 0.000 0.655 373 A CB -0.605 18.339 19.000 -0.093 0.000 0.805 373 A HN 0.368 nan 8.150 nan 0.000 0.461 374 Q N 0.266 120.214 119.800 0.246 0.000 1.891 374 Q HA -0.214 4.126 4.340 -0.000 0.000 0.214 374 Q C 2.306 178.455 176.000 0.248 0.000 0.995 374 Q CA 3.246 59.169 55.803 0.201 0.000 0.866 374 Q CB -1.019 27.809 28.738 0.150 0.000 0.931 374 Q HN 0.705 nan 8.270 nan 0.000 0.422 375 T N -0.805 113.909 114.554 0.267 0.000 2.737 375 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 375 T C 1.691 176.547 174.700 0.260 0.000 1.040 375 T CA 1.594 63.831 62.100 0.228 0.000 1.142 375 T CB -1.188 67.808 68.868 0.213 0.000 0.861 375 T HN 0.601 nan 8.240 nan 0.000 0.456 376 W N 3.010 124.452 121.300 0.237 0.000 2.317 376 W HA -0.286 4.374 4.660 -0.000 0.000 0.318 376 W C 2.418 179.042 176.519 0.175 0.000 1.227 376 W CA 2.632 60.125 57.345 0.247 0.000 1.269 376 W CB -0.849 28.917 29.460 0.509 0.000 1.155 376 W HN 0.536 nan 8.180 nan 0.000 0.484 377 S N 1.024 116.799 115.700 0.124 0.000 2.387 377 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 377 S C 2.164 176.729 174.600 -0.058 0.000 1.026 377 S CA 1.307 59.489 58.200 -0.030 0.000 0.972 377 S CB -1.032 62.244 63.200 0.127 0.000 0.814 377 S HN 0.302 nan 8.310 nan 0.000 0.477 378 A N 2.314 125.144 122.820 0.017 0.000 1.978 378 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 378 A C 2.460 180.022 177.584 -0.037 0.000 1.170 378 A CA 1.997 54.041 52.037 0.012 0.000 0.636 378 A CB -1.146 17.891 19.000 0.061 0.000 0.810 378 A HN 0.849 nan 8.150 nan 0.000 0.448 379 S N -0.714 114.934 115.700 -0.087 0.000 2.489 379 S HA 0.212 4.682 4.470 -0.000 0.000 0.228 379 S C 0.667 175.123 174.600 -0.239 0.000 0.995 379 S CA -0.186 57.934 58.200 -0.134 0.000 0.934 379 S CB -0.602 62.521 63.200 -0.129 0.000 0.771 379 S HN 0.392 nan 8.310 nan 0.000 0.522 380 L N 2.312 123.365 121.223 -0.283 0.000 2.426 380 L HA 0.342 4.682 4.340 -0.000 0.000 0.271 380 L C -2.470 174.273 176.870 -0.211 0.000 1.169 380 L CA -2.185 52.475 54.840 -0.300 0.000 0.836 380 L CB -0.058 41.811 42.059 -0.317 0.000 1.112 380 L HN -0.017 nan 8.230 nan 0.000 0.465 381 P HA 0.028 nan 4.420 nan 0.000 0.268 381 P C -0.885 176.350 177.300 -0.110 0.000 1.205 381 P CA -0.090 62.902 63.100 -0.180 0.000 0.771 381 P CB 0.711 32.300 31.700 -0.184 0.000 0.858 382 V N 3.153 123.018 119.914 -0.082 0.000 2.334 382 V HA 0.436 4.556 4.120 -0.000 0.000 0.281 382 V C 0.549 176.622 176.094 -0.035 0.000 1.016 382 V CA -1.011 61.263 62.300 -0.043 0.000 0.832 382 V CB 0.665 32.471 31.823 -0.028 0.000 0.999 382 V HN 0.714 nan 8.190 nan 0.000 0.439 383 A N 4.055 126.860 122.820 -0.026 0.000 2.609 383 A HA 0.407 4.727 4.320 -0.000 0.000 0.232 383 A C 1.743 179.314 177.584 -0.021 0.000 1.041 383 A CA 1.086 53.109 52.037 -0.023 0.000 0.753 383 A CB -0.466 18.524 19.000 -0.018 0.000 0.966 383 A HN 2.208 nan 8.150 nan 0.000 0.510 384 G N 0.709 109.498 108.800 -0.018 0.000 2.435 384 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.245 384 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.245 384 G C 0.244 175.143 174.900 -0.003 0.000 1.073 384 G CA 0.556 45.649 45.100 -0.011 0.000 0.638 384 G HN 0.954 nan 8.290 nan 0.000 0.521 385 E N 1.815 122.012 120.200 -0.004 0.000 2.341 385 E HA 0.282 4.632 4.350 -0.000 0.000 0.256 385 E C 1.657 178.268 176.600 0.018 0.000 1.125 385 E CA 0.671 57.076 56.400 0.008 0.000 0.939 385 E CB 0.756 30.459 29.700 0.007 0.000 0.991 385 E HN 0.687 nan 8.360 nan 0.000 0.458 386 S N 1.494 117.210 115.700 0.026 0.000 2.500 386 S HA -0.144 4.326 4.470 -0.000 0.000 0.239 386 S C 0.685 175.322 174.600 0.062 0.000 0.989 386 S CA 0.200 58.423 58.200 0.038 0.000 0.951 386 S CB 0.163 63.383 63.200 0.033 0.000 0.759 386 S HN 0.367 nan 8.310 nan 0.000 0.523 387 D N 2.879 123.321 120.400 0.070 0.000 2.352 387 D HA 0.234 4.874 4.640 -0.000 0.000 0.245 387 D C -1.594 174.797 176.300 0.152 0.000 1.224 387 D CA -2.150 51.917 54.000 0.112 0.000 0.879 387 D CB 1.386 42.250 40.800 0.106 0.000 1.057 387 D HN 0.005 nan 8.370 nan 0.000 0.491 388 P HA -0.227 nan 4.420 nan 0.000 0.219 388 P C 1.026 178.430 177.300 0.174 0.000 1.159 388 P CA 1.389 64.658 63.100 0.282 0.000 0.944 388 P CB -0.065 31.882 31.700 0.412 0.000 0.792 389 F N -2.188 117.871 119.950 0.181 0.000 2.722 389 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 389 F C 1.862 177.634 175.800 -0.047 0.000 1.175 389 F CA 0.577 58.617 58.000 0.066 0.000 1.462 389 F CB -0.517 38.573 39.000 0.149 0.000 1.111 389 F HN -0.177 nan 8.300 nan 0.000 0.592 390 V N -1.916 118.043 119.914 0.075 0.000 2.950 390 V HA 0.190 4.310 4.120 -0.000 0.000 0.231 390 V C 2.379 178.438 176.094 -0.058 0.000 1.205 390 V CA 1.108 63.419 62.300 0.019 0.000 1.239 390 V CB -0.790 31.065 31.823 0.054 0.000 1.050 390 V HN 0.187 nan 8.190 nan 0.000 0.498 391 G N -0.403 108.372 108.800 -0.041 0.000 2.464 391 G HA2 0.304 4.264 3.960 -0.000 0.000 0.217 391 G HA3 0.304 4.264 3.960 -0.000 0.000 0.217 391 G C 1.180 176.003 174.900 -0.129 0.000 1.138 391 G CA 1.125 46.188 45.100 -0.062 0.000 0.793 391 G HN 0.885 nan 8.290 nan 0.000 0.539 392 G N 0.269 108.939 108.800 -0.216 0.000 2.652 392 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.318 392 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.318 392 G C 1.477 176.292 174.900 -0.141 0.000 1.295 392 G CA 2.394 47.271 45.100 -0.372 0.000 0.999 392 G HN 1.182 nan 8.290 nan 0.000 0.548 393 T N -0.581 113.887 114.554 -0.143 0.000 3.098 393 T HA 0.246 4.596 4.350 -0.000 0.000 0.266 393 T C 1.937 176.603 174.700 -0.057 0.000 1.145 393 T CA 1.703 63.765 62.100 -0.064 0.000 1.092 393 T CB -0.051 68.773 68.868 -0.073 0.000 0.908 393 T HN 0.535 nan 8.240 nan 0.000 0.526 394 L N -0.197 120.985 121.223 -0.069 0.000 2.857 394 L HA 0.512 4.852 4.340 -0.000 0.000 0.249 394 L C 2.468 179.318 176.870 -0.032 0.000 1.172 394 L CA -0.040 54.771 54.840 -0.048 0.000 0.980 394 L CB -0.108 41.921 42.059 -0.051 0.000 1.299 394 L HN 0.245 nan 8.230 nan 0.000 0.535 395 A N 0.284 123.089 122.820 -0.024 0.000 2.172 395 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 395 A C 1.599 179.184 177.584 0.002 0.000 1.154 395 A CA 1.460 53.494 52.037 -0.005 0.000 0.701 395 A CB -0.468 18.541 19.000 0.016 0.000 0.789 395 A HN 0.604 nan 8.150 nan 0.000 0.465 396 N N -1.686 117.012 118.700 -0.003 0.000 2.181 396 N HA 0.111 4.851 4.740 -0.000 0.000 0.207 396 N C -0.154 175.351 175.510 -0.009 0.000 1.182 396 N CA -0.266 52.782 53.050 -0.002 0.000 0.893 396 N CB 0.587 39.075 38.487 0.001 0.000 1.032 396 N HN 0.306 nan 8.380 nan 0.000 0.513 397 R N 0.803 121.294 120.500 -0.015 0.000 2.428 397 R HA 0.416 4.755 4.340 -0.000 0.000 0.294 397 R C 0.187 176.475 176.300 -0.021 0.000 1.000 397 R CA -0.381 55.707 56.100 -0.020 0.000 0.960 397 R CB 0.929 31.215 30.300 -0.024 0.000 1.076 397 R HN 0.064 nan 8.270 nan 0.000 0.475 398 M N 0.129 119.715 119.600 -0.023 0.000 2.818 398 M HA -0.260 4.220 4.480 -0.000 0.000 0.204 398 M C -0.545 175.742 176.300 -0.020 0.000 0.552 398 M CA 1.013 56.297 55.300 -0.025 0.000 0.687 398 M CB -1.304 31.277 32.600 -0.031 0.000 2.512 398 M HN 0.609 nan 8.290 nan 0.000 0.563 399 R N 0.437 120.928 120.500 -0.014 0.000 2.539 399 R HA 0.431 4.771 4.340 -0.000 0.000 0.275 399 R C 1.369 177.664 176.300 -0.009 0.000 1.077 399 R CA 0.710 56.804 56.100 -0.010 0.000 1.097 399 R CB 0.602 30.899 30.300 -0.005 0.000 1.018 399 R HN 0.471 nan 8.270 nan 0.000 0.483 400 G N 1.177 109.973 108.800 -0.006 0.000 2.179 400 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 400 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 400 G C 0.100 174.997 174.900 -0.004 0.000 1.010 400 G CA 0.757 45.855 45.100 -0.003 0.000 0.736 400 G HN 0.738 nan 8.290 nan 0.000 0.513 401 T N -4.455 110.094 114.554 -0.008 0.000 2.907 401 T HA 0.802 5.152 4.350 -0.000 0.000 0.290 401 T C 1.393 176.090 174.700 -0.006 0.000 1.066 401 T CA 0.210 62.305 62.100 -0.009 0.000 1.012 401 T CB 1.676 70.532 68.868 -0.019 0.000 1.184 401 T HN 1.360 nan 8.240 nan 0.000 0.522 402 A N 0.156 122.978 122.820 0.004 0.000 2.186 402 A HA 0.259 4.579 4.320 -0.000 0.000 0.219 402 A C 2.259 179.829 177.584 -0.022 0.000 1.159 402 A CA 1.605 53.656 52.037 0.024 0.000 0.680 402 A CB -1.290 17.746 19.000 0.059 0.000 0.787 402 A HN 1.232 nan 8.150 nan 0.000 0.467 403 A N -0.539 122.256 122.820 -0.042 0.000 2.132 403 A HA 0.168 4.487 4.320 -0.000 0.000 0.213 403 A C 0.978 178.520 177.584 -0.071 0.000 1.154 403 A CA 0.451 52.444 52.037 -0.073 0.000 0.753 403 A CB -0.262 18.700 19.000 -0.064 0.000 0.826 403 A HN 0.628 nan 8.150 nan 0.000 0.469 404 E N -0.351 119.820 120.200 -0.049 0.000 2.452 404 E HA 0.260 4.610 4.350 -0.000 0.000 0.261 404 E C 1.273 177.844 176.600 -0.049 0.000 0.987 404 E CA 0.610 56.987 56.400 -0.037 0.000 0.926 404 E CB 0.017 29.704 29.700 -0.020 0.000 0.934 404 E HN 0.656 nan 8.360 nan 0.000 0.452 405 G N 2.412 111.190 108.800 -0.036 0.000 2.216 405 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.269 405 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.269 405 G C 0.677 175.544 174.900 -0.055 0.000 0.981 405 G CA 0.721 45.802 45.100 -0.033 0.000 0.658 405 G HN 0.410 nan 8.290 nan 0.000 0.539 406 V N -0.206 119.650 119.914 -0.097 0.000 2.784 406 V HA 0.188 4.308 4.120 -0.000 0.000 0.231 406 V C 1.879 177.940 176.094 -0.055 0.000 1.128 406 V CA 0.698 62.909 62.300 -0.148 0.000 1.178 406 V CB -0.205 31.382 31.823 -0.394 0.000 0.943 406 V HN 0.216 nan 8.190 nan 0.000 0.500 407 V N 2.429 122.323 119.914 -0.034 0.000 2.644 407 V HA -0.027 4.093 4.120 -0.000 0.000 0.305 407 V C 0.036 176.173 176.094 0.072 0.000 1.053 407 V CA 0.699 63.038 62.300 0.066 0.000 1.186 407 V CB -0.372 31.491 31.823 0.066 0.000 0.895 407 V HN 0.575 nan 8.190 nan 0.000 0.490 408 E N 3.784 124.057 120.200 0.121 0.000 2.186 408 E HA 0.716 5.066 4.350 -0.000 0.000 0.255 408 E C -0.385 176.208 176.600 -0.012 0.000 0.881 408 E CA -0.345 56.088 56.400 0.054 0.000 0.752 408 E CB 1.889 31.651 29.700 0.102 0.000 1.176 408 E HN 0.837 nan 8.360 nan 0.000 0.421 409 A N 2.792 125.564 122.820 -0.080 0.000 2.594 409 A HA 0.607 4.927 4.320 -0.000 0.000 0.295 409 A C -1.335 176.129 177.584 -0.200 0.000 1.071 409 A CA -0.889 51.036 52.037 -0.185 0.000 0.685 409 A CB 1.706 20.658 19.000 -0.080 0.000 1.285 409 A HN 0.344 nan 8.150 nan 0.000 0.405 410 K N 0.995 121.243 120.400 -0.254 0.000 2.183 410 K HA 0.613 4.933 4.320 -0.000 0.000 0.274 410 K C 0.434 176.943 176.600 -0.152 0.000 1.009 410 K CA 0.355 56.507 56.287 -0.224 0.000 0.888 410 K CB 0.811 33.156 32.500 -0.259 0.000 1.078 410 K HN 0.896 nan 8.250 nan 0.000 0.459 411 T N -0.072 114.406 114.554 -0.125 0.000 2.849 411 T HA 0.815 5.165 4.350 -0.000 0.000 0.276 411 T C 0.202 174.857 174.700 -0.074 0.000 0.971 411 T CA -0.640 61.410 62.100 -0.084 0.000 0.949 411 T CB 1.416 70.240 68.868 -0.074 0.000 1.093 411 T HN 0.606 nan 8.240 nan 0.000 0.545 412 G N 0.562 109.328 108.800 -0.056 0.000 2.524 412 G HA2 0.515 4.475 3.960 -0.000 0.000 0.306 412 G HA3 0.515 4.475 3.960 -0.000 0.000 0.306 412 G C -0.902 173.973 174.900 -0.042 0.000 1.420 412 G CA -0.518 44.553 45.100 -0.049 0.000 1.086 412 G HN 1.100 nan 8.290 nan 0.000 0.591 413 T N -0.167 114.351 114.554 -0.060 0.000 2.993 413 T HA 0.800 5.150 4.350 -0.000 0.000 0.312 413 T C -0.242 174.405 174.700 -0.088 0.000 1.115 413 T CA -0.663 61.406 62.100 -0.051 0.000 1.027 413 T CB 1.864 70.703 68.868 -0.048 0.000 1.116 413 T HN 1.713 nan 8.240 nan 0.000 0.464 414 M N -0.245 119.317 119.600 -0.064 0.000 2.833 414 M HA 0.671 5.151 4.480 -0.000 0.000 0.270 414 M C -0.715 175.557 176.300 -0.046 0.000 1.209 414 M CA -0.936 54.307 55.300 -0.095 0.000 0.826 414 M CB 1.782 34.297 32.600 -0.143 0.000 1.657 414 M HN 0.482 nan 8.290 nan 0.000 0.492 415 S N 0.883 116.566 115.700 -0.029 0.000 2.887 415 S HA 0.356 4.826 4.470 -0.000 0.000 0.337 415 S C 1.209 175.770 174.600 -0.066 0.000 1.209 415 S CA 1.967 60.166 58.200 -0.003 0.000 1.186 415 S CB -1.314 61.942 63.200 0.093 0.000 0.925 415 S HN 1.815 nan 8.310 nan 0.000 0.522 416 G N 2.893 111.586 108.800 -0.178 0.000 2.147 416 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 416 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 416 G C -0.105 174.585 174.900 -0.351 0.000 1.005 416 G CA 0.075 44.906 45.100 -0.447 0.000 0.713 416 G HN 1.134 nan 8.290 nan 0.000 0.515 417 V N -0.447 119.430 119.914 -0.062 0.000 2.711 417 V HA 0.816 4.936 4.120 -0.000 0.000 0.304 417 V C -0.183 176.008 176.094 0.161 0.000 1.097 417 V CA -0.087 62.274 62.300 0.100 0.000 0.906 417 V CB 1.946 33.772 31.823 0.004 0.000 1.015 417 V HN 0.765 nan 8.190 nan 0.000 0.427 418 S N 2.584 118.390 115.700 0.177 0.000 2.546 418 S HA 0.957 5.427 4.470 -0.000 0.000 0.274 418 S C -0.930 173.682 174.600 0.019 0.000 1.121 418 S CA 0.286 58.519 58.200 0.056 0.000 0.887 418 S CB 1.916 65.106 63.200 -0.016 0.000 1.094 418 S HN 1.615 nan 8.310 nan 0.000 0.474 419 A N 2.301 125.119 122.820 -0.003 0.000 2.594 419 A HA 0.837 5.157 4.320 -0.000 0.000 0.295 419 A C -1.973 175.604 177.584 -0.012 0.000 1.071 419 A CA -0.550 51.486 52.037 -0.002 0.000 0.685 419 A CB 1.725 20.727 19.000 0.004 0.000 1.285 419 A HN 1.139 nan 8.150 nan 0.000 0.405 420 L N 1.329 122.556 121.223 0.007 0.000 2.573 420 L HA 0.637 4.977 4.340 -0.000 0.000 0.260 420 L C -1.019 175.842 176.870 -0.015 0.000 0.997 420 L CA 0.367 55.222 54.840 0.026 0.000 0.890 420 L CB 1.553 43.677 42.059 0.110 0.000 1.179 420 L HN 0.558 nan 8.230 nan 0.000 0.439 421 S N 2.328 117.887 115.700 -0.235 0.000 2.500 421 S HA 1.014 5.484 4.470 -0.000 0.000 0.301 421 S C 0.064 174.183 174.600 -0.802 0.000 1.092 421 S CA -0.026 57.842 58.200 -0.554 0.000 1.030 421 S CB 1.800 64.809 63.200 -0.320 0.000 1.031 421 S HN 0.977 nan 8.310 nan 0.000 0.483 422 G N 1.379 109.312 108.800 -1.445 0.000 2.474 422 G HA2 0.507 4.467 3.960 -0.000 0.000 0.234 422 G HA3 0.507 4.467 3.960 -0.000 0.000 0.234 422 G C -2.375 171.944 174.900 -0.968 0.000 1.204 422 G CA -0.464 43.996 45.100 -1.066 0.000 0.939 422 G HN 0.467 nan 8.290 nan 0.000 0.491 423 Y N -1.123 119.134 120.300 -0.072 0.000 2.524 423 Y HA 0.643 5.193 4.550 -0.000 0.000 0.344 423 Y C -0.001 176.076 175.900 0.294 0.000 1.012 423 Y CA -1.009 57.178 58.100 0.146 0.000 1.068 423 Y CB 2.686 41.205 38.460 0.098 0.000 1.249 423 Y HN 0.266 nan 8.280 nan 0.000 0.468 424 V N 4.269 124.452 119.914 0.449 0.000 2.266 424 V HA 0.253 4.373 4.120 -0.000 0.000 0.266 424 V C -2.405 173.830 176.094 0.234 0.000 1.036 424 V CA -1.866 60.602 62.300 0.279 0.000 0.828 424 V CB 0.633 32.588 31.823 0.220 0.000 1.081 424 V HN 0.540 nan 8.190 nan 0.000 0.449 425 P HA 0.152 nan 4.420 nan 0.000 0.263 425 P C 0.290 177.741 177.300 0.252 0.000 1.247 425 P CA 0.839 64.031 63.100 0.153 0.000 0.876 425 P CB 1.081 32.837 31.700 0.093 0.000 0.928 426 G N 4.711 113.645 108.800 0.223 0.000 2.568 426 G HA2 0.523 4.483 3.960 -0.000 0.000 0.313 426 G HA3 0.523 4.483 3.960 -0.000 0.000 0.313 426 G C -1.567 173.383 174.900 0.084 0.000 1.227 426 G CA -1.338 43.888 45.100 0.209 0.000 0.979 426 G HN 0.167 nan 8.290 nan 0.000 0.486 427 P HA -0.013 nan 4.420 nan 0.000 0.215 427 P C 1.059 178.357 177.300 -0.005 0.000 1.157 427 P CA 1.017 64.114 63.100 -0.005 0.000 0.856 427 P CB 0.566 32.240 31.700 -0.043 0.000 0.786 428 E N 0.169 120.359 120.200 -0.017 0.000 2.051 428 E HA 0.071 4.421 4.350 -0.000 0.000 0.192 428 E C 1.115 177.724 176.600 0.016 0.000 0.991 428 E CA 1.025 57.419 56.400 -0.009 0.000 0.799 428 E CB -0.285 29.399 29.700 -0.026 0.000 0.748 428 E HN 0.300 nan 8.360 nan 0.000 0.449 429 G N 0.761 109.584 108.800 0.039 0.000 2.732 429 G HA2 0.246 4.206 3.960 -0.000 0.000 0.296 429 G HA3 0.246 4.206 3.960 -0.000 0.000 0.296 429 G C -1.809 173.142 174.900 0.085 0.000 1.448 429 G CA -0.834 44.300 45.100 0.057 0.000 0.911 429 G HN -0.028 nan 8.290 nan 0.000 0.528 430 E N 0.738 120.983 120.200 0.074 0.000 2.290 430 E HA 0.485 4.835 4.350 -0.000 0.000 0.277 430 E C -0.688 176.000 176.600 0.146 0.000 1.035 430 E CA -0.333 56.121 56.400 0.091 0.000 0.873 430 E CB 0.851 30.565 29.700 0.024 0.000 1.029 430 E HN 0.217 nan 8.360 nan 0.000 0.419 431 L N 3.744 125.094 121.223 0.211 0.000 2.325 431 L HA 0.720 5.060 4.340 -0.000 0.000 0.278 431 L C -0.346 176.749 176.870 0.376 0.000 1.023 431 L CA -0.487 54.507 54.840 0.257 0.000 0.811 431 L CB 1.738 43.940 42.059 0.240 0.000 1.249 431 L HN 0.722 nan 8.230 nan 0.000 0.431 432 A N 3.242 126.257 122.820 0.325 0.000 2.355 432 A HA 0.894 5.214 4.320 -0.000 0.000 0.317 432 A C -1.171 176.546 177.584 0.221 0.000 1.094 432 A CA -0.398 51.791 52.037 0.253 0.000 0.764 432 A CB 0.946 20.072 19.000 0.211 0.000 1.230 432 A HN 0.576 nan 8.150 nan 0.000 0.448 433 F N 0.041 119.980 119.950 -0.018 0.000 2.631 433 F HA 0.841 5.368 4.527 -0.000 0.000 0.308 433 F C -0.511 175.258 175.800 -0.051 0.000 1.097 433 F CA -0.817 57.168 58.000 -0.024 0.000 0.952 433 F CB 1.700 40.683 39.000 -0.028 0.000 1.307 433 F HN 0.510 nan 8.300 nan 0.000 0.450 434 S N 2.876 118.618 115.700 0.070 0.000 2.672 434 S HA 0.748 5.218 4.470 -0.000 0.000 0.291 434 S C -1.418 173.244 174.600 0.103 0.000 1.145 434 S CA -0.484 57.712 58.200 -0.007 0.000 1.013 434 S CB 0.619 63.808 63.200 -0.020 0.000 1.017 434 S HN 0.672 nan 8.310 nan 0.000 0.487 435 I N 4.641 125.275 120.570 0.107 0.000 2.382 435 I HA 0.512 4.682 4.170 -0.000 0.000 0.286 435 I C -0.959 175.184 176.117 0.043 0.000 1.002 435 I CA -0.889 60.458 61.300 0.079 0.000 1.135 435 I CB 1.975 40.026 38.000 0.085 0.000 1.288 435 I HN 0.312 nan 8.210 nan 0.000 0.448 436 V N 5.981 125.918 119.914 0.039 0.000 2.409 436 V HA 0.376 4.496 4.120 -0.000 0.000 0.290 436 V C -0.511 175.609 176.094 0.044 0.000 1.017 436 V CA -0.736 61.588 62.300 0.039 0.000 0.841 436 V CB 1.519 33.369 31.823 0.045 0.000 1.003 436 V HN 0.653 nan 8.190 nan 0.000 0.426 437 N N 4.561 123.290 118.700 0.048 0.000 2.424 437 N HA 0.488 5.228 4.740 -0.000 0.000 0.271 437 N C -0.900 174.740 175.510 0.216 0.000 0.985 437 N CA -0.306 52.794 53.050 0.082 0.000 0.921 437 N CB 1.980 40.435 38.487 -0.052 0.000 1.149 437 N HN 0.691 nan 8.380 nan 0.000 0.492 438 N N -0.308 118.504 118.700 0.185 0.000 2.240 438 N HA 0.452 5.192 4.740 -0.000 0.000 0.302 438 N C 0.511 176.076 175.510 0.091 0.000 1.106 438 N CA -0.646 52.472 53.050 0.112 0.000 0.778 438 N CB 2.397 40.912 38.487 0.046 0.000 1.431 438 N HN 0.614 nan 8.380 nan 0.000 0.479 439 G N 0.673 109.443 108.800 -0.051 0.000 2.176 439 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.253 439 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.253 439 G C -0.109 174.770 174.900 -0.035 0.000 0.979 439 G CA 0.135 45.209 45.100 -0.044 0.000 0.641 439 G HN 0.849 nan 8.290 nan 0.000 0.530 440 H N 0.385 119.458 119.070 0.005 0.000 2.629 440 H HA 0.631 5.187 4.556 -0.000 0.000 0.357 440 H C 1.373 176.704 175.328 0.004 0.000 1.121 440 H CA 0.278 56.328 56.048 0.002 0.000 1.406 440 H CB 1.191 30.952 29.762 -0.002 0.000 1.456 440 H HN 0.381 nan 8.280 nan 0.000 0.579 441 S N 1.385 117.115 115.700 0.050 0.000 2.486 441 S HA 0.154 4.624 4.470 -0.000 0.000 0.220 441 S C 1.237 175.860 174.600 0.038 0.000 1.011 441 S CA -0.055 58.148 58.200 0.005 0.000 0.921 441 S CB 0.027 63.235 63.200 0.013 0.000 0.785 441 S HN 0.824 nan 8.310 nan 0.000 0.517 442 G N 1.999 110.860 108.800 0.102 0.000 2.531 442 G HA2 0.589 4.549 3.960 -0.000 0.000 0.253 442 G HA3 0.589 4.549 3.960 -0.000 0.000 0.253 442 G C -2.651 172.327 174.900 0.130 0.000 1.439 442 G CA -1.455 43.699 45.100 0.089 0.000 1.056 442 G HN 0.305 nan 8.290 nan 0.000 0.555 443 P HA 0.402 nan 4.420 nan 0.000 0.275 443 P C -0.200 177.154 177.300 0.089 0.000 1.266 443 P CA -0.224 62.918 63.100 0.071 0.000 0.793 443 P CB 0.388 32.103 31.700 0.025 0.000 1.074 444 A N 2.375 125.228 122.820 0.055 0.000 2.566 444 A HA 0.148 4.468 4.320 -0.000 0.000 0.245 444 A C -1.546 175.976 177.584 -0.103 0.000 1.056 444 A CA -0.521 51.511 52.037 -0.008 0.000 0.757 444 A CB -1.139 17.855 19.000 -0.010 0.000 0.979 444 A HN 0.422 nan 8.150 nan 0.000 0.508 445 P HA 0.086 nan 4.420 nan 0.000 0.228 445 P C 0.846 178.066 177.300 -0.133 0.000 1.748 445 P CA -0.050 62.929 63.100 -0.201 0.000 0.909 445 P CB -0.058 31.455 31.700 -0.312 0.000 1.882 446 L N 0.356 121.524 121.223 -0.092 0.000 2.042 446 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 446 L C 2.629 179.462 176.870 -0.063 0.000 1.076 446 L CA 1.851 56.650 54.840 -0.068 0.000 0.749 446 L CB -1.279 40.750 42.059 -0.050 0.000 0.893 446 L HN 0.118 nan 8.230 nan 0.000 0.432 447 A N 0.122 122.906 122.820 -0.060 0.000 1.892 447 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 447 A C 2.322 179.867 177.584 -0.065 0.000 1.188 447 A CA 2.213 54.217 52.037 -0.055 0.000 0.631 447 A CB -0.988 17.984 19.000 -0.047 0.000 0.822 447 A HN 0.223 nan 8.150 nan 0.000 0.447 448 V N -0.130 119.738 119.914 -0.075 0.000 2.490 448 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 448 V C 2.592 178.630 176.094 -0.093 0.000 1.061 448 V CA 2.245 64.495 62.300 -0.084 0.000 1.064 448 V CB -0.987 30.782 31.823 -0.090 0.000 0.670 448 V HN 0.643 nan 8.190 nan 0.000 0.461 449 Q N -0.358 119.391 119.800 -0.084 0.000 2.049 449 Q HA -0.177 4.163 4.340 -0.000 0.000 0.198 449 Q C 2.100 178.048 176.000 -0.085 0.000 0.971 449 Q CA 1.624 57.384 55.803 -0.072 0.000 0.833 449 Q CB -0.223 28.488 28.738 -0.044 0.000 0.896 449 Q HN 0.628 nan 8.270 nan 0.000 0.434 450 D N 0.569 120.926 120.400 -0.072 0.000 2.218 450 D HA -0.112 4.527 4.640 -0.000 0.000 0.204 450 D C 1.700 177.944 176.300 -0.095 0.000 0.976 450 D CA 1.127 55.082 54.000 -0.075 0.000 0.853 450 D CB -0.020 40.747 40.800 -0.054 0.000 0.939 450 D HN 0.241 nan 8.370 nan 0.000 0.481 451 A N 0.825 123.590 122.820 -0.092 0.000 1.930 451 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 451 A C 2.288 179.795 177.584 -0.129 0.000 1.175 451 A CA 0.679 52.659 52.037 -0.094 0.000 0.627 451 A CB -0.474 18.477 19.000 -0.081 0.000 0.815 451 A HN 0.169 nan 8.150 nan 0.000 0.443 452 I N -0.821 119.649 120.570 -0.166 0.000 2.716 452 I HA -0.109 4.061 4.170 -0.000 0.000 0.259 452 I C 2.781 178.709 176.117 -0.315 0.000 1.172 452 I CA 0.670 61.831 61.300 -0.232 0.000 1.478 452 I CB -0.167 37.684 38.000 -0.249 0.000 1.104 452 I HN 0.356 nan 8.210 nan 0.000 0.439 453 A N 0.718 123.350 122.820 -0.313 0.000 1.854 453 A HA -0.105 4.215 4.320 -0.000 0.000 0.214 453 A C 2.373 179.802 177.584 -0.258 0.000 1.192 453 A CA 1.253 53.041 52.037 -0.415 0.000 0.611 453 A CB -0.896 17.938 19.000 -0.277 0.000 0.832 453 A HN 0.161 nan 8.150 nan 0.000 0.442 454 V N 0.330 120.150 119.914 -0.155 0.000 2.392 454 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 454 V C 2.699 178.753 176.094 -0.067 0.000 1.059 454 V CA 2.441 64.687 62.300 -0.090 0.000 1.051 454 V CB -0.866 30.919 31.823 -0.062 0.000 0.658 454 V HN 0.623 nan 8.190 nan 0.000 0.455 455 R N 0.255 120.700 120.500 -0.091 0.000 2.081 455 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 455 R C 2.047 178.327 176.300 -0.034 0.000 1.131 455 R CA 1.658 57.724 56.100 -0.056 0.000 0.960 455 R CB -0.675 29.572 30.300 -0.087 0.000 0.856 455 R HN 0.482 nan 8.270 nan 0.000 0.436 456 L N -0.334 120.819 121.223 -0.117 0.000 2.141 456 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 456 L C 2.363 179.261 176.870 0.046 0.000 1.094 456 L CA 1.150 55.941 54.840 -0.083 0.000 0.763 456 L CB -0.582 41.334 42.059 -0.239 0.000 0.908 456 L HN 0.327 nan 8.230 nan 0.000 0.437 457 A N 0.171 123.002 122.820 0.019 0.000 1.898 457 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 457 A C 2.127 179.835 177.584 0.205 0.000 1.181 457 A CA 1.383 53.486 52.037 0.109 0.000 0.620 457 A CB -0.339 18.664 19.000 0.005 0.000 0.819 457 A HN 0.433 nan 8.150 nan 0.000 0.442 458 E N -1.447 118.830 120.200 0.129 0.000 2.038 458 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 458 E C 1.905 178.586 176.600 0.134 0.000 1.000 458 E CA 1.599 58.071 56.400 0.120 0.000 0.803 458 E CB -0.422 29.327 29.700 0.081 0.000 0.750 458 E HN 0.736 nan 8.360 nan 0.000 0.448 459 Y N 1.080 121.393 120.300 0.021 0.000 2.241 459 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 459 Y C 2.035 177.944 175.900 0.015 0.000 1.166 459 Y CA 1.297 59.407 58.100 0.015 0.000 1.203 459 Y CB -0.072 38.398 38.460 0.016 0.000 0.977 459 Y HN -0.002 nan 8.280 nan 0.000 0.529 460 A N -0.427 122.508 122.820 0.192 0.000 2.276 460 A HA 0.353 4.673 4.320 -0.000 0.000 0.212 460 A C 1.537 179.038 177.584 -0.137 0.000 1.230 460 A CA 0.663 52.759 52.037 0.099 0.000 0.844 460 A CB -1.395 17.759 19.000 0.257 0.000 0.860 460 A HN 0.826 nan 8.150 nan 0.000 0.486 461 G N -0.106 108.614 108.800 -0.134 0.000 2.291 461 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.271 461 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.271 461 G C -0.301 174.401 174.900 -0.330 0.000 1.099 461 G CA 0.188 45.158 45.100 -0.216 0.000 0.919 461 G HN 0.683 nan 8.290 nan 0.000 0.496 462 H N -0.660 118.415 119.070 0.009 0.000 2.637 462 H HA 0.668 5.224 4.556 -0.000 0.000 0.363 462 H C -0.002 175.330 175.328 0.007 0.000 1.131 462 H CA -0.276 55.779 56.048 0.011 0.000 1.183 462 H CB 2.175 31.948 29.762 0.018 0.000 1.637 462 H HN 0.390 nan 8.280 nan 0.000 0.531 463 Q N 0.119 120.001 119.800 0.137 0.000 2.451 463 Q HA 0.567 4.907 4.340 -0.000 0.000 0.281 463 Q C -0.610 175.424 176.000 0.057 0.000 1.099 463 Q CA -0.978 54.868 55.803 0.072 0.000 0.806 463 Q CB 2.270 31.033 28.738 0.041 0.000 1.419 463 Q HN 0.787 nan 8.270 nan 0.000 0.427 464 A N 2.996 125.836 122.820 0.034 0.000 2.563 464 A HA 0.247 4.566 4.320 -0.000 0.000 0.256 464 A C -1.679 175.918 177.584 0.021 0.000 1.056 464 A CA -0.548 51.502 52.037 0.021 0.000 0.775 464 A CB -1.049 17.958 19.000 0.012 0.000 0.973 464 A HN 0.479 nan 8.150 nan 0.000 0.516 465 P HA 0.557 nan 4.420 nan 0.000 0.280 465 P C -0.004 177.305 177.300 0.014 0.000 1.278 465 P CA 0.799 63.911 63.100 0.020 0.000 0.787 465 P CB 0.542 32.251 31.700 0.016 0.000 1.163 466 E N 0.000 120.208 120.200 0.014 0.000 2.725 466 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440