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 3kbc_1_C DATA FIRST_RESID 6 DATA SEQUENCE KYIEYPVLQK ILIGLILGAI VGLILGHYGY AHAVHTYVKP FGDLFVRLLC DATA SEQUENCE MLVMPIVFAS LVVGAASISP ARLGRVGVKI VVYYLLTSAF AVTLGIIMAR DATA SEQUENCE LFNPGAGIHL AVGGQQFQPH QAPPLVHILL DIVPTNPFGA LANGQVLPTI DATA SEQUENCE FFAIILGIAI TYLMNSENEK VRKSAETLLD AINGLAEAMY KIVNGVMQYA DATA SEQUENCE PIGVFALIAY VMAEQGVHVV GELAKVTAAV YVGLTLQILL VYFVLLKIYG DATA SEQUENCE IDPISFIKHA KDAMLTAFVT RSSSGTLPVT MRVAKEMGIS EGIYSFTLPL DATA SEQUENCE GATINMDGTA LYQGVATFFI ANALGSHLTV GQQLTIVLTA VLASIGTAGV DATA SEQUENCE PGAGAIMLCM VLHSVGLPLT DPNVAAAYAM ILGIDAILDM GRTMVNVTGD DATA SEQUENCE LTGTAIVAKT E 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.825 176.600 0.375 0.000 0.988 6 K CA 0.000 56.366 56.287 0.132 0.000 0.838 6 K CB 0.000 32.534 32.500 0.057 0.000 1.064 7 Y N 0.682 120.984 120.300 0.004 0.000 2.805 7 Y HA -0.209 4.341 4.550 -0.000 0.000 0.471 7 Y C 0.643 176.537 175.900 -0.008 0.000 1.367 7 Y CA 0.624 58.719 58.100 -0.008 0.000 2.344 7 Y CB -1.377 37.082 38.460 -0.002 0.000 0.975 7 Y HN 0.350 nan 8.280 nan 0.000 0.500 8 I N 3.667 124.358 120.570 0.201 0.000 3.477 8 I HA -0.212 3.958 4.170 -0.000 0.000 0.295 8 I C 0.672 176.844 176.117 0.092 0.000 1.225 8 I CA 1.058 62.450 61.300 0.154 0.000 1.431 8 I CB 0.167 38.243 38.000 0.127 0.000 1.516 8 I HN 0.291 nan 8.210 nan 0.000 0.603 9 E N 5.510 125.730 120.200 0.032 0.000 2.514 9 E HA 0.062 4.412 4.350 -0.000 0.000 0.215 9 E C -0.011 176.570 176.600 -0.033 0.000 0.946 9 E CA -0.122 56.259 56.400 -0.032 0.000 1.038 9 E CB 0.021 29.666 29.700 -0.092 0.000 1.069 9 E HN 0.594 nan 8.360 nan 0.000 0.503 10 Y N 2.702 123.012 120.300 0.017 0.000 2.748 10 Y HA -0.083 4.467 4.550 -0.000 0.000 0.352 10 Y C -1.445 174.460 175.900 0.009 0.000 1.274 10 Y CA -0.383 57.723 58.100 0.009 0.000 1.472 10 Y CB -0.460 38.001 38.460 0.001 0.000 1.350 10 Y HN -0.083 nan 8.280 nan 0.000 0.672 11 P HA 0.003 nan 4.420 nan 0.000 0.263 11 P C 0.883 178.236 177.300 0.088 0.000 1.601 11 P CA 0.212 63.377 63.100 0.108 0.000 1.161 11 P CB 0.025 31.782 31.700 0.095 0.000 1.730 12 V N 3.039 123.000 119.914 0.078 0.000 2.310 12 V HA -0.376 3.744 4.120 -0.000 0.000 0.263 12 V C 2.068 178.181 176.094 0.031 0.000 1.108 12 V CA 2.359 64.693 62.300 0.056 0.000 1.104 12 V CB -2.156 29.700 31.823 0.054 0.000 0.736 12 V HN 0.353 nan 8.190 nan 0.000 0.456 13 L N -0.218 121.019 121.223 0.023 0.000 1.963 13 L HA -0.341 3.999 4.340 -0.000 0.000 0.220 13 L C 2.867 179.735 176.870 -0.002 0.000 1.076 13 L CA 2.838 57.678 54.840 0.002 0.000 0.772 13 L CB -0.359 41.696 42.059 -0.006 0.000 0.892 13 L HN 0.435 nan 8.230 nan 0.000 0.435 14 Q N -0.063 119.741 119.800 0.007 0.000 2.083 14 Q HA -0.218 4.122 4.340 -0.000 0.000 0.198 14 Q C 2.076 178.051 176.000 -0.042 0.000 0.969 14 Q CA 1.743 57.538 55.803 -0.013 0.000 0.838 14 Q CB -0.391 28.344 28.738 -0.006 0.000 0.900 14 Q HN 0.424 nan 8.270 nan 0.000 0.436 15 K N 0.294 120.678 120.400 -0.027 0.000 2.293 15 K HA -0.183 4.137 4.320 -0.000 0.000 0.204 15 K C 1.395 177.961 176.600 -0.057 0.000 1.045 15 K CA 1.174 57.430 56.287 -0.053 0.000 0.933 15 K CB -0.064 32.460 32.500 0.041 0.000 0.736 15 K HN 0.255 nan 8.250 nan 0.000 0.463 16 I N -0.130 120.418 120.570 -0.036 0.000 2.927 16 I HA -0.133 4.037 4.170 -0.000 0.000 0.268 16 I C 1.770 177.863 176.117 -0.040 0.000 1.153 16 I CA 0.162 61.438 61.300 -0.040 0.000 1.459 16 I CB 0.014 38.000 38.000 -0.024 0.000 1.149 16 I HN 0.052 nan 8.210 nan 0.000 0.443 17 L N 0.895 122.097 121.223 -0.034 0.000 2.265 17 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 17 L C 2.427 179.280 176.870 -0.029 0.000 1.117 17 L CA 0.822 55.646 54.840 -0.028 0.000 0.782 17 L CB -0.410 41.636 42.059 -0.022 0.000 0.914 17 L HN 0.272 nan 8.230 nan 0.000 0.441 18 I N 0.082 120.624 120.570 -0.047 0.000 2.286 18 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 18 I C 2.648 178.766 176.117 0.000 0.000 1.104 18 I CA 1.530 62.799 61.300 -0.052 0.000 1.397 18 I CB -1.771 36.158 38.000 -0.117 0.000 1.072 18 I HN 0.199 nan 8.210 nan 0.000 0.417 19 G N 1.050 109.856 108.800 0.009 0.000 2.408 19 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 19 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 19 G C 1.728 176.711 174.900 0.138 0.000 1.150 19 G CA 0.469 45.651 45.100 0.136 0.000 0.776 19 G HN 0.279 nan 8.290 nan 0.000 0.542 20 L N 0.946 122.182 121.223 0.022 0.000 1.961 20 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 20 L C 2.597 179.455 176.870 -0.020 0.000 1.072 20 L CA 1.499 56.327 54.840 -0.021 0.000 0.749 20 L CB -0.484 41.557 42.059 -0.030 0.000 0.889 20 L HN 0.099 nan 8.230 nan 0.000 0.432 21 I N -0.586 119.981 120.570 -0.005 0.000 2.286 21 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 21 I C 2.489 178.613 176.117 0.010 0.000 1.115 21 I CA 1.190 62.487 61.300 -0.006 0.000 1.392 21 I CB -1.364 36.633 38.000 -0.006 0.000 1.065 21 I HN 0.359 nan 8.210 nan 0.000 0.418 22 L N 1.367 122.625 121.223 0.059 0.000 2.109 22 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 22 L C 2.364 179.317 176.870 0.138 0.000 1.086 22 L CA 1.873 56.793 54.840 0.133 0.000 0.760 22 L CB -1.104 41.068 42.059 0.189 0.000 0.910 22 L HN 0.168 nan 8.230 nan 0.000 0.437 23 G N -1.028 107.757 108.800 -0.024 0.000 2.408 23 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 23 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 23 G C 1.610 176.303 174.900 -0.346 0.000 1.150 23 G CA 0.699 45.417 45.100 -0.637 0.000 0.776 23 G HN 0.592 nan 8.290 nan 0.000 0.542 24 A N 0.827 123.546 122.820 -0.169 0.000 1.883 24 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 24 A C 2.317 179.853 177.584 -0.080 0.000 1.186 24 A CA 1.705 53.678 52.037 -0.108 0.000 0.624 24 A CB -0.358 18.606 19.000 -0.062 0.000 0.822 24 A HN 0.292 nan 8.150 nan 0.000 0.444 25 I N -0.285 120.254 120.570 -0.052 0.000 2.202 25 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 25 I C 2.349 178.446 176.117 -0.033 0.000 1.091 25 I CA 1.025 62.309 61.300 -0.026 0.000 1.368 25 I CB -0.790 37.207 38.000 -0.006 0.000 1.058 25 I HN 0.108 nan 8.210 nan 0.000 0.410 26 V N 1.038 120.928 119.914 -0.040 0.000 2.594 26 V HA -0.199 3.920 4.120 -0.000 0.000 0.253 26 V C 2.474 178.530 176.094 -0.063 0.000 1.069 26 V CA 1.946 64.229 62.300 -0.028 0.000 1.082 26 V CB -1.642 30.200 31.823 0.031 0.000 0.680 26 V HN 0.579 nan 8.190 nan 0.000 0.469 27 G N -0.039 108.694 108.800 -0.111 0.000 2.404 27 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.214 27 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.214 27 G C 1.414 176.286 174.900 -0.047 0.000 1.189 27 G CA 0.552 45.595 45.100 -0.094 0.000 0.789 27 G HN 0.316 nan 8.290 nan 0.000 0.533 28 L N 1.882 123.084 121.223 -0.035 0.000 1.970 28 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 28 L C 3.091 179.996 176.870 0.058 0.000 1.071 28 L CA 1.864 56.705 54.840 0.001 0.000 0.751 28 L CB -1.611 40.456 42.059 0.012 0.000 0.889 28 L HN 0.509 nan 8.230 nan 0.000 0.432 29 I N -1.653 118.940 120.570 0.040 0.000 2.181 29 I HA -0.331 3.839 4.170 -0.000 0.000 0.247 29 I C 2.031 178.206 176.117 0.097 0.000 1.081 29 I CA 1.730 63.044 61.300 0.024 0.000 1.340 29 I CB -0.669 37.266 38.000 -0.109 0.000 1.036 29 I HN 0.127 nan 8.210 nan 0.000 0.417 30 L N 1.980 123.241 121.223 0.063 0.000 2.599 30 L HA 0.206 4.545 4.340 -0.000 0.000 0.230 30 L C 2.538 179.468 176.870 0.100 0.000 1.141 30 L CA 1.202 56.102 54.840 0.100 0.000 0.877 30 L CB -1.218 40.875 42.059 0.057 0.000 1.009 30 L HN 0.337 nan 8.230 nan 0.000 0.447 31 G N -1.150 107.694 108.800 0.073 0.000 2.433 31 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 31 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 31 G C 0.995 175.850 174.900 -0.075 0.000 1.186 31 G CA 0.532 45.597 45.100 -0.058 0.000 0.779 31 G HN 0.379 nan 8.290 nan 0.000 0.543 32 H N -1.910 117.259 119.070 0.165 0.000 2.885 32 H HA 0.436 4.992 4.556 -0.000 0.000 0.263 32 H C 0.699 176.162 175.328 0.226 0.000 1.564 32 H CA -0.254 55.841 56.048 0.079 0.000 1.632 32 H CB 0.198 29.913 29.762 -0.079 0.000 1.650 32 H HN 0.245 nan 8.280 nan 0.000 0.928 33 Y N -0.867 119.535 120.300 0.170 0.000 2.896 33 Y HA -0.301 4.248 4.550 -0.000 0.000 0.464 33 Y C 1.459 177.400 175.900 0.067 0.000 1.198 33 Y CA 0.716 58.870 58.100 0.090 0.000 2.486 33 Y CB -1.540 36.967 38.460 0.079 0.000 1.234 33 Y HN 0.853 nan 8.280 nan 0.000 0.634 34 G N 0.655 109.617 108.800 0.269 0.000 2.148 34 G HA2 0.296 4.256 3.960 -0.000 0.000 0.275 34 G HA3 0.296 4.256 3.960 -0.000 0.000 0.275 34 G C 0.010 174.996 174.900 0.143 0.000 0.979 34 G CA 0.227 45.426 45.100 0.164 0.000 1.154 34 G HN 1.207 nan 8.290 nan 0.000 0.377 35 Y N 0.358 120.728 120.300 0.117 0.000 2.903 35 Y HA 0.296 4.846 4.550 -0.000 0.000 0.338 35 Y C 1.724 177.699 175.900 0.126 0.000 1.265 35 Y CA -0.056 58.104 58.100 0.100 0.000 1.532 35 Y CB 0.075 38.587 38.460 0.087 0.000 1.293 35 Y HN 1.313 nan 8.280 nan 0.000 0.609 36 A N 0.915 123.785 122.820 0.083 0.000 2.131 36 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 36 A C 1.830 179.507 177.584 0.155 0.000 1.158 36 A CA 1.793 53.876 52.037 0.076 0.000 0.665 36 A CB -1.101 17.875 19.000 -0.041 0.000 0.795 36 A HN 1.264 nan 8.150 nan 0.000 0.460 37 H N 0.232 119.355 119.070 0.089 0.000 2.357 37 H HA -0.160 4.396 4.556 -0.000 0.000 0.296 37 H C 2.130 177.584 175.328 0.210 0.000 1.108 37 H CA 2.211 58.340 56.048 0.134 0.000 1.273 37 H CB -0.165 29.648 29.762 0.086 0.000 1.367 37 H HN 0.437 nan 8.280 nan 0.000 0.498 38 A N -0.279 122.721 122.820 0.301 0.000 1.972 38 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 38 A C 2.655 180.432 177.584 0.321 0.000 1.169 38 A CA 1.655 53.890 52.037 0.330 0.000 0.635 38 A CB -0.745 18.420 19.000 0.275 0.000 0.810 38 A HN 0.347 nan 8.150 nan 0.000 0.446 39 V N -0.445 119.615 119.914 0.244 0.000 2.323 39 V HA -0.211 3.909 4.120 -0.000 0.000 0.244 39 V C 2.387 178.648 176.094 0.278 0.000 1.041 39 V CA 1.824 64.273 62.300 0.249 0.000 1.025 39 V CB -0.986 30.951 31.823 0.189 0.000 0.656 39 V HN 0.808 nan 8.190 nan 0.000 0.451 40 H N -0.016 119.168 119.070 0.191 0.000 2.568 40 H HA -0.075 4.481 4.556 -0.000 0.000 0.281 40 H C 1.656 176.955 175.328 -0.048 0.000 1.028 40 H CA 1.529 57.701 56.048 0.207 0.000 1.199 40 H CB 0.286 30.182 29.762 0.223 0.000 1.352 40 H HN 0.448 nan 8.280 nan 0.000 0.605 41 T N -1.446 113.060 114.554 -0.081 0.000 2.987 41 T HA 0.044 4.394 4.350 -0.000 0.000 0.248 41 T C 0.807 175.232 174.700 -0.459 0.000 0.997 41 T CA 0.128 62.029 62.100 -0.332 0.000 1.013 41 T CB 0.090 68.706 68.868 -0.420 0.000 1.077 41 T HN 0.314 nan 8.240 nan 0.000 0.483 42 Y N -0.123 120.216 120.300 0.064 0.000 2.430 42 Y HA 0.391 4.941 4.550 -0.000 0.000 0.254 42 Y C 1.966 178.016 175.900 0.249 0.000 1.088 42 Y CA -0.229 57.949 58.100 0.131 0.000 1.267 42 Y CB 0.483 39.031 38.460 0.147 0.000 1.204 42 Y HN -0.037 nan 8.280 nan 0.000 0.515 43 V N 0.034 120.152 119.914 0.340 0.000 2.521 43 V HA -0.119 4.001 4.120 -0.000 0.000 0.239 43 V C 2.214 178.479 176.094 0.285 0.000 1.053 43 V CA 1.364 63.877 62.300 0.354 0.000 1.073 43 V CB -0.229 31.752 31.823 0.263 0.000 0.746 43 V HN 0.153 nan 8.190 nan 0.000 0.476 44 K N 1.008 121.473 120.400 0.109 0.000 2.113 44 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 44 K C -0.260 176.288 176.600 -0.087 0.000 1.047 44 K CA 1.937 58.174 56.287 -0.084 0.000 0.928 44 K CB -1.112 31.130 32.500 -0.430 0.000 0.716 44 K HN 0.402 nan 8.250 nan 0.000 0.446 45 P HA -0.195 nan 4.420 nan 0.000 0.217 45 P C 0.963 178.157 177.300 -0.176 0.000 1.151 45 P CA 1.536 64.499 63.100 -0.230 0.000 0.849 45 P CB -0.180 31.299 31.700 -0.368 0.000 0.787 46 F N 0.066 120.068 119.950 0.087 0.000 2.259 46 F HA 0.083 4.610 4.527 -0.000 0.000 0.298 46 F C 2.741 178.683 175.800 0.235 0.000 1.088 46 F CA 1.364 59.483 58.000 0.199 0.000 1.358 46 F CB -1.579 37.548 39.000 0.213 0.000 1.040 46 F HN -0.051 nan 8.300 nan 0.000 0.505 47 G N -0.365 108.616 108.800 0.301 0.000 2.443 47 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 47 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 47 G C 1.157 176.194 174.900 0.229 0.000 1.131 47 G CA 1.009 46.238 45.100 0.215 0.000 0.775 47 G HN 0.224 nan 8.290 nan 0.000 0.547 48 D N 0.077 120.553 120.400 0.128 0.000 2.149 48 D HA -0.036 4.604 4.640 -0.000 0.000 0.206 48 D C 2.339 178.704 176.300 0.108 0.000 0.967 48 D CA 0.144 54.191 54.000 0.078 0.000 0.848 48 D CB -0.478 40.301 40.800 -0.036 0.000 0.998 48 D HN 0.189 nan 8.370 nan 0.000 0.474 49 L N 0.312 121.596 121.223 0.101 0.000 2.043 49 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 49 L C 2.058 178.973 176.870 0.075 0.000 1.075 49 L CA 1.512 56.374 54.840 0.038 0.000 0.752 49 L CB -0.785 41.278 42.059 0.008 0.000 0.891 49 L HN 0.004 nan 8.230 nan 0.000 0.432 50 F N -0.828 119.195 119.950 0.122 0.000 2.075 50 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 50 F C 2.232 178.107 175.800 0.124 0.000 1.113 50 F CA 2.101 60.213 58.000 0.186 0.000 1.218 50 F CB -0.507 38.723 39.000 0.382 0.000 0.984 50 F HN -0.094 nan 8.300 nan 0.000 0.472 51 V N 1.119 121.218 119.914 0.309 0.000 2.469 51 V HA -0.321 3.799 4.120 -0.000 0.000 0.251 51 V C 2.408 178.526 176.094 0.041 0.000 1.064 51 V CA 2.324 64.746 62.300 0.204 0.000 1.066 51 V CB -0.782 31.192 31.823 0.252 0.000 0.667 51 V HN 0.332 nan 8.190 nan 0.000 0.461 52 R N -0.402 120.099 120.500 0.002 0.000 2.075 52 R HA 0.048 4.388 4.340 -0.000 0.000 0.226 52 R C 2.307 178.554 176.300 -0.088 0.000 1.114 52 R CA 0.988 57.063 56.100 -0.043 0.000 0.972 52 R CB -0.410 29.864 30.300 -0.043 0.000 0.869 52 R HN 0.389 nan 8.270 nan 0.000 0.437 53 L N 0.773 121.916 121.223 -0.133 0.000 2.137 53 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 53 L C 1.924 178.693 176.870 -0.167 0.000 1.085 53 L CA 1.089 55.829 54.840 -0.166 0.000 0.760 53 L CB -0.496 41.429 42.059 -0.224 0.000 0.893 53 L HN 0.146 nan 8.230 nan 0.000 0.434 54 L N -1.330 119.778 121.223 -0.192 0.000 2.102 54 L HA -0.098 4.242 4.340 -0.000 0.000 0.202 54 L C 2.541 179.373 176.870 -0.064 0.000 1.076 54 L CA 1.296 56.054 54.840 -0.137 0.000 0.761 54 L CB -1.147 40.830 42.059 -0.137 0.000 0.921 54 L HN 0.219 nan 8.230 nan 0.000 0.444 55 C N -0.444 118.828 119.300 -0.047 0.000 2.409 55 C HA -0.180 4.280 4.460 -0.000 0.000 0.284 55 C C 2.886 177.845 174.990 -0.051 0.000 1.354 55 C CA 0.599 59.594 59.018 -0.037 0.000 1.787 55 C CB -0.966 26.747 27.740 -0.045 0.000 1.900 55 C HN 0.570 nan 8.230 nan 0.000 0.520 56 M N 0.491 120.051 119.600 -0.066 0.000 2.065 56 M HA -0.173 4.307 4.480 -0.000 0.000 0.259 56 M C 2.080 178.337 176.300 -0.072 0.000 1.071 56 M CA 2.058 57.315 55.300 -0.071 0.000 1.109 56 M CB -0.281 32.271 32.600 -0.079 0.000 1.313 56 M HN 0.331 nan 8.290 nan 0.000 0.408 57 L N -0.558 120.618 121.223 -0.080 0.000 2.083 57 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 57 L C 2.552 179.377 176.870 -0.074 0.000 1.083 57 L CA 0.975 55.761 54.840 -0.090 0.000 0.752 57 L CB -1.119 40.873 42.059 -0.111 0.000 0.899 57 L HN 0.348 nan 8.230 nan 0.000 0.433 58 V N 0.248 120.131 119.914 -0.051 0.000 2.311 58 V HA -0.410 3.710 4.120 -0.000 0.000 0.259 58 V C 2.530 178.603 176.094 -0.036 0.000 1.086 58 V CA 2.258 64.541 62.300 -0.029 0.000 1.078 58 V CB -0.144 31.674 31.823 -0.008 0.000 0.668 58 V HN 0.368 nan 8.190 nan 0.000 0.452 59 M N -0.647 118.919 119.600 -0.056 0.000 2.115 59 M HA 0.053 4.532 4.480 -0.000 0.000 0.261 59 M C 0.351 176.652 176.300 0.001 0.000 1.079 59 M CA 1.875 57.150 55.300 -0.043 0.000 1.143 59 M CB -2.692 29.861 32.600 -0.079 0.000 1.332 59 M HN 0.302 nan 8.290 nan 0.000 0.421 60 P HA -0.132 nan 4.420 nan 0.000 0.216 60 P C 1.727 179.060 177.300 0.055 0.000 1.150 60 P CA 1.330 64.436 63.100 0.010 0.000 0.843 60 P CB -0.489 31.190 31.700 -0.036 0.000 0.787 61 I N -4.217 116.341 120.570 -0.019 0.000 2.333 61 I HA -0.107 4.063 4.170 -0.000 0.000 0.246 61 I C 1.782 177.923 176.117 0.040 0.000 1.106 61 I CA 1.168 62.443 61.300 -0.042 0.000 1.411 61 I CB -1.234 36.669 38.000 -0.162 0.000 1.082 61 I HN -0.263 nan 8.210 nan 0.000 0.420 62 V N 1.037 120.985 119.914 0.057 0.000 2.688 62 V HA -0.251 3.869 4.120 -0.000 0.000 0.256 62 V C 2.196 178.364 176.094 0.124 0.000 1.084 62 V CA 2.140 64.487 62.300 0.079 0.000 1.103 62 V CB -1.047 30.819 31.823 0.071 0.000 0.688 62 V HN 0.565 nan 8.190 nan 0.000 0.480 63 F N 0.964 120.914 119.950 0.001 0.000 2.204 63 F HA 0.259 4.786 4.527 -0.000 0.000 0.276 63 F C 2.343 178.153 175.800 0.017 0.000 1.085 63 F CA 1.182 59.191 58.000 0.016 0.000 1.160 63 F CB -0.630 38.376 39.000 0.011 0.000 1.091 63 F HN 0.001 nan 8.300 nan 0.000 0.522 64 A N -0.417 122.503 122.820 0.167 0.000 1.917 64 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 64 A C 2.318 179.877 177.584 -0.042 0.000 1.182 64 A CA 2.187 54.239 52.037 0.025 0.000 0.633 64 A CB -1.573 17.514 19.000 0.144 0.000 0.819 64 A HN 0.519 nan 8.150 nan 0.000 0.448 65 S N -0.782 114.929 115.700 0.020 0.000 2.383 65 S HA -0.094 4.376 4.470 -0.000 0.000 0.229 65 S C 1.770 176.356 174.600 -0.024 0.000 1.030 65 S CA 1.594 59.822 58.200 0.047 0.000 1.002 65 S CB -0.397 62.856 63.200 0.088 0.000 0.829 65 S HN 0.508 nan 8.310 nan 0.000 0.467 66 L N 0.423 121.593 121.223 -0.087 0.000 2.354 66 L HA 0.123 4.463 4.340 -0.000 0.000 0.212 66 L C 2.282 179.039 176.870 -0.189 0.000 1.091 66 L CA 0.253 55.024 54.840 -0.115 0.000 0.828 66 L CB -0.295 41.711 42.059 -0.089 0.000 0.973 66 L HN 0.176 nan 8.230 nan 0.000 0.461 67 V N -0.398 119.336 119.914 -0.300 0.000 2.407 67 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 67 V C 2.378 178.358 176.094 -0.189 0.000 1.055 67 V CA 1.382 63.491 62.300 -0.318 0.000 1.049 67 V CB -0.175 31.378 31.823 -0.451 0.000 0.662 67 V HN 0.194 nan 8.190 nan 0.000 0.455 68 V N 0.830 120.658 119.914 -0.142 0.000 2.323 68 V HA -0.072 4.048 4.120 -0.000 0.000 0.244 68 V C 2.692 178.730 176.094 -0.094 0.000 1.041 68 V CA 1.990 64.233 62.300 -0.095 0.000 1.025 68 V CB -1.407 30.382 31.823 -0.057 0.000 0.656 68 V HN 0.567 nan 8.190 nan 0.000 0.451 69 G N -0.057 108.691 108.800 -0.086 0.000 2.469 69 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 69 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 69 G C 1.771 176.618 174.900 -0.087 0.000 1.150 69 G CA 1.301 46.352 45.100 -0.082 0.000 0.763 69 G HN 0.606 nan 8.290 nan 0.000 0.561 70 A N 1.252 124.014 122.820 -0.098 0.000 1.877 70 A HA 0.243 4.562 4.320 -0.000 0.000 0.216 70 A C 2.830 180.361 177.584 -0.089 0.000 1.186 70 A CA 2.391 54.371 52.037 -0.096 0.000 0.620 70 A CB -0.921 18.003 19.000 -0.127 0.000 0.822 70 A HN 0.944 nan 8.150 nan 0.000 0.443 71 A N -0.699 122.061 122.820 -0.100 0.000 2.070 71 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 71 A C 1.932 179.464 177.584 -0.087 0.000 1.159 71 A CA 1.660 53.640 52.037 -0.094 0.000 0.656 71 A CB -0.552 18.392 19.000 -0.093 0.000 0.800 71 A HN 0.403 nan 8.150 nan 0.000 0.453 72 S N -0.912 114.735 115.700 -0.088 0.000 2.685 72 S HA 0.442 4.912 4.470 -0.000 0.000 0.240 72 S C 0.530 175.086 174.600 -0.074 0.000 0.967 72 S CA 0.106 58.250 58.200 -0.094 0.000 1.009 72 S CB -0.339 62.788 63.200 -0.123 0.000 0.776 72 S HN 0.559 nan 8.310 nan 0.000 0.467 73 I N -0.738 119.801 120.570 -0.052 0.000 4.262 73 I HA 0.022 4.192 4.170 -0.000 0.000 0.382 73 I C -0.432 175.675 176.117 -0.016 0.000 1.146 73 I CA -0.046 61.242 61.300 -0.019 0.000 1.201 73 I CB 0.449 38.439 38.000 -0.017 0.000 2.367 73 I HN -0.062 nan 8.210 nan 0.000 0.758 74 S N 5.864 121.536 115.700 -0.046 0.000 2.589 74 S HA 0.090 4.560 4.470 -0.000 0.000 0.306 74 S C -2.214 172.350 174.600 -0.059 0.000 1.221 74 S CA -0.247 57.918 58.200 -0.059 0.000 1.159 74 S CB -0.308 62.811 63.200 -0.136 0.000 0.990 74 S HN 0.140 nan 8.310 nan 0.000 0.514 75 P HA 0.398 nan 4.420 nan 0.000 0.292 75 P C -1.020 176.345 177.300 0.108 0.000 1.326 75 P CA -0.466 62.657 63.100 0.037 0.000 0.787 75 P CB 0.926 32.662 31.700 0.060 0.000 0.903 76 A N 3.518 126.361 122.820 0.039 0.000 2.312 76 A HA 0.792 5.112 4.320 -0.000 0.000 0.326 76 A C 0.943 178.433 177.584 -0.157 0.000 1.172 76 A CA -0.407 51.606 52.037 -0.040 0.000 0.821 76 A CB 0.693 19.692 19.000 -0.002 0.000 1.166 76 A HN 0.509 nan 8.150 nan 0.000 0.493 77 R N 1.094 121.534 120.500 -0.100 0.000 2.344 77 R HA 0.388 4.728 4.340 -0.000 0.000 0.186 77 R C -0.452 175.834 176.300 -0.024 0.000 0.603 77 R CA 0.666 56.700 56.100 -0.109 0.000 0.827 77 R CB -1.424 28.778 30.300 -0.164 0.000 1.419 77 R HN 1.577 nan 8.270 nan 0.000 0.489 78 L N -2.313 118.914 121.223 0.007 0.000 2.410 78 L HA 0.995 5.335 4.340 -0.000 0.000 0.270 78 L C 0.521 177.382 176.870 -0.016 0.000 0.983 78 L CA -1.233 53.649 54.840 0.069 0.000 0.822 78 L CB 2.037 44.195 42.059 0.164 0.000 1.285 78 L HN 0.152 nan 8.230 nan 0.000 0.409 79 G N 1.621 110.355 108.800 -0.110 0.000 2.825 79 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.241 79 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.241 79 G C 0.349 175.172 174.900 -0.128 0.000 1.239 79 G CA -0.224 44.775 45.100 -0.167 0.000 0.859 79 G HN 0.970 nan 8.290 nan 0.000 0.598 80 R N -0.101 120.338 120.500 -0.101 0.000 2.335 80 R HA 0.138 4.478 4.340 -0.000 0.000 0.223 80 R C 1.847 178.100 176.300 -0.078 0.000 0.940 80 R CA 0.148 56.213 56.100 -0.059 0.000 1.086 80 R CB -0.047 30.232 30.300 -0.035 0.000 1.073 80 R HN 0.330 nan 8.270 nan 0.000 0.504 81 V N -0.852 118.965 119.914 -0.162 0.000 2.951 81 V HA 0.123 4.243 4.120 -0.000 0.000 0.255 81 V C 1.477 177.482 176.094 -0.147 0.000 1.088 81 V CA 1.837 64.025 62.300 -0.186 0.000 1.109 81 V CB 0.541 32.177 31.823 -0.312 0.000 0.724 81 V HN 0.485 nan 8.190 nan 0.000 0.471 82 G N -0.704 108.010 108.800 -0.143 0.000 2.497 82 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.210 82 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.210 82 G C 1.534 176.528 174.900 0.157 0.000 1.177 82 G CA 0.891 46.080 45.100 0.147 0.000 0.822 82 G HN 0.318 nan 8.290 nan 0.000 0.550 83 V N 1.411 121.375 119.914 0.083 0.000 2.311 83 V HA -0.358 3.762 4.120 -0.000 0.000 0.256 83 V C 2.805 178.958 176.094 0.097 0.000 1.077 83 V CA 2.624 64.974 62.300 0.083 0.000 1.067 83 V CB -0.546 31.303 31.823 0.044 0.000 0.659 83 V HN 0.389 nan 8.190 nan 0.000 0.451 84 K N -0.661 119.783 120.400 0.073 0.000 1.985 84 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 84 K C 2.135 178.802 176.600 0.112 0.000 1.047 84 K CA 1.806 58.135 56.287 0.069 0.000 0.932 84 K CB -0.490 32.022 32.500 0.020 0.000 0.716 84 K HN 0.359 nan 8.250 nan 0.000 0.439 85 I N 1.462 122.111 120.570 0.131 0.000 2.194 85 I HA -0.269 3.901 4.170 -0.000 0.000 0.246 85 I C 1.930 178.271 176.117 0.373 0.000 1.093 85 I CA 1.334 62.741 61.300 0.178 0.000 1.355 85 I CB -0.142 38.040 38.000 0.304 0.000 1.046 85 I HN -0.074 nan 8.210 nan 0.000 0.413 86 V N -0.071 120.066 119.914 0.372 0.000 2.255 86 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 86 V C 2.540 178.805 176.094 0.286 0.000 1.051 86 V CA 1.977 64.498 62.300 0.368 0.000 1.018 86 V CB -0.868 31.082 31.823 0.212 0.000 0.641 86 V HN 0.341 nan 8.190 nan 0.000 0.445 87 V N -0.763 119.265 119.914 0.190 0.000 2.453 87 V HA -0.334 3.786 4.120 -0.000 0.000 0.252 87 V C 2.124 178.290 176.094 0.119 0.000 1.068 87 V CA 2.515 64.893 62.300 0.129 0.000 1.070 87 V CB -0.955 30.926 31.823 0.097 0.000 0.664 87 V HN 0.679 nan 8.190 nan 0.000 0.461 88 Y N 0.195 120.506 120.300 0.017 0.000 2.070 88 Y HA -0.285 4.264 4.550 -0.000 0.000 0.279 88 Y C 2.449 178.302 175.900 -0.078 0.000 1.134 88 Y CA 1.854 59.897 58.100 -0.094 0.000 1.113 88 Y CB -0.614 37.695 38.460 -0.251 0.000 0.981 88 Y HN 0.266 nan 8.280 nan 0.000 0.487 89 Y N -0.134 120.292 120.300 0.211 0.000 2.069 89 Y HA -0.349 4.201 4.550 -0.001 0.000 0.278 89 Y C 2.234 178.117 175.900 -0.027 0.000 1.175 89 Y CA 1.687 59.846 58.100 0.098 0.000 1.134 89 Y CB -1.124 37.430 38.460 0.156 0.000 0.965 89 Y HN 0.146 nan 8.280 nan 0.000 0.498 90 L N -0.314 121.005 121.223 0.159 0.000 1.971 90 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 90 L C 2.385 179.266 176.870 0.018 0.000 1.072 90 L CA 1.691 56.582 54.840 0.084 0.000 0.758 90 L CB -1.484 40.623 42.059 0.080 0.000 0.889 90 L HN 0.223 nan 8.230 nan 0.000 0.433 91 L N -0.779 120.422 121.223 -0.037 0.000 2.129 91 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 91 L C 2.648 179.449 176.870 -0.116 0.000 1.087 91 L CA 1.817 56.616 54.840 -0.069 0.000 0.757 91 L CB -1.276 40.722 42.059 -0.102 0.000 0.896 91 L HN 0.589 nan 8.230 nan 0.000 0.434 92 T N -4.394 110.000 114.554 -0.267 0.000 2.737 92 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 92 T C 2.004 176.685 174.700 -0.032 0.000 1.038 92 T CA 1.425 63.354 62.100 -0.285 0.000 1.144 92 T CB -0.372 68.203 68.868 -0.489 0.000 0.866 92 T HN 0.198 nan 8.240 nan 0.000 0.434 93 S N 1.834 117.545 115.700 0.018 0.000 2.387 93 S HA 0.250 4.720 4.470 -0.000 0.000 0.226 93 S C 2.633 177.283 174.600 0.083 0.000 1.026 93 S CA 0.741 58.990 58.200 0.081 0.000 0.972 93 S CB -0.770 62.490 63.200 0.100 0.000 0.814 93 S HN 0.750 nan 8.310 nan 0.000 0.477 94 A N 0.706 123.572 122.820 0.077 0.000 1.940 94 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 94 A C 1.876 179.521 177.584 0.101 0.000 1.176 94 A CA 1.344 53.430 52.037 0.081 0.000 0.631 94 A CB -0.687 18.358 19.000 0.075 0.000 0.814 94 A HN 0.533 nan 8.150 nan 0.000 0.446 95 F N 0.315 120.250 119.950 -0.025 0.000 2.335 95 F HA 0.219 4.746 4.527 -0.000 0.000 0.296 95 F C 2.429 178.229 175.800 -0.001 0.000 1.091 95 F CA 0.712 58.699 58.000 -0.022 0.000 1.399 95 F CB -0.219 38.745 39.000 -0.060 0.000 1.067 95 F HN 0.241 nan 8.300 nan 0.000 0.520 96 A N -0.038 122.860 122.820 0.131 0.000 1.917 96 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 96 A C 2.341 179.914 177.584 -0.018 0.000 1.182 96 A CA 2.159 54.244 52.037 0.081 0.000 0.633 96 A CB -1.534 17.540 19.000 0.122 0.000 0.819 96 A HN 0.372 nan 8.150 nan 0.000 0.448 97 V N -0.565 119.343 119.914 -0.010 0.000 2.323 97 V HA -0.167 3.953 4.120 -0.000 0.000 0.244 97 V C 2.450 178.501 176.094 -0.073 0.000 1.041 97 V CA 2.983 65.283 62.300 -0.001 0.000 1.025 97 V CB -0.996 30.851 31.823 0.041 0.000 0.656 97 V HN 0.605 nan 8.190 nan 0.000 0.451 98 T N 0.963 115.422 114.554 -0.157 0.000 2.760 98 T HA -0.251 4.099 4.350 -0.000 0.000 0.269 98 T C 1.773 176.277 174.700 -0.328 0.000 1.047 98 T CA 2.256 64.215 62.100 -0.235 0.000 1.139 98 T CB -0.414 68.254 68.868 -0.334 0.000 0.855 98 T HN 0.528 nan 8.240 nan 0.000 0.471 99 L N 0.371 121.329 121.223 -0.442 0.000 2.095 99 L HA 0.114 4.454 4.340 -0.000 0.000 0.204 99 L C 2.690 179.484 176.870 -0.127 0.000 1.080 99 L CA 1.310 55.950 54.840 -0.334 0.000 0.759 99 L CB -0.812 41.061 42.059 -0.310 0.000 0.914 99 L HN 0.345 nan 8.230 nan 0.000 0.439 100 G N 0.509 109.265 108.800 -0.072 0.000 2.442 100 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.219 100 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.219 100 G C 1.346 176.235 174.900 -0.018 0.000 1.141 100 G CA 1.110 46.206 45.100 -0.007 0.000 0.763 100 G HN 0.367 nan 8.290 nan 0.000 0.554 101 I N 1.114 121.662 120.570 -0.037 0.000 2.361 101 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 101 I C 2.558 178.524 176.117 -0.253 0.000 1.133 101 I CA 0.538 61.748 61.300 -0.150 0.000 1.413 101 I CB -0.310 37.669 38.000 -0.034 0.000 1.073 101 I HN 0.175 nan 8.210 nan 0.000 0.424 102 I N -0.591 119.894 120.570 -0.142 0.000 2.546 102 I HA -0.228 3.942 4.170 -0.000 0.000 0.255 102 I C 2.195 178.284 176.117 -0.046 0.000 1.163 102 I CA 0.870 62.106 61.300 -0.107 0.000 1.457 102 I CB -0.293 37.660 38.000 -0.078 0.000 1.092 102 I HN 0.187 nan 8.210 nan 0.000 0.434 103 M N 0.396 120.001 119.600 0.008 0.000 2.236 103 M HA -0.014 4.466 4.480 -0.000 0.000 0.266 103 M C 2.631 179.032 176.300 0.168 0.000 1.070 103 M CA 1.403 56.803 55.300 0.167 0.000 1.137 103 M CB -1.271 31.410 32.600 0.134 0.000 1.378 103 M HN 0.233 nan 8.290 nan 0.000 0.426 104 A N 0.563 123.365 122.820 -0.029 0.000 1.972 104 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 104 A C 2.330 179.823 177.584 -0.153 0.000 1.169 104 A CA 1.239 53.213 52.037 -0.104 0.000 0.635 104 A CB -0.356 18.407 19.000 -0.395 0.000 0.810 104 A HN 0.301 nan 8.150 nan 0.000 0.446 105 R N -0.152 120.218 120.500 -0.217 0.000 2.070 105 R HA -0.131 4.209 4.340 -0.000 0.000 0.227 105 R C 2.212 178.458 176.300 -0.090 0.000 1.147 105 R CA 1.691 57.689 56.100 -0.168 0.000 0.924 105 R CB -1.605 28.595 30.300 -0.167 0.000 0.827 105 R HN 0.653 nan 8.270 nan 0.000 0.431 106 L N -0.812 120.354 121.223 -0.095 0.000 2.012 106 L HA -0.014 4.326 4.340 -0.000 0.000 0.210 106 L C 0.818 177.535 176.870 -0.254 0.000 1.073 106 L CA 1.229 55.945 54.840 -0.208 0.000 0.748 106 L CB -1.296 40.576 42.059 -0.311 0.000 0.891 106 L HN -0.114 nan 8.230 nan 0.000 0.431 107 F N 1.166 121.104 119.950 -0.020 0.000 2.411 107 F HA 0.368 4.895 4.527 -0.000 0.000 0.350 107 F C 0.761 176.564 175.800 0.004 0.000 1.114 107 F CA -0.483 57.521 58.000 0.006 0.000 1.135 107 F CB 0.203 39.220 39.000 0.028 0.000 1.120 107 F HN 0.043 nan 8.300 nan 0.000 0.495 108 N N 4.676 123.482 118.700 0.175 0.000 3.170 108 N HA 0.207 4.947 4.740 -0.000 0.000 0.305 108 N C -2.676 172.903 175.510 0.114 0.000 1.499 108 N CA -1.535 51.583 53.050 0.112 0.000 1.110 108 N CB 0.313 38.837 38.487 0.063 0.000 1.390 108 N HN 0.202 nan 8.380 nan 0.000 0.508 109 P HA -0.008 nan 4.420 nan 0.000 0.261 109 P C 1.075 178.333 177.300 -0.070 0.000 1.183 109 P CA 0.986 64.202 63.100 0.192 0.000 0.761 109 P CB 0.840 32.769 31.700 0.382 0.000 0.785 110 G N 3.287 111.934 108.800 -0.255 0.000 3.079 110 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.214 110 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.214 110 G C 0.437 175.210 174.900 -0.211 0.000 1.335 110 G CA -0.076 44.698 45.100 -0.544 0.000 0.822 110 G HN 0.805 nan 8.290 nan 0.000 0.545 111 A N 1.204 123.961 122.820 -0.105 0.000 2.547 111 A HA 0.493 4.813 4.320 -0.000 0.000 0.269 111 A C 2.221 179.829 177.584 0.041 0.000 1.041 111 A CA 2.524 54.554 52.037 -0.011 0.000 0.855 111 A CB -0.925 18.084 19.000 0.014 0.000 0.934 111 A HN 2.762 nan 8.150 nan 0.000 0.521 112 G N 1.737 110.630 108.800 0.156 0.000 2.278 112 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.210 112 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.210 112 G C 0.905 175.709 174.900 -0.159 0.000 1.000 112 G CA 0.323 45.510 45.100 0.145 0.000 0.635 112 G HN 1.229 nan 8.290 nan 0.000 0.495 113 I N 3.337 123.816 120.570 -0.152 0.000 3.251 113 I HA 0.124 4.293 4.170 -0.000 0.000 0.277 113 I C 1.489 177.432 176.117 -0.290 0.000 1.268 113 I CA 0.309 61.472 61.300 -0.229 0.000 1.449 113 I CB -0.402 37.480 38.000 -0.197 0.000 1.083 113 I HN 0.488 nan 8.210 nan 0.000 0.464 114 H N 2.989 122.004 119.070 -0.092 0.000 3.157 114 H HA -0.129 4.427 4.556 -0.000 0.000 0.279 114 H C -0.675 174.629 175.328 -0.040 0.000 0.880 114 H CA 0.759 56.765 56.048 -0.071 0.000 1.394 114 H CB -0.439 29.290 29.762 -0.055 0.000 1.247 114 H HN 0.415 nan 8.280 nan 0.000 0.553 115 L N -0.284 120.969 121.223 0.050 0.000 2.350 115 L HA 0.804 5.144 4.340 -0.000 0.000 0.260 115 L C -0.032 176.879 176.870 0.068 0.000 1.015 115 L CA -0.918 53.944 54.840 0.037 0.000 0.821 115 L CB 2.301 44.370 42.059 0.017 0.000 1.370 115 L HN 0.569 nan 8.230 nan 0.000 0.416 116 A N 1.547 124.406 122.820 0.064 0.000 2.609 116 A HA 0.567 4.887 4.320 -0.000 0.000 0.286 116 A C 1.054 178.675 177.584 0.062 0.000 1.138 116 A CA 0.293 52.371 52.037 0.069 0.000 0.960 116 A CB -0.407 18.630 19.000 0.062 0.000 1.208 116 A HN 1.605 nan 8.150 nan 0.000 0.541 117 V N -1.900 118.052 119.914 0.064 0.000 0.689 117 V HA -0.446 3.674 4.120 -0.000 0.000 0.092 117 V C 1.956 178.080 176.094 0.049 0.000 0.809 117 V CA 2.270 64.612 62.300 0.070 0.000 3.104 117 V CB -1.921 29.953 31.823 0.084 0.000 0.207 117 V HN 1.294 nan 8.190 nan 0.000 0.125 118 G N 0.561 109.392 108.800 0.051 0.000 2.564 118 G HA2 0.399 4.359 3.960 -0.000 0.000 0.216 118 G HA3 0.399 4.359 3.960 -0.000 0.000 0.216 118 G C 1.738 176.655 174.900 0.029 0.000 1.124 118 G CA 1.736 46.858 45.100 0.036 0.000 0.764 118 G HN 2.651 nan 8.290 nan 0.000 0.550 119 G N -1.853 106.966 108.800 0.032 0.000 2.211 119 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.201 119 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.201 119 G C 0.164 175.081 174.900 0.028 0.000 0.997 119 G CA 0.052 45.168 45.100 0.026 0.000 0.652 119 G HN 0.606 nan 8.290 nan 0.000 0.500 120 Q N 0.205 120.025 119.800 0.034 0.000 2.257 120 Q HA 0.638 4.978 4.340 -0.000 0.000 0.262 120 Q C -0.082 175.947 176.000 0.048 0.000 0.997 120 Q CA -0.579 55.242 55.803 0.031 0.000 0.873 120 Q CB 1.891 30.642 28.738 0.022 0.000 1.312 120 Q HN 0.413 nan 8.270 nan 0.000 0.450 121 Q N 1.101 120.926 119.800 0.042 0.000 2.180 121 Q HA 0.378 4.717 4.340 -0.000 0.000 0.241 121 Q C -1.395 174.658 176.000 0.089 0.000 0.970 121 Q CA -0.623 55.224 55.803 0.072 0.000 0.919 121 Q CB 0.918 29.688 28.738 0.053 0.000 1.222 121 Q HN 0.589 nan 8.270 nan 0.000 0.482 122 F N 1.274 121.210 119.950 -0.023 0.000 2.384 122 F HA 0.313 4.840 4.527 -0.000 0.000 0.338 122 F C -0.863 174.904 175.800 -0.054 0.000 1.103 122 F CA 0.044 58.021 58.000 -0.038 0.000 1.157 122 F CB 0.967 39.947 39.000 -0.032 0.000 1.167 122 F HN 0.454 nan 8.300 nan 0.000 0.529 123 Q N 7.124 126.298 119.800 -1.043 0.000 2.280 123 Q HA 0.291 4.631 4.340 -0.000 0.000 0.259 123 Q C -2.515 172.879 176.000 -1.010 0.000 0.964 123 Q CA -1.978 53.382 55.803 -0.739 0.000 0.844 123 Q CB 2.074 30.594 28.738 -0.364 0.000 1.334 123 Q HN 0.451 nan 8.270 nan 0.000 0.423 124 P HA 0.113 nan 4.420 nan 0.000 0.274 124 P C -0.938 176.165 177.300 -0.329 0.000 1.237 124 P CA -0.196 62.665 63.100 -0.399 0.000 0.793 124 P CB 0.762 32.445 31.700 -0.029 0.000 0.977 125 H N -0.546 118.467 119.070 -0.095 0.000 2.610 125 H HA 0.135 4.691 4.556 -0.000 0.000 0.336 125 H C 0.611 175.919 175.328 -0.033 0.000 1.087 125 H CA -0.238 55.772 56.048 -0.063 0.000 1.405 125 H CB 0.360 30.096 29.762 -0.044 0.000 1.460 125 H HN 0.372 nan 8.280 nan 0.000 0.538 126 Q N 1.781 121.624 119.800 0.072 0.000 2.315 126 Q HA 0.267 4.607 4.340 -0.000 0.000 0.289 126 Q C -0.440 175.592 176.000 0.054 0.000 1.044 126 Q CA -0.472 55.357 55.803 0.043 0.000 0.920 126 Q CB 0.641 29.394 28.738 0.025 0.000 1.214 126 Q HN 0.679 nan 8.270 nan 0.000 0.392 127 A N 4.315 127.163 122.820 0.046 0.000 2.440 127 A HA 0.417 4.737 4.320 -0.000 0.000 0.251 127 A C -1.930 175.675 177.584 0.035 0.000 1.089 127 A CA -1.253 50.810 52.037 0.044 0.000 0.779 127 A CB -0.320 18.707 19.000 0.046 0.000 1.022 127 A HN 0.721 nan 8.150 nan 0.000 0.492 128 P HA 0.250 nan 4.420 nan 0.000 0.271 128 P C -2.492 174.847 177.300 0.065 0.000 1.238 128 P CA -0.863 62.252 63.100 0.025 0.000 0.794 128 P CB -0.579 31.129 31.700 0.014 0.000 0.959 129 P HA -0.062 nan 4.420 nan 0.000 0.264 129 P C 0.964 178.327 177.300 0.106 0.000 1.183 129 P CA -0.055 63.115 63.100 0.117 0.000 0.763 129 P CB 0.189 32.007 31.700 0.195 0.000 0.807 130 L N 5.577 126.836 121.223 0.060 0.000 2.054 130 L HA -0.277 4.063 4.340 -0.000 0.000 0.220 130 L C 1.975 178.858 176.870 0.022 0.000 1.081 130 L CA 2.047 56.910 54.840 0.039 0.000 0.780 130 L CB -1.145 40.928 42.059 0.024 0.000 0.893 130 L HN 0.213 nan 8.230 nan 0.000 0.438 131 V N -0.234 119.677 119.914 -0.004 0.000 2.231 131 V HA -0.415 3.705 4.120 -0.000 0.000 0.250 131 V C 2.538 178.557 176.094 -0.126 0.000 1.058 131 V CA 2.363 64.607 62.300 -0.094 0.000 1.022 131 V CB -1.106 30.608 31.823 -0.181 0.000 0.640 131 V HN 0.609 nan 8.190 nan 0.000 0.445 132 H N -1.240 117.824 119.070 -0.010 0.000 2.421 132 H HA -0.121 4.435 4.556 -0.000 0.000 0.298 132 H C 2.274 177.592 175.328 -0.017 0.000 1.087 132 H CA 1.920 57.959 56.048 -0.015 0.000 1.330 132 H CB -0.125 29.629 29.762 -0.013 0.000 1.388 132 H HN 0.422 nan 8.280 nan 0.000 0.526 133 I N 1.317 121.946 120.570 0.097 0.000 2.286 133 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 133 I C 2.178 178.306 176.117 0.018 0.000 1.115 133 I CA 1.103 62.435 61.300 0.053 0.000 1.392 133 I CB -0.416 37.612 38.000 0.047 0.000 1.065 133 I HN 0.078 nan 8.210 nan 0.000 0.418 134 L N -0.776 120.447 121.223 -0.001 0.000 2.049 134 L HA -0.135 4.205 4.340 -0.000 0.000 0.203 134 L C 2.471 179.304 176.870 -0.061 0.000 1.074 134 L CA 1.095 55.919 54.840 -0.026 0.000 0.749 134 L CB -0.729 41.315 42.059 -0.025 0.000 0.907 134 L HN 0.196 nan 8.230 nan 0.000 0.439 135 L N -0.168 121.015 121.223 -0.068 0.000 2.191 135 L HA -0.211 4.128 4.340 -0.000 0.000 0.212 135 L C 1.956 178.775 176.870 -0.086 0.000 1.103 135 L CA 0.832 55.620 54.840 -0.088 0.000 0.769 135 L CB -0.691 41.313 42.059 -0.091 0.000 0.908 135 L HN 0.296 nan 8.230 nan 0.000 0.438 136 D N 0.454 120.828 120.400 -0.042 0.000 2.264 136 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 136 D C 2.166 178.418 176.300 -0.081 0.000 0.966 136 D CA 1.070 55.049 54.000 -0.036 0.000 0.864 136 D CB -0.150 40.655 40.800 0.008 0.000 0.933 136 D HN 0.532 nan 8.370 nan 0.000 0.499 137 I N -1.734 118.764 120.570 -0.119 0.000 2.454 137 I HA -0.112 4.058 4.170 -0.000 0.000 0.254 137 I C 0.500 176.402 176.117 -0.360 0.000 1.156 137 I CA 0.570 61.775 61.300 -0.158 0.000 1.433 137 I CB -0.371 37.548 38.000 -0.134 0.000 1.082 137 I HN -0.290 nan 8.210 nan 0.000 0.432 138 V N 4.533 124.172 119.914 -0.458 0.000 2.356 138 V HA 0.274 4.394 4.120 -0.000 0.000 0.258 138 V C -2.035 173.942 176.094 -0.195 0.000 1.065 138 V CA -1.346 60.616 62.300 -0.563 0.000 0.935 138 V CB -0.182 31.365 31.823 -0.461 0.000 1.061 138 V HN 0.172 nan 8.190 nan 0.000 0.484 139 P HA 0.041 nan 4.420 nan 0.000 0.267 139 P C 0.884 178.181 177.300 -0.005 0.000 1.200 139 P CA 0.248 63.340 63.100 -0.013 0.000 0.772 139 P CB 0.669 32.382 31.700 0.022 0.000 0.855 140 T N 0.429 114.975 114.554 -0.012 0.000 3.057 140 T HA 0.032 4.381 4.350 -0.000 0.000 0.254 140 T C 0.453 175.157 174.700 0.007 0.000 1.094 140 T CA 0.550 62.651 62.100 0.002 0.000 1.088 140 T CB -0.523 68.345 68.868 -0.000 0.000 0.934 140 T HN 0.374 nan 8.240 nan 0.000 0.497 141 N N 0.415 119.105 118.700 -0.018 0.000 2.839 141 N HA 0.306 5.046 4.740 -0.000 0.000 0.230 141 N C -2.533 172.919 175.510 -0.096 0.000 1.388 141 N CA -1.502 51.543 53.050 -0.009 0.000 0.747 141 N CB 1.371 39.876 38.487 0.030 0.000 1.411 141 N HN -0.110 nan 8.380 nan 0.000 0.556 142 P HA -0.223 nan 4.420 nan 0.000 0.224 142 P C 1.121 178.131 177.300 -0.483 0.000 1.153 142 P CA 1.787 64.503 63.100 -0.641 0.000 0.947 142 P CB -0.019 30.842 31.700 -1.398 0.000 0.790 143 F N -0.803 118.975 119.950 -0.286 0.000 2.063 143 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 143 F C 2.670 178.371 175.800 -0.166 0.000 1.109 143 F CA 1.974 59.848 58.000 -0.211 0.000 1.212 143 F CB -1.735 37.174 39.000 -0.152 0.000 0.973 143 F HN -0.022 nan 8.300 nan 0.000 0.480 144 G N -0.482 108.353 108.800 0.058 0.000 2.484 144 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 144 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 144 G C 1.911 176.784 174.900 -0.045 0.000 1.219 144 G CA 1.141 46.241 45.100 0.000 0.000 0.791 144 G HN 0.486 nan 8.290 nan 0.000 0.550 145 A N 0.352 123.134 122.820 -0.062 0.000 1.915 145 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 145 A C 2.421 179.959 177.584 -0.077 0.000 1.198 145 A CA 2.225 54.224 52.037 -0.063 0.000 0.647 145 A CB -0.627 18.336 19.000 -0.062 0.000 0.825 145 A HN 0.547 nan 8.150 nan 0.000 0.456 146 L N -0.674 120.477 121.223 -0.120 0.000 2.005 146 L HA 0.049 4.388 4.340 -0.000 0.000 0.207 146 L C 2.750 179.550 176.870 -0.117 0.000 1.072 146 L CA 2.222 56.977 54.840 -0.141 0.000 0.744 146 L CB -1.109 40.793 42.059 -0.262 0.000 0.895 146 L HN 0.390 nan 8.230 nan 0.000 0.433 147 A N 0.582 123.347 122.820 -0.093 0.000 1.896 147 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 147 A C 0.961 178.505 177.584 -0.066 0.000 1.206 147 A CA 2.117 54.114 52.037 -0.066 0.000 0.647 147 A CB -1.307 17.673 19.000 -0.034 0.000 0.828 147 A HN 0.752 nan 8.150 nan 0.000 0.455 148 N N -0.642 118.021 118.700 -0.061 0.000 2.816 148 N HA 0.441 5.181 4.740 -0.000 0.000 0.236 148 N C 0.612 176.080 175.510 -0.069 0.000 1.076 148 N CA 0.332 53.346 53.050 -0.060 0.000 0.902 148 N CB -0.140 38.319 38.487 -0.046 0.000 1.149 148 N HN 0.828 nan 8.380 nan 0.000 0.506 149 G N 1.924 110.667 108.800 -0.095 0.000 2.602 149 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.317 149 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.317 149 G C -0.275 174.566 174.900 -0.098 0.000 1.327 149 G CA 0.791 45.810 45.100 -0.135 0.000 0.971 149 G HN 1.178 nan 8.290 nan 0.000 0.540 150 Q N -2.022 117.730 119.800 -0.082 0.000 2.418 150 Q HA -0.125 4.215 4.340 -0.000 0.000 0.340 150 Q C 1.020 177.008 176.000 -0.020 0.000 1.428 150 Q CA 0.583 56.366 55.803 -0.033 0.000 0.874 150 Q CB -1.247 27.474 28.738 -0.028 0.000 1.094 150 Q HN 1.169 nan 8.270 nan 0.000 0.334 151 V N 2.850 122.756 119.914 -0.013 0.000 2.244 151 V HA -0.308 3.812 4.120 -0.000 0.000 0.235 151 V C 2.092 178.228 176.094 0.070 0.000 1.026 151 V CA 1.945 64.259 62.300 0.024 0.000 0.990 151 V CB -0.707 31.141 31.823 0.042 0.000 0.640 151 V HN 0.687 nan 8.190 nan 0.000 0.463 152 L N 0.065 121.337 121.223 0.082 0.000 2.169 152 L HA -0.278 4.061 4.340 -0.000 0.000 0.244 152 L C 0.091 177.042 176.870 0.135 0.000 1.122 152 L CA 3.164 58.066 54.840 0.104 0.000 0.848 152 L CB -2.928 39.178 42.059 0.078 0.000 0.953 152 L HN 0.303 nan 8.230 nan 0.000 0.447 153 P HA -0.220 nan 4.420 nan 0.000 0.219 153 P C 1.727 179.155 177.300 0.213 0.000 1.158 153 P CA 2.416 65.579 63.100 0.106 0.000 0.895 153 P CB -0.299 31.424 31.700 0.039 0.000 0.792 154 T N -0.635 114.017 114.554 0.162 0.000 2.595 154 T HA -0.175 4.174 4.350 -0.000 0.000 0.264 154 T C 1.677 176.543 174.700 0.277 0.000 1.058 154 T CA 1.666 63.898 62.100 0.219 0.000 1.166 154 T CB -1.067 67.894 68.868 0.154 0.000 0.863 154 T HN -0.079 nan 8.240 nan 0.000 0.415 155 I N 1.128 121.818 120.570 0.200 0.000 2.094 155 I HA -0.230 3.940 4.170 -0.000 0.000 0.236 155 I C 1.970 178.192 176.117 0.174 0.000 1.016 155 I CA 1.458 62.851 61.300 0.155 0.000 1.294 155 I CB -1.156 36.924 38.000 0.132 0.000 1.006 155 I HN 0.192 nan 8.210 nan 0.000 0.397 156 F N 0.495 120.497 119.950 0.087 0.000 2.063 156 F HA -0.393 4.134 4.527 -0.000 0.000 0.297 156 F C 2.474 178.333 175.800 0.099 0.000 1.099 156 F CA 2.171 60.220 58.000 0.081 0.000 1.220 156 F CB -0.676 38.378 39.000 0.089 0.000 0.972 156 F HN 0.096 nan 8.300 nan 0.000 0.487 157 F N 0.591 120.670 119.950 0.215 0.000 2.171 157 F HA -0.095 4.432 4.527 0.000 0.000 0.300 157 F C 2.284 178.048 175.800 -0.060 0.000 1.090 157 F CA 1.451 59.503 58.000 0.086 0.000 1.293 157 F CB -0.902 38.206 39.000 0.180 0.000 1.013 157 F HN 0.049 nan 8.300 nan 0.000 0.486 158 A N 0.565 123.406 122.820 0.034 0.000 1.883 158 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 158 A C 2.034 179.426 177.584 -0.320 0.000 1.186 158 A CA 2.121 54.011 52.037 -0.245 0.000 0.624 158 A CB -1.129 17.722 19.000 -0.248 0.000 0.822 158 A HN 0.376 nan 8.150 nan 0.000 0.444 159 I N -0.208 120.208 120.570 -0.258 0.000 2.163 159 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 159 I C 2.081 178.006 176.117 -0.320 0.000 1.085 159 I CA 1.147 62.294 61.300 -0.255 0.000 1.347 159 I CB -0.614 37.254 38.000 -0.220 0.000 1.044 159 I HN 0.224 nan 8.210 nan 0.000 0.408 160 I N -0.567 119.726 120.570 -0.461 0.000 2.361 160 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 160 I C 2.238 178.105 176.117 -0.415 0.000 1.133 160 I CA 1.102 62.129 61.300 -0.456 0.000 1.413 160 I CB -0.735 36.923 38.000 -0.570 0.000 1.073 160 I HN 0.176 nan 8.210 nan 0.000 0.424 161 L N 0.607 121.509 121.223 -0.535 0.000 2.023 161 L HA 0.067 4.406 4.340 -0.000 0.000 0.205 161 L C 2.434 179.145 176.870 -0.264 0.000 1.073 161 L CA 2.140 56.704 54.840 -0.459 0.000 0.745 161 L CB -1.508 40.234 42.059 -0.530 0.000 0.900 161 L HN 0.231 nan 8.230 nan 0.000 0.435 162 G N 0.203 108.848 108.800 -0.259 0.000 2.545 162 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 162 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 162 G C 1.640 176.469 174.900 -0.118 0.000 1.218 162 G CA 1.410 46.403 45.100 -0.178 0.000 0.787 162 G HN 0.485 nan 8.290 nan 0.000 0.571 163 I N 1.557 122.063 120.570 -0.107 0.000 2.423 163 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 163 I C 3.194 179.363 176.117 0.086 0.000 1.151 163 I CA 0.891 62.182 61.300 -0.015 0.000 1.421 163 I CB -0.205 37.794 38.000 -0.003 0.000 1.079 163 I HN 0.278 nan 8.210 nan 0.000 0.431 164 A N 1.158 123.977 122.820 -0.001 0.000 1.897 164 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 164 A C 2.278 179.897 177.584 0.059 0.000 1.181 164 A CA 1.044 53.105 52.037 0.040 0.000 0.620 164 A CB -0.614 18.347 19.000 -0.065 0.000 0.821 164 A HN 0.338 nan 8.150 nan 0.000 0.443 165 I N 0.792 121.354 120.570 -0.014 0.000 2.194 165 I HA -0.302 3.868 4.170 -0.000 0.000 0.246 165 I C 2.902 179.008 176.117 -0.018 0.000 1.093 165 I CA 1.931 63.220 61.300 -0.018 0.000 1.355 165 I CB -0.939 37.033 38.000 -0.047 0.000 1.046 165 I HN 0.571 nan 8.210 nan 0.000 0.413 166 T N -0.618 113.905 114.554 -0.053 0.000 2.635 166 T HA -0.293 4.057 4.350 -0.000 0.000 0.267 166 T C 1.790 176.389 174.700 -0.169 0.000 1.040 166 T CA 1.642 63.653 62.100 -0.149 0.000 1.156 166 T CB -1.173 67.538 68.868 -0.261 0.000 0.863 166 T HN 0.335 nan 8.240 nan 0.000 0.430 167 Y N 1.791 122.069 120.300 -0.036 0.000 2.569 167 Y HA 0.172 4.722 4.550 -0.001 0.000 0.293 167 Y C 2.285 178.172 175.900 -0.021 0.000 1.144 167 Y CA 0.414 58.498 58.100 -0.027 0.000 1.321 167 Y CB -0.633 37.810 38.460 -0.029 0.000 0.982 167 Y HN 0.228 nan 8.280 nan 0.000 0.558 168 L N -1.242 120.032 121.223 0.085 0.000 2.270 168 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 168 L C 1.921 178.803 176.870 0.020 0.000 1.104 168 L CA 0.648 55.518 54.840 0.050 0.000 0.804 168 L CB -0.343 41.736 42.059 0.034 0.000 0.937 168 L HN 0.290 nan 8.230 nan 0.000 0.450 169 M N -0.252 119.343 119.600 -0.007 0.000 2.557 169 M HA -0.063 4.417 4.480 -0.000 0.000 0.259 169 M C 0.877 177.164 176.300 -0.022 0.000 1.086 169 M CA 0.998 56.284 55.300 -0.023 0.000 1.096 169 M CB -0.208 32.364 32.600 -0.046 0.000 1.424 169 M HN 0.220 nan 8.290 nan 0.000 0.488 170 N N -0.198 118.494 118.700 -0.013 0.000 2.236 170 N HA 0.047 4.787 4.740 -0.000 0.000 0.196 170 N C 0.235 175.757 175.510 0.020 0.000 1.114 170 N CA 0.102 53.150 53.050 -0.004 0.000 0.859 170 N CB 0.309 38.794 38.487 -0.005 0.000 0.982 170 N HN 0.041 nan 8.380 nan 0.000 0.493 171 S N 1.253 116.968 115.700 0.025 0.000 2.525 171 S HA -0.005 4.464 4.470 -0.000 0.000 0.285 171 S C 1.313 175.923 174.600 0.017 0.000 1.283 171 S CA -0.339 57.877 58.200 0.027 0.000 1.072 171 S CB 0.605 63.821 63.200 0.027 0.000 0.867 171 S HN 0.079 nan 8.310 nan 0.000 0.492 172 E N 3.401 123.611 120.200 0.017 0.000 2.065 172 E HA -0.192 4.158 4.350 -0.000 0.000 0.201 172 E C 0.812 177.418 176.600 0.009 0.000 1.016 172 E CA 0.919 57.326 56.400 0.011 0.000 0.818 172 E CB -0.645 29.062 29.700 0.011 0.000 0.749 172 E HN 0.754 nan 8.360 nan 0.000 0.453 173 N N 1.486 120.193 118.700 0.011 0.000 2.412 173 N HA -0.121 4.619 4.740 -0.000 0.000 0.254 173 N C 0.756 176.272 175.510 0.009 0.000 1.232 173 N CA 0.350 53.406 53.050 0.010 0.000 0.880 173 N CB 1.122 39.616 38.487 0.012 0.000 1.076 173 N HN -0.076 nan 8.380 nan 0.000 0.458 174 E N 3.358 123.562 120.200 0.007 0.000 2.122 174 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 174 E C 1.480 178.084 176.600 0.007 0.000 0.977 174 E CA 1.204 57.608 56.400 0.005 0.000 0.820 174 E CB -0.050 29.652 29.700 0.004 0.000 0.770 174 E HN 0.700 nan 8.360 nan 0.000 0.462 175 K N -0.065 120.340 120.400 0.008 0.000 2.032 175 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 175 K C 1.895 178.502 176.600 0.012 0.000 1.048 175 K CA 1.638 57.931 56.287 0.010 0.000 0.927 175 K CB -0.130 32.377 32.500 0.011 0.000 0.712 175 K HN 0.065 nan 8.250 nan 0.000 0.441 176 V N 1.079 121.001 119.914 0.013 0.000 2.237 176 V HA -0.294 3.826 4.120 -0.000 0.000 0.245 176 V C 2.982 179.084 176.094 0.013 0.000 1.046 176 V CA 2.588 64.897 62.300 0.016 0.000 1.007 176 V CB -1.201 30.633 31.823 0.018 0.000 0.638 176 V HN 0.564 nan 8.190 nan 0.000 0.445 177 R N 0.395 120.901 120.500 0.010 0.000 2.117 177 R HA -0.236 4.104 4.340 -0.000 0.000 0.243 177 R C 2.237 178.539 176.300 0.003 0.000 1.143 177 R CA 2.141 58.244 56.100 0.005 0.000 0.968 177 R CB -0.981 29.321 30.300 0.002 0.000 0.863 177 R HN 0.518 nan 8.270 nan 0.000 0.444 178 K N 0.374 120.777 120.400 0.005 0.000 2.076 178 K HA 0.034 4.353 4.320 -0.000 0.000 0.204 178 K C 2.236 178.841 176.600 0.007 0.000 1.051 178 K CA 1.652 57.941 56.287 0.004 0.000 0.949 178 K CB -0.383 32.120 32.500 0.005 0.000 0.726 178 K HN 0.446 nan 8.250 nan 0.000 0.443 179 S N 1.283 116.990 115.700 0.011 0.000 2.353 179 S HA -0.170 4.300 4.470 -0.000 0.000 0.222 179 S C 2.139 176.748 174.600 0.015 0.000 1.035 179 S CA 1.553 59.763 58.200 0.016 0.000 1.025 179 S CB -0.531 62.681 63.200 0.020 0.000 0.902 179 S HN 0.523 nan 8.310 nan 0.000 0.440 180 A N 1.476 124.303 122.820 0.012 0.000 1.927 180 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 180 A C 2.188 179.772 177.584 0.000 0.000 1.185 180 A CA 2.539 54.580 52.037 0.007 0.000 0.639 180 A CB -1.520 17.482 19.000 0.003 0.000 0.820 180 A HN 0.645 nan 8.150 nan 0.000 0.451 181 E N -0.530 119.669 120.200 -0.002 0.000 2.070 181 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 181 E C 2.182 178.782 176.600 0.000 0.000 1.004 181 E CA 2.786 59.183 56.400 -0.005 0.000 0.805 181 E CB -1.897 27.800 29.700 -0.005 0.000 0.744 181 E HN 0.981 nan 8.360 nan 0.000 0.451 182 T N -0.602 113.956 114.554 0.007 0.000 2.639 182 T HA -0.105 4.245 4.350 -0.000 0.000 0.261 182 T C 2.187 176.898 174.700 0.019 0.000 1.053 182 T CA 1.605 63.712 62.100 0.013 0.000 1.158 182 T CB -0.676 68.201 68.868 0.016 0.000 0.863 182 T HN 0.411 nan 8.240 nan 0.000 0.413 183 L N 0.478 121.716 121.223 0.024 0.000 2.010 183 L HA -0.128 4.212 4.340 -0.000 0.000 0.219 183 L C 2.645 179.532 176.870 0.028 0.000 1.077 183 L CA 2.069 56.931 54.840 0.036 0.000 0.773 183 L CB -0.627 41.456 42.059 0.041 0.000 0.892 183 L HN 0.329 nan 8.230 nan 0.000 0.436 184 L N 0.359 121.587 121.223 0.009 0.000 2.127 184 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 184 L C 2.091 178.960 176.870 -0.002 0.000 1.089 184 L CA 2.249 57.085 54.840 -0.007 0.000 0.757 184 L CB -0.910 41.135 42.059 -0.024 0.000 0.899 184 L HN 0.462 nan 8.230 nan 0.000 0.434 185 D N -0.627 119.776 120.400 0.005 0.000 2.097 185 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 185 D C 2.089 178.401 176.300 0.020 0.000 0.984 185 D CA 1.381 55.385 54.000 0.007 0.000 0.826 185 D CB 0.067 40.871 40.800 0.007 0.000 0.973 185 D HN 0.403 nan 8.370 nan 0.000 0.460 186 A N 0.827 123.665 122.820 0.030 0.000 1.858 186 A HA -0.128 4.191 4.320 -0.000 0.000 0.216 186 A C 2.597 180.215 177.584 0.057 0.000 1.190 186 A CA 1.581 53.644 52.037 0.043 0.000 0.617 186 A CB -0.966 18.064 19.000 0.050 0.000 0.827 186 A HN 0.361 nan 8.150 nan 0.000 0.443 187 I N 0.087 120.697 120.570 0.067 0.000 2.068 187 I HA -0.264 3.906 4.170 -0.000 0.000 0.238 187 I C 1.247 177.403 176.117 0.065 0.000 1.046 187 I CA 1.296 62.649 61.300 0.088 0.000 1.306 187 I CB -0.825 37.207 38.000 0.054 0.000 1.023 187 I HN 0.393 nan 8.210 nan 0.000 0.399 188 N N 0.809 119.530 118.700 0.035 0.000 2.458 188 N HA 0.113 4.853 4.740 -0.000 0.000 0.258 188 N C 0.543 176.083 175.510 0.050 0.000 1.219 188 N CA 1.430 54.502 53.050 0.037 0.000 0.902 188 N CB 1.171 39.664 38.487 0.009 0.000 1.076 188 N HN 0.558 nan 8.380 nan 0.000 0.455 189 G N 2.423 111.265 108.800 0.071 0.000 2.493 189 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.206 189 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.206 189 G C 0.786 175.731 174.900 0.076 0.000 1.109 189 G CA 0.280 45.419 45.100 0.065 0.000 0.689 189 G HN 0.576 nan 8.290 nan 0.000 0.516 190 L N 2.093 123.360 121.223 0.073 0.000 2.017 190 L HA 0.530 4.870 4.340 -0.000 0.000 0.208 190 L C 3.044 179.948 176.870 0.057 0.000 1.073 190 L CA 3.375 58.253 54.840 0.064 0.000 0.745 190 L CB -0.863 41.248 42.059 0.088 0.000 0.894 190 L HN 0.838 nan 8.230 nan 0.000 0.432 191 A N -0.981 121.897 122.820 0.097 0.000 1.897 191 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 191 A C 2.238 180.023 177.584 0.335 0.000 1.181 191 A CA 1.334 53.444 52.037 0.120 0.000 0.620 191 A CB -0.661 18.460 19.000 0.202 0.000 0.821 191 A HN 0.492 nan 8.150 nan 0.000 0.443 192 E N 0.482 120.890 120.200 0.347 0.000 2.153 192 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 192 E C 1.850 178.650 176.600 0.334 0.000 0.988 192 E CA 1.466 58.093 56.400 0.379 0.000 0.811 192 E CB -0.380 29.398 29.700 0.128 0.000 0.746 192 E HN 0.473 nan 8.360 nan 0.000 0.466 193 A N 0.087 123.005 122.820 0.163 0.000 1.970 193 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 193 A C 1.998 179.603 177.584 0.034 0.000 1.170 193 A CA 1.297 53.385 52.037 0.086 0.000 0.645 193 A CB -0.320 18.707 19.000 0.045 0.000 0.816 193 A HN 0.243 nan 8.150 nan 0.000 0.447 194 M N -1.111 118.452 119.600 -0.063 0.000 2.358 194 M HA -0.104 4.375 4.480 -0.000 0.000 0.264 194 M C 1.706 177.850 176.300 -0.259 0.000 1.064 194 M CA 1.112 56.285 55.300 -0.211 0.000 1.093 194 M CB -1.395 30.991 32.600 -0.357 0.000 1.401 194 M HN 0.604 nan 8.290 nan 0.000 0.440 195 Y N 0.622 120.922 120.300 0.000 0.000 2.243 195 Y HA -0.079 4.471 4.550 -0.000 0.000 0.293 195 Y C 2.396 178.296 175.900 -0.001 0.000 1.124 195 Y CA 0.792 58.891 58.100 -0.002 0.000 1.159 195 Y CB -0.504 37.954 38.460 -0.004 0.000 1.008 195 Y HN 0.095 nan 8.280 nan 0.000 0.527 196 K N 0.685 121.173 120.400 0.146 0.000 2.113 196 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 196 K C 1.935 178.563 176.600 0.048 0.000 1.047 196 K CA 1.515 57.852 56.287 0.083 0.000 0.928 196 K CB -0.843 31.693 32.500 0.060 0.000 0.716 196 K HN 0.437 nan 8.250 nan 0.000 0.446 197 I N 0.619 121.200 120.570 0.017 0.000 2.226 197 I HA -0.238 3.931 4.170 -0.000 0.000 0.245 197 I C 2.305 178.417 176.117 -0.009 0.000 1.100 197 I CA 0.796 62.090 61.300 -0.010 0.000 1.374 197 I CB -0.409 37.564 38.000 -0.044 0.000 1.057 197 I HN -0.158 nan 8.210 nan 0.000 0.413 198 V N 1.441 121.352 119.914 -0.006 0.000 2.261 198 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 198 V C 2.191 178.311 176.094 0.042 0.000 1.047 198 V CA 2.142 64.445 62.300 0.005 0.000 1.015 198 V CB -0.948 30.895 31.823 0.033 0.000 0.642 198 V HN 0.440 nan 8.190 nan 0.000 0.446 199 N N 1.099 119.839 118.700 0.066 0.000 2.094 199 N HA -0.150 4.589 4.740 -0.000 0.000 0.191 199 N C 1.851 177.402 175.510 0.069 0.000 1.023 199 N CA 1.774 54.866 53.050 0.069 0.000 0.857 199 N CB -0.977 37.550 38.487 0.067 0.000 1.013 199 N HN 0.526 nan 8.380 nan 0.000 0.426 200 G N 0.821 109.655 108.800 0.057 0.000 2.433 200 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 200 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 200 G C 1.689 176.641 174.900 0.085 0.000 1.186 200 G CA 1.022 46.159 45.100 0.061 0.000 0.779 200 G HN 0.209 nan 8.290 nan 0.000 0.543 201 V N 1.639 121.586 119.914 0.055 0.000 2.324 201 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 201 V C 2.904 179.112 176.094 0.191 0.000 1.060 201 V CA 1.841 64.179 62.300 0.064 0.000 1.042 201 V CB -0.432 31.355 31.823 -0.060 0.000 0.650 201 V HN 0.295 nan 8.190 nan 0.000 0.450 202 M N -0.390 119.304 119.600 0.157 0.000 2.530 202 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 202 M C 2.069 178.495 176.300 0.210 0.000 1.067 202 M CA 1.324 56.752 55.300 0.213 0.000 1.071 202 M CB -1.191 31.491 32.600 0.137 0.000 1.405 202 M HN 0.444 nan 8.290 nan 0.000 0.478 203 Q N -0.622 119.293 119.800 0.192 0.000 2.389 203 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 203 Q C 1.513 177.639 176.000 0.210 0.000 0.944 203 Q CA 1.083 56.984 55.803 0.163 0.000 0.908 203 Q CB -0.227 28.590 28.738 0.132 0.000 1.002 203 Q HN 0.570 nan 8.270 nan 0.000 0.493 204 Y N -0.898 119.504 120.300 0.169 0.000 2.478 204 Y HA 0.359 4.909 4.550 -0.000 0.000 0.261 204 Y C 1.725 177.779 175.900 0.257 0.000 1.127 204 Y CA 0.426 58.649 58.100 0.205 0.000 1.288 204 Y CB -0.084 38.520 38.460 0.241 0.000 1.084 204 Y HN 0.148 nan 8.280 nan 0.000 0.530 205 A N 2.002 125.062 122.820 0.400 0.000 1.903 205 A HA -0.230 4.089 4.320 -0.000 0.000 0.219 205 A C -0.081 177.385 177.584 -0.196 0.000 1.191 205 A CA 2.078 54.248 52.037 0.223 0.000 0.638 205 A CB -2.023 17.145 19.000 0.280 0.000 0.823 205 A HN 0.443 nan 8.150 nan 0.000 0.451 206 P HA -0.197 nan 4.420 nan 0.000 0.215 206 P C 1.583 178.741 177.300 -0.237 0.000 1.157 206 P CA 1.506 64.513 63.100 -0.155 0.000 0.874 206 P CB -0.267 31.365 31.700 -0.115 0.000 0.790 207 I N -0.422 119.909 120.570 -0.398 0.000 2.163 207 I HA -0.140 4.030 4.170 -0.000 0.000 0.240 207 I C 2.807 178.698 176.117 -0.376 0.000 1.081 207 I CA 1.790 62.804 61.300 -0.477 0.000 1.353 207 I CB -1.529 35.991 38.000 -0.800 0.000 1.054 207 I HN 0.000 nan 8.210 nan 0.000 0.407 208 G N 0.955 109.420 108.800 -0.558 0.000 2.491 208 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 208 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 208 G C 1.720 176.358 174.900 -0.436 0.000 1.180 208 G CA 1.190 46.062 45.100 -0.379 0.000 0.774 208 G HN 0.240 nan 8.290 nan 0.000 0.562 209 V N 0.447 120.021 119.914 -0.568 0.000 2.332 209 V HA -0.186 3.933 4.120 -0.000 0.000 0.248 209 V C 2.358 178.370 176.094 -0.136 0.000 1.055 209 V CA 1.966 64.068 62.300 -0.330 0.000 1.038 209 V CB -0.690 30.980 31.823 -0.254 0.000 0.651 209 V HN 0.393 nan 8.190 nan 0.000 0.450 210 F N 1.196 121.017 119.950 -0.214 0.000 2.161 210 F HA -0.179 4.347 4.527 -0.000 0.000 0.300 210 F C 2.190 177.944 175.800 -0.078 0.000 1.089 210 F CA 1.465 59.381 58.000 -0.140 0.000 1.282 210 F CB -0.323 38.579 39.000 -0.163 0.000 1.010 210 F HN 0.084 nan 8.300 nan 0.000 0.485 211 A N 0.695 123.542 122.820 0.045 0.000 1.854 211 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 211 A C 2.215 179.805 177.584 0.010 0.000 1.192 211 A CA 1.439 53.514 52.037 0.063 0.000 0.611 211 A CB -1.112 18.008 19.000 0.199 0.000 0.832 211 A HN 0.421 nan 8.150 nan 0.000 0.442 212 L N -0.126 121.095 121.223 -0.003 0.000 1.941 212 L HA -0.277 4.062 4.340 -0.000 0.000 0.224 212 L C 2.587 179.479 176.870 0.037 0.000 1.081 212 L CA 2.126 56.981 54.840 0.025 0.000 0.784 212 L CB -1.046 41.010 42.059 -0.004 0.000 0.894 212 L HN 0.641 nan 8.230 nan 0.000 0.436 213 I N -1.061 119.482 120.570 -0.045 0.000 2.423 213 I HA -0.181 3.989 4.170 -0.000 0.000 0.254 213 I C 2.519 178.575 176.117 -0.100 0.000 1.151 213 I CA 1.351 62.614 61.300 -0.061 0.000 1.421 213 I CB -1.395 36.548 38.000 -0.095 0.000 1.079 213 I HN 0.158 nan 8.210 nan 0.000 0.431 214 A N 0.268 122.973 122.820 -0.193 0.000 1.883 214 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 214 A C 2.433 179.985 177.584 -0.054 0.000 1.186 214 A CA 1.996 53.884 52.037 -0.248 0.000 0.624 214 A CB -1.437 17.312 19.000 -0.419 0.000 0.822 214 A HN 0.646 nan 8.150 nan 0.000 0.444 215 Y N 0.602 120.855 120.300 -0.078 0.000 2.133 215 Y HA -0.153 4.397 4.550 -0.000 0.000 0.287 215 Y C 2.288 178.189 175.900 0.001 0.000 1.134 215 Y CA 2.014 60.110 58.100 -0.006 0.000 1.133 215 Y CB -0.336 38.142 38.460 0.029 0.000 0.987 215 Y HN 0.045 nan 8.280 nan 0.000 0.502 216 V N 0.683 120.669 119.914 0.119 0.000 2.828 216 V HA -0.334 3.786 4.120 -0.000 0.000 0.260 216 V C 2.023 178.072 176.094 -0.075 0.000 1.101 216 V CA 1.703 64.019 62.300 0.026 0.000 1.123 216 V CB -0.641 31.236 31.823 0.091 0.000 0.704 216 V HN 0.504 nan 8.190 nan 0.000 0.493 217 M N -0.705 118.842 119.600 -0.089 0.000 2.466 217 M HA 0.172 4.652 4.480 -0.000 0.000 0.265 217 M C 2.365 178.594 176.300 -0.118 0.000 1.122 217 M CA 1.491 56.736 55.300 -0.091 0.000 1.157 217 M CB -1.151 31.401 32.600 -0.081 0.000 1.352 217 M HN 0.355 nan 8.290 nan 0.000 0.464 218 A N 0.415 123.142 122.820 -0.154 0.000 1.969 218 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 218 A C 0.983 178.454 177.584 -0.187 0.000 1.169 218 A CA 1.101 53.050 52.037 -0.146 0.000 0.635 218 A CB -0.196 18.721 19.000 -0.140 0.000 0.810 218 A HN 0.501 nan 8.150 nan 0.000 0.445 219 E N -1.858 118.177 120.200 -0.277 0.000 2.281 219 E HA 0.458 4.808 4.350 -0.000 0.000 0.262 219 E C -0.285 176.216 176.600 -0.166 0.000 0.933 219 E CA -0.931 55.324 56.400 -0.243 0.000 0.809 219 E CB 0.834 30.317 29.700 -0.362 0.000 1.242 219 E HN 0.195 nan 8.360 nan 0.000 0.418 220 Q N -0.687 119.041 119.800 -0.121 0.000 2.342 220 Q HA -0.252 4.087 4.340 -0.000 0.000 0.196 220 Q C 0.715 176.665 176.000 -0.084 0.000 0.629 220 Q CA 1.232 56.982 55.803 -0.090 0.000 1.365 220 Q CB -2.167 26.532 28.738 -0.065 0.000 1.406 220 Q HN 1.067 nan 8.270 nan 0.000 0.840 221 G N -0.432 108.309 108.800 -0.098 0.000 2.611 221 G HA2 -0.409 3.550 3.960 -0.000 0.000 0.301 221 G HA3 -0.409 3.550 3.960 -0.000 0.000 0.301 221 G C 0.634 175.492 174.900 -0.070 0.000 1.233 221 G CA 1.371 46.414 45.100 -0.095 0.000 0.993 221 G HN 0.588 nan 8.290 nan 0.000 0.553 222 V N 0.700 120.583 119.914 -0.052 0.000 3.661 222 V HA 0.261 4.381 4.120 -0.000 0.000 0.271 222 V C 2.823 178.907 176.094 -0.017 0.000 1.315 222 V CA 2.252 64.536 62.300 -0.028 0.000 1.072 222 V CB -0.685 31.130 31.823 -0.013 0.000 0.830 222 V HN 1.313 nan 8.190 nan 0.000 0.443 223 H N 0.599 119.654 119.070 -0.025 0.000 2.466 223 H HA -0.181 4.375 4.556 -0.000 0.000 0.297 223 H C 2.426 177.752 175.328 -0.003 0.000 1.113 223 H CA 2.459 58.496 56.048 -0.019 0.000 1.273 223 H CB -0.718 29.018 29.762 -0.042 0.000 1.371 223 H HN 0.514 nan 8.280 nan 0.000 0.528 224 V N -1.403 118.510 119.914 -0.002 0.000 2.407 224 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 224 V C 2.416 178.538 176.094 0.047 0.000 1.055 224 V CA 1.757 64.077 62.300 0.032 0.000 1.049 224 V CB -1.068 30.773 31.823 0.031 0.000 0.662 224 V HN 0.521 nan 8.190 nan 0.000 0.455 225 V N 2.042 121.971 119.914 0.024 0.000 2.392 225 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 225 V C 2.917 179.034 176.094 0.038 0.000 1.059 225 V CA 2.387 64.702 62.300 0.024 0.000 1.051 225 V CB -1.721 30.109 31.823 0.012 0.000 0.658 225 V HN 0.658 nan 8.190 nan 0.000 0.455 226 G N -0.377 108.447 108.800 0.041 0.000 2.433 226 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 226 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 226 G C 1.470 176.418 174.900 0.080 0.000 1.186 226 G CA 0.673 45.804 45.100 0.052 0.000 0.779 226 G HN 0.489 nan 8.290 nan 0.000 0.543 227 E N 0.619 120.878 120.200 0.098 0.000 2.077 227 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 227 E C 2.735 179.471 176.600 0.228 0.000 0.989 227 E CA 0.480 56.982 56.400 0.171 0.000 0.800 227 E CB -0.448 29.352 29.700 0.167 0.000 0.746 227 E HN 0.450 nan 8.360 nan 0.000 0.452 228 L N 0.477 121.792 121.223 0.153 0.000 2.012 228 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 228 L C 2.583 179.467 176.870 0.023 0.000 1.073 228 L CA 1.414 56.287 54.840 0.055 0.000 0.748 228 L CB -0.613 41.456 42.059 0.017 0.000 0.891 228 L HN 0.071 nan 8.230 nan 0.000 0.431 229 A N -0.407 122.437 122.820 0.039 0.000 1.897 229 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 229 A C 2.346 179.947 177.584 0.029 0.000 1.181 229 A CA 1.270 53.323 52.037 0.028 0.000 0.620 229 A CB -0.385 18.633 19.000 0.029 0.000 0.821 229 A HN 0.168 nan 8.150 nan 0.000 0.443 230 K N 0.464 120.902 120.400 0.064 0.000 2.360 230 K HA -0.053 4.266 4.320 -0.000 0.000 0.201 230 K C 1.598 178.210 176.600 0.020 0.000 1.046 230 K CA 1.427 57.764 56.287 0.082 0.000 0.945 230 K CB -0.459 32.128 32.500 0.145 0.000 0.750 230 K HN 0.317 nan 8.250 nan 0.000 0.464 231 V N 0.086 120.019 119.914 0.031 0.000 2.374 231 V HA -0.133 3.987 4.120 -0.000 0.000 0.241 231 V C 2.169 178.205 176.094 -0.097 0.000 1.034 231 V CA 1.875 64.167 62.300 -0.014 0.000 1.037 231 V CB -0.655 31.125 31.823 -0.072 0.000 0.682 231 V HN 0.274 nan 8.190 nan 0.000 0.463 232 T N 0.986 115.514 114.554 -0.044 0.000 2.665 232 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 232 T C 2.072 176.798 174.700 0.043 0.000 1.035 232 T CA 1.927 64.056 62.100 0.050 0.000 1.151 232 T CB -0.532 68.404 68.868 0.113 0.000 0.862 232 T HN 0.556 nan 8.240 nan 0.000 0.438 233 A N 1.740 124.504 122.820 -0.092 0.000 1.859 233 A HA -0.001 4.318 4.320 -0.000 0.000 0.217 233 A C 2.724 180.012 177.584 -0.493 0.000 1.198 233 A CA 2.310 54.212 52.037 -0.224 0.000 0.629 233 A CB -1.409 17.424 19.000 -0.279 0.000 0.830 233 A HN 0.551 nan 8.150 nan 0.000 0.446 234 A N -0.847 121.459 122.820 -0.856 0.000 1.958 234 A HA -0.047 4.273 4.320 -0.000 0.000 0.221 234 A C 2.234 179.655 177.584 -0.272 0.000 1.178 234 A CA 2.127 53.672 52.037 -0.820 0.000 0.642 234 A CB -1.002 17.719 19.000 -0.465 0.000 0.816 234 A HN 0.427 nan 8.150 nan 0.000 0.453 235 V N -1.549 118.261 119.914 -0.173 0.000 2.227 235 V HA -0.259 3.861 4.120 -0.000 0.000 0.238 235 V C 2.240 178.286 176.094 -0.080 0.000 1.039 235 V CA 1.978 64.205 62.300 -0.121 0.000 0.990 235 V CB -1.388 30.334 31.823 -0.168 0.000 0.635 235 V HN 0.624 nan 8.190 nan 0.000 0.453 236 Y N 1.200 121.494 120.300 -0.011 0.000 2.069 236 Y HA -0.272 4.278 4.550 -0.000 0.000 0.278 236 Y C 2.540 178.463 175.900 0.038 0.000 1.175 236 Y CA 2.224 60.343 58.100 0.032 0.000 1.134 236 Y CB -1.316 37.166 38.460 0.038 0.000 0.965 236 Y HN 0.248 nan 8.280 nan 0.000 0.498 237 V N -2.057 117.952 119.914 0.159 0.000 3.140 237 V HA -0.115 4.005 4.120 -0.000 0.000 0.269 237 V C 1.812 177.991 176.094 0.141 0.000 1.149 237 V CA 1.794 64.181 62.300 0.145 0.000 1.162 237 V CB -1.367 30.552 31.823 0.160 0.000 0.756 237 V HN 0.427 nan 8.190 nan 0.000 0.523 238 G N -0.147 108.715 108.800 0.103 0.000 2.641 238 G HA2 0.134 4.094 3.960 -0.000 0.000 0.207 238 G HA3 0.134 4.094 3.960 -0.000 0.000 0.207 238 G C 1.337 176.308 174.900 0.118 0.000 1.137 238 G CA 0.462 45.620 45.100 0.096 0.000 0.824 238 G HN 0.473 nan 8.290 nan 0.000 0.547 239 L N 1.541 122.825 121.223 0.103 0.000 2.056 239 L HA -0.055 4.284 4.340 -0.000 0.000 0.207 239 L C 3.311 180.294 176.870 0.189 0.000 1.078 239 L CA 1.837 56.754 54.840 0.128 0.000 0.749 239 L CB -0.925 41.171 42.059 0.062 0.000 0.901 239 L HN 0.392 nan 8.230 nan 0.000 0.433 240 T N -1.776 112.894 114.554 0.194 0.000 2.867 240 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 240 T C 1.851 176.675 174.700 0.207 0.000 1.057 240 T CA 0.937 63.156 62.100 0.198 0.000 1.136 240 T CB -0.444 68.526 68.868 0.170 0.000 0.874 240 T HN 0.309 nan 8.240 nan 0.000 0.466 241 L N 0.217 121.556 121.223 0.192 0.000 2.093 241 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 241 L C 2.896 179.915 176.870 0.248 0.000 1.085 241 L CA 1.710 56.667 54.840 0.194 0.000 0.755 241 L CB -0.497 41.664 42.059 0.170 0.000 0.904 241 L HN 0.276 nan 8.230 nan 0.000 0.435 242 Q N 0.813 120.775 119.800 0.270 0.000 2.014 242 Q HA -0.266 4.074 4.340 -0.000 0.000 0.207 242 Q C 1.926 178.189 176.000 0.440 0.000 0.993 242 Q CA 2.741 58.743 55.803 0.332 0.000 0.850 242 Q CB -0.537 28.405 28.738 0.340 0.000 0.916 242 Q HN 0.651 nan 8.270 nan 0.000 0.417 243 I N -0.215 120.673 120.570 0.530 0.000 2.099 243 I HA -0.308 3.862 4.170 -0.000 0.000 0.239 243 I C 2.325 178.812 176.117 0.617 0.000 1.066 243 I CA 1.297 63.001 61.300 0.672 0.000 1.324 243 I CB -0.497 37.697 38.000 0.322 0.000 1.037 243 I HN 0.232 nan 8.210 nan 0.000 0.401 244 L N 0.242 121.753 121.223 0.481 0.000 2.012 244 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 244 L C 2.516 179.553 176.870 0.278 0.000 1.073 244 L CA 1.436 56.505 54.840 0.381 0.000 0.748 244 L CB -0.440 41.703 42.059 0.140 0.000 0.891 244 L HN 0.363 nan 8.230 nan 0.000 0.431 245 L N -1.340 120.012 121.223 0.216 0.000 2.446 245 L HA -0.006 4.334 4.340 -0.000 0.000 0.219 245 L C 1.796 178.686 176.870 0.033 0.000 1.116 245 L CA 0.193 55.111 54.840 0.130 0.000 0.844 245 L CB 0.464 42.612 42.059 0.150 0.000 0.970 245 L HN -0.009 nan 8.230 nan 0.000 0.457 246 V N -1.461 118.473 119.914 0.034 0.000 2.721 246 V HA -0.060 4.059 4.120 -0.000 0.000 0.236 246 V C 1.819 177.790 176.094 -0.206 0.000 1.116 246 V CA 0.553 62.729 62.300 -0.206 0.000 1.148 246 V CB -0.520 31.092 31.823 -0.351 0.000 0.886 246 V HN 0.210 nan 8.190 nan 0.000 0.490 247 Y N 0.129 120.431 120.300 0.004 0.000 2.113 247 Y HA -0.103 4.447 4.550 -0.000 0.000 0.269 247 Y C 2.365 178.181 175.900 -0.140 0.000 1.098 247 Y CA 2.143 60.176 58.100 -0.112 0.000 1.083 247 Y CB -1.092 37.240 38.460 -0.213 0.000 0.997 247 Y HN 0.102 nan 8.280 nan 0.000 0.476 248 F N -0.368 119.644 119.950 0.104 0.000 2.141 248 F HA -0.284 4.243 4.527 -0.000 0.000 0.300 248 F C 2.297 178.099 175.800 0.002 0.000 1.079 248 F CA 1.420 59.432 58.000 0.020 0.000 1.264 248 F CB -1.240 37.781 39.000 0.035 0.000 1.011 248 F HN -0.129 nan 8.300 nan 0.000 0.487 249 V N 0.465 120.480 119.914 0.168 0.000 2.427 249 V HA -0.218 3.901 4.120 -0.000 0.000 0.248 249 V C 1.854 177.961 176.094 0.021 0.000 1.051 249 V CA 1.717 64.056 62.300 0.064 0.000 1.048 249 V CB -0.740 31.089 31.823 0.010 0.000 0.666 249 V HN 0.404 nan 8.190 nan 0.000 0.456 250 L N -2.571 118.661 121.223 0.014 0.000 2.628 250 L HA 0.339 4.679 4.340 -0.000 0.000 0.229 250 L C 1.454 178.408 176.870 0.138 0.000 1.137 250 L CA 1.211 56.089 54.840 0.063 0.000 0.909 250 L CB -0.735 41.357 42.059 0.054 0.000 1.137 250 L HN 0.096 nan 8.230 nan 0.000 0.470 251 L N -0.977 120.273 121.223 0.045 0.000 2.500 251 L HA 0.253 4.593 4.340 -0.000 0.000 0.219 251 L C 2.239 179.139 176.870 0.051 0.000 1.057 251 L CA 0.076 54.914 54.840 -0.005 0.000 0.854 251 L CB -0.294 41.636 42.059 -0.215 0.000 1.078 251 L HN 0.171 nan 8.230 nan 0.000 0.480 252 K N 1.135 121.567 120.400 0.055 0.000 2.418 252 K HA -0.028 4.292 4.320 -0.000 0.000 0.195 252 K C 1.764 178.368 176.600 0.007 0.000 1.035 252 K CA 0.722 57.038 56.287 0.049 0.000 1.003 252 K CB 0.171 32.707 32.500 0.060 0.000 0.793 252 K HN 0.159 nan 8.250 nan 0.000 0.494 253 I N 0.457 121.016 120.570 -0.019 0.000 2.761 253 I HA -0.118 4.052 4.170 -0.000 0.000 0.261 253 I C 0.287 176.221 176.117 -0.305 0.000 1.198 253 I CA 0.998 62.199 61.300 -0.163 0.000 1.482 253 I CB 0.010 37.884 38.000 -0.210 0.000 1.100 253 I HN 0.011 nan 8.210 nan 0.000 0.445 254 Y N 0.379 120.669 120.300 -0.018 0.000 2.734 254 Y HA 0.485 5.034 4.550 -0.001 0.000 0.278 254 Y C 1.507 177.402 175.900 -0.008 0.000 1.108 254 Y CA -0.263 57.828 58.100 -0.016 0.000 1.211 254 Y CB 0.089 38.534 38.460 -0.025 0.000 1.182 254 Y HN 0.104 nan 8.280 nan 0.000 0.547 255 G N 1.381 110.232 108.800 0.086 0.000 2.341 255 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.292 255 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.292 255 G C -0.261 174.687 174.900 0.080 0.000 1.021 255 G CA 0.133 45.274 45.100 0.068 0.000 0.905 255 G HN 0.234 nan 8.290 nan 0.000 0.508 256 I N 0.394 121.014 120.570 0.084 0.000 2.362 256 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 256 I C -0.020 176.149 176.117 0.087 0.000 0.994 256 I CA -1.588 59.761 61.300 0.081 0.000 1.158 256 I CB 1.600 39.629 38.000 0.048 0.000 1.315 256 I HN 0.083 nan 8.210 nan 0.000 0.451 257 D N 10.067 130.541 120.400 0.124 0.000 2.348 257 D HA 0.116 4.756 4.640 -0.000 0.000 0.259 257 D C -1.447 174.979 176.300 0.209 0.000 1.296 257 D CA -1.781 52.310 54.000 0.151 0.000 0.931 257 D CB 1.297 42.185 40.800 0.146 0.000 1.067 257 D HN 0.242 nan 8.370 nan 0.000 0.503 258 P HA -0.174 nan 4.420 nan 0.000 0.214 258 P C 1.934 179.492 177.300 0.429 0.000 1.162 258 P CA 0.846 64.076 63.100 0.217 0.000 0.879 258 P CB 0.392 32.441 31.700 0.582 0.000 0.786 259 I N 1.069 121.883 120.570 0.408 0.000 2.064 259 I HA -0.343 3.827 4.170 -0.000 0.000 0.234 259 I C 2.820 179.090 176.117 0.254 0.000 1.019 259 I CA 2.745 64.230 61.300 0.308 0.000 1.301 259 I CB -1.432 36.673 38.000 0.174 0.000 1.017 259 I HN 0.088 nan 8.210 nan 0.000 0.392 260 S N 1.044 116.870 115.700 0.210 0.000 2.387 260 S HA -0.289 4.181 4.470 -0.000 0.000 0.230 260 S C 2.001 176.761 174.600 0.267 0.000 1.035 260 S CA 1.469 59.778 58.200 0.181 0.000 1.014 260 S CB -1.346 61.966 63.200 0.187 0.000 0.836 260 S HN 0.479 nan 8.310 nan 0.000 0.466 261 F N 3.010 123.052 119.950 0.153 0.000 2.032 261 F HA -0.198 4.329 4.527 -0.000 0.000 0.297 261 F C 2.094 177.953 175.800 0.099 0.000 1.125 261 F CA 1.966 60.035 58.000 0.115 0.000 1.202 261 F CB -0.421 38.578 39.000 -0.001 0.000 0.958 261 F HN 0.118 nan 8.300 nan 0.000 0.491 262 I N 0.537 121.308 120.570 0.336 0.000 2.530 262 I HA -0.249 3.921 4.170 -0.000 0.000 0.257 262 I C 2.171 178.300 176.117 0.021 0.000 1.179 262 I CA 1.327 62.732 61.300 0.175 0.000 1.440 262 I CB -1.562 36.595 38.000 0.262 0.000 1.087 262 I HN 0.235 nan 8.210 nan 0.000 0.440 263 K N 0.519 120.915 120.400 -0.007 0.000 2.211 263 K HA -0.140 4.180 4.320 -0.000 0.000 0.203 263 K C 2.084 178.537 176.600 -0.245 0.000 1.050 263 K CA 1.382 57.590 56.287 -0.132 0.000 0.945 263 K CB -0.166 32.226 32.500 -0.181 0.000 0.732 263 K HN 0.418 nan 8.250 nan 0.000 0.451 264 H N -1.338 117.640 119.070 -0.153 0.000 2.399 264 H HA 0.180 4.736 4.556 0.000 0.000 0.300 264 H C 1.455 176.652 175.328 -0.219 0.000 1.048 264 H CA 1.128 57.060 56.048 -0.194 0.000 1.370 264 H CB 0.090 29.699 29.762 -0.254 0.000 1.428 264 H HN 0.272 nan 8.280 nan 0.000 0.534 265 A N 1.530 124.246 122.820 -0.172 0.000 2.239 265 A HA -0.079 4.241 4.320 -0.000 0.000 0.209 265 A C 2.273 179.807 177.584 -0.083 0.000 1.171 265 A CA 0.530 52.465 52.037 -0.171 0.000 0.768 265 A CB -0.400 18.460 19.000 -0.233 0.000 0.790 265 A HN 0.291 nan 8.150 nan 0.000 0.478 266 K N 0.125 120.480 120.400 -0.074 0.000 2.113 266 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 266 K C 0.744 177.319 176.600 -0.041 0.000 1.047 266 K CA 2.031 58.286 56.287 -0.054 0.000 0.928 266 K CB -0.100 32.359 32.500 -0.067 0.000 0.716 266 K HN 0.416 nan 8.250 nan 0.000 0.446 267 D N -0.300 120.074 120.400 -0.044 0.000 2.216 267 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 267 D C 1.720 178.011 176.300 -0.016 0.000 0.960 267 D CA 1.087 55.071 54.000 -0.027 0.000 0.861 267 D CB -0.146 40.636 40.800 -0.031 0.000 0.985 267 D HN 0.312 nan 8.370 nan 0.000 0.493 268 A N 0.538 123.341 122.820 -0.029 0.000 1.969 268 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 268 A C 2.148 179.739 177.584 0.011 0.000 1.169 268 A CA 1.109 53.135 52.037 -0.018 0.000 0.635 268 A CB -0.424 18.550 19.000 -0.042 0.000 0.810 268 A HN 0.120 nan 8.150 nan 0.000 0.445 269 M N -0.623 118.984 119.600 0.011 0.000 2.073 269 M HA -0.026 4.454 4.480 -0.000 0.000 0.259 269 M C 1.906 178.260 176.300 0.090 0.000 1.079 269 M CA 1.000 56.326 55.300 0.045 0.000 1.131 269 M CB -0.473 32.138 32.600 0.019 0.000 1.316 269 M HN 0.214 nan 8.290 nan 0.000 0.415 270 L N 0.127 121.380 121.223 0.049 0.000 2.081 270 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 270 L C 2.441 179.393 176.870 0.136 0.000 1.080 270 L CA 1.869 56.757 54.840 0.079 0.000 0.754 270 L CB -2.266 39.803 42.059 0.016 0.000 0.893 270 L HN 0.418 nan 8.230 nan 0.000 0.433 271 T N 0.487 115.090 114.554 0.082 0.000 2.614 271 T HA -0.161 4.189 4.350 -0.000 0.000 0.263 271 T C 2.037 176.789 174.700 0.086 0.000 1.055 271 T CA 1.666 63.807 62.100 0.068 0.000 1.162 271 T CB -0.312 68.577 68.868 0.035 0.000 0.863 271 T HN 0.441 nan 8.240 nan 0.000 0.414 272 A N 0.919 123.790 122.820 0.083 0.000 1.940 272 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 272 A C 2.058 179.701 177.584 0.099 0.000 1.176 272 A CA 1.630 53.711 52.037 0.074 0.000 0.631 272 A CB -1.111 17.930 19.000 0.067 0.000 0.814 272 A HN 0.515 nan 8.150 nan 0.000 0.446 273 F N 0.332 120.293 119.950 0.019 0.000 2.202 273 F HA -0.142 4.385 4.527 -0.000 0.000 0.301 273 F C 1.986 177.804 175.800 0.031 0.000 1.082 273 F CA 1.957 59.976 58.000 0.032 0.000 1.313 273 F CB 0.128 39.153 39.000 0.041 0.000 1.024 273 F HN 0.044 nan 8.300 nan 0.000 0.495 274 V N -0.597 119.403 119.914 0.144 0.000 2.825 274 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 274 V C 2.386 178.474 176.094 -0.011 0.000 1.068 274 V CA 1.708 64.041 62.300 0.055 0.000 1.088 274 V CB -0.578 31.324 31.823 0.132 0.000 0.733 274 V HN 0.539 nan 8.190 nan 0.000 0.468 275 T N -2.280 112.277 114.554 0.006 0.000 2.978 275 T HA -0.072 4.278 4.350 -0.000 0.000 0.262 275 T C 1.343 176.025 174.700 -0.030 0.000 1.063 275 T CA 0.747 62.844 62.100 -0.004 0.000 1.140 275 T CB -0.139 68.734 68.868 0.008 0.000 0.886 275 T HN 0.435 nan 8.240 nan 0.000 0.470 276 R N -0.234 120.235 120.500 -0.052 0.000 3.994 276 R HA -0.128 4.211 4.340 -0.000 0.000 0.403 276 R C 0.248 176.524 176.300 -0.041 0.000 1.126 276 R CA 0.895 56.951 56.100 -0.073 0.000 1.143 276 R CB -2.502 27.745 30.300 -0.089 0.000 1.695 276 R HN 0.479 nan 8.270 nan 0.000 0.555 277 S N 0.292 115.979 115.700 -0.023 0.000 2.790 277 S HA 0.269 4.739 4.470 -0.000 0.000 0.202 277 S C 1.136 175.726 174.600 -0.017 0.000 1.383 277 S CA 0.244 58.432 58.200 -0.019 0.000 1.026 277 S CB 1.203 64.395 63.200 -0.014 0.000 1.253 277 S HN 0.324 nan 8.310 nan 0.000 0.489 278 S N 2.947 118.636 115.700 -0.017 0.000 2.389 278 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 278 S C 2.135 176.724 174.600 -0.018 0.000 1.052 278 S CA 2.454 60.649 58.200 -0.008 0.000 1.053 278 S CB -0.574 62.622 63.200 -0.005 0.000 0.886 278 S HN 0.774 nan 8.310 nan 0.000 0.456 279 S N -0.051 115.626 115.700 -0.039 0.000 2.345 279 S HA 0.026 4.496 4.470 -0.000 0.000 0.220 279 S C 2.000 176.578 174.600 -0.037 0.000 1.031 279 S CA 1.552 59.719 58.200 -0.054 0.000 0.996 279 S CB -1.060 62.085 63.200 -0.091 0.000 0.882 279 S HN 0.722 nan 8.310 nan 0.000 0.445 280 G N -0.379 108.403 108.800 -0.029 0.000 2.559 280 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.216 280 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.216 280 G C 0.925 175.820 174.900 -0.008 0.000 1.126 280 G CA 1.135 46.224 45.100 -0.018 0.000 0.778 280 G HN 0.556 nan 8.290 nan 0.000 0.543 281 T N 0.748 115.298 114.554 -0.005 0.000 3.251 281 T HA 0.191 4.541 4.350 -0.000 0.000 0.259 281 T C 1.604 176.306 174.700 0.002 0.000 0.998 281 T CA -0.411 61.691 62.100 0.003 0.000 0.905 281 T CB 0.461 69.337 68.868 0.012 0.000 1.067 281 T HN 0.121 nan 8.240 nan 0.000 0.569 282 L N 2.415 123.636 121.223 -0.003 0.000 2.095 282 L HA 0.219 4.559 4.340 -0.000 0.000 0.204 282 L C -1.071 175.803 176.870 0.008 0.000 1.080 282 L CA 1.402 56.243 54.840 0.002 0.000 0.759 282 L CB -0.906 41.149 42.059 -0.006 0.000 0.914 282 L HN 0.024 nan 8.230 nan 0.000 0.439 283 P HA -0.130 nan 4.420 nan 0.000 0.215 283 P C 1.976 179.273 177.300 -0.004 0.000 1.157 283 P CA 1.462 64.567 63.100 0.007 0.000 0.868 283 P CB -0.047 31.656 31.700 0.004 0.000 0.788 284 V N -0.855 119.054 119.914 -0.008 0.000 2.759 284 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 284 V C 2.084 178.158 176.094 -0.033 0.000 1.080 284 V CA 2.152 64.442 62.300 -0.018 0.000 1.101 284 V CB -1.692 30.126 31.823 -0.008 0.000 0.698 284 V HN 0.204 nan 8.190 nan 0.000 0.477 285 T N -0.359 114.181 114.554 -0.024 0.000 3.014 285 T HA 0.052 4.402 4.350 -0.000 0.000 0.263 285 T C 1.765 176.423 174.700 -0.071 0.000 1.078 285 T CA 1.083 63.162 62.100 -0.035 0.000 1.135 285 T CB -0.099 68.768 68.868 -0.002 0.000 0.895 285 T HN 0.352 nan 8.240 nan 0.000 0.480 286 M N 0.250 119.819 119.600 -0.052 0.000 2.394 286 M HA 0.188 4.668 4.480 -0.000 0.000 0.266 286 M C 2.443 178.617 176.300 -0.210 0.000 1.098 286 M CA 0.657 55.898 55.300 -0.099 0.000 1.149 286 M CB -0.172 32.487 32.600 0.099 0.000 1.369 286 M HN 0.021 nan 8.290 nan 0.000 0.450 287 R N 0.800 121.234 120.500 -0.110 0.000 2.091 287 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 287 R C 1.677 177.880 176.300 -0.161 0.000 1.136 287 R CA 1.483 57.521 56.100 -0.103 0.000 0.959 287 R CB -0.174 30.091 30.300 -0.057 0.000 0.856 287 R HN 0.210 nan 8.270 nan 0.000 0.437 288 V N 1.093 120.909 119.914 -0.164 0.000 2.970 288 V HA -0.098 4.022 4.120 -0.000 0.000 0.260 288 V C 2.385 178.306 176.094 -0.287 0.000 1.100 288 V CA 1.260 63.453 62.300 -0.180 0.000 1.122 288 V CB -0.318 31.417 31.823 -0.147 0.000 0.721 288 V HN 0.493 nan 8.190 nan 0.000 0.483 289 A N 0.813 123.383 122.820 -0.416 0.000 1.849 289 A HA -0.268 4.051 4.320 -0.000 0.000 0.217 289 A C 2.292 179.506 177.584 -0.617 0.000 1.202 289 A CA 2.265 53.904 52.037 -0.664 0.000 0.629 289 A CB -0.427 17.726 19.000 -1.411 0.000 0.834 289 A HN 0.532 nan 8.150 nan 0.000 0.447 290 K N -0.810 119.216 120.400 -0.623 0.000 1.967 290 K HA -0.138 4.182 4.320 -0.000 0.000 0.212 290 K C 1.804 178.278 176.600 -0.211 0.000 1.044 290 K CA 1.332 57.443 56.287 -0.294 0.000 0.942 290 K CB -0.436 31.984 32.500 -0.134 0.000 0.726 290 K HN 0.564 nan 8.250 nan 0.000 0.440 291 E N 0.634 120.730 120.200 -0.174 0.000 2.476 291 E HA -0.282 4.068 4.350 -0.000 0.000 0.241 291 E C 1.395 177.862 176.600 -0.221 0.000 1.154 291 E CA 2.169 58.491 56.400 -0.130 0.000 1.002 291 E CB -0.588 29.069 29.700 -0.072 0.000 0.834 291 E HN 0.502 nan 8.360 nan 0.000 0.454 292 M N -1.961 117.448 119.600 -0.319 0.000 2.859 292 M HA 0.429 4.909 4.480 -0.000 0.000 0.297 292 M C 0.607 176.769 176.300 -0.230 0.000 1.268 292 M CA 0.352 55.398 55.300 -0.424 0.000 1.003 292 M CB 0.421 32.689 32.600 -0.553 0.000 1.308 292 M HN 0.012 nan 8.290 nan 0.000 0.502 293 G N 2.299 111.007 108.800 -0.154 0.000 2.393 293 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.299 293 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.299 293 G C -0.305 174.571 174.900 -0.039 0.000 0.990 293 G CA 0.116 45.170 45.100 -0.075 0.000 1.118 293 G HN 0.732 nan 8.290 nan 0.000 0.513 294 I N 0.483 121.032 120.570 -0.035 0.000 2.353 294 I HA 0.284 4.453 4.170 -0.000 0.000 0.293 294 I C 1.129 177.374 176.117 0.213 0.000 0.992 294 I CA -0.548 60.788 61.300 0.059 0.000 1.268 294 I CB 1.697 39.710 38.000 0.021 0.000 1.387 294 I HN 0.243 nan 8.210 nan 0.000 0.478 295 S N 3.877 119.669 115.700 0.154 0.000 2.546 295 S HA -0.061 4.409 4.470 -0.000 0.000 0.290 295 S C 1.174 175.825 174.600 0.085 0.000 1.290 295 S CA -0.196 58.069 58.200 0.108 0.000 1.069 295 S CB 0.619 63.839 63.200 0.033 0.000 0.846 295 S HN 0.694 nan 8.310 nan 0.000 0.495 296 E N 4.763 124.958 120.200 -0.009 0.000 2.035 296 E HA -0.134 4.216 4.350 -0.000 0.000 0.204 296 E C 2.027 178.383 176.600 -0.407 0.000 1.025 296 E CA 2.269 58.484 56.400 -0.308 0.000 0.835 296 E CB -1.104 28.510 29.700 -0.144 0.000 0.764 296 E HN 0.845 nan 8.360 nan 0.000 0.457 297 G N -0.801 107.885 108.800 -0.190 0.000 2.527 297 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 297 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 297 G C 1.259 176.095 174.900 -0.107 0.000 1.117 297 G CA 1.047 46.063 45.100 -0.140 0.000 0.759 297 G HN 0.266 nan 8.290 nan 0.000 0.556 298 I N -0.628 119.882 120.570 -0.100 0.000 2.512 298 I HA 0.082 4.252 4.170 -0.000 0.000 0.247 298 I C 2.235 178.399 176.117 0.079 0.000 1.094 298 I CA 0.242 61.545 61.300 0.006 0.000 1.427 298 I CB -0.788 37.234 38.000 0.037 0.000 1.149 298 I HN 0.387 nan 8.210 nan 0.000 0.438 299 Y N -1.472 118.858 120.300 0.051 0.000 2.544 299 Y HA 0.216 4.766 4.550 0.000 0.000 0.286 299 Y C 2.296 178.229 175.900 0.055 0.000 1.141 299 Y CA 0.595 58.724 58.100 0.047 0.000 1.299 299 Y CB -0.953 37.515 38.460 0.012 0.000 1.030 299 Y HN 0.021 nan 8.280 nan 0.000 0.543 300 S N -0.409 115.093 115.700 -0.330 0.000 2.489 300 S HA -0.068 4.401 4.470 -0.000 0.000 0.228 300 S C 1.436 176.035 174.600 -0.003 0.000 0.995 300 S CA 0.820 58.894 58.200 -0.209 0.000 0.934 300 S CB -0.539 62.493 63.200 -0.279 0.000 0.771 300 S HN 0.619 nan 8.310 nan 0.000 0.522 301 F N 1.481 121.378 119.950 -0.088 0.000 2.453 301 F HA 0.126 4.654 4.527 0.001 0.000 0.284 301 F C 2.438 178.241 175.800 0.005 0.000 1.065 301 F CA 1.499 59.474 58.000 -0.042 0.000 1.411 301 F CB -0.521 38.453 39.000 -0.043 0.000 1.131 301 F HN 0.304 nan 8.300 nan 0.000 0.582 302 T N -0.309 114.358 114.554 0.188 0.000 2.770 302 T HA -0.070 4.280 4.350 -0.000 0.000 0.258 302 T C 2.009 176.763 174.700 0.090 0.000 1.039 302 T CA 1.112 63.304 62.100 0.154 0.000 1.143 302 T CB -0.907 68.122 68.868 0.269 0.000 0.866 302 T HN 0.120 nan 8.240 nan 0.000 0.428 303 L N 2.287 123.582 121.223 0.120 0.000 2.089 303 L HA -0.018 4.321 4.340 -0.000 0.000 0.213 303 L C -0.095 176.785 176.870 0.017 0.000 1.079 303 L CA 1.977 56.877 54.840 0.100 0.000 0.758 303 L CB -2.623 39.517 42.059 0.136 0.000 0.891 303 L HN 0.384 nan 8.230 nan 0.000 0.433 304 P HA -0.094 nan 4.420 nan 0.000 0.231 304 P C 1.952 179.147 177.300 -0.175 0.000 1.168 304 P CA 0.720 63.761 63.100 -0.098 0.000 0.779 304 P CB 0.200 31.833 31.700 -0.110 0.000 0.844 305 L N 0.363 121.438 121.223 -0.246 0.000 2.168 305 L HA 0.333 4.673 4.340 -0.000 0.000 0.203 305 L C 2.272 178.928 176.870 -0.357 0.000 1.078 305 L CA 1.863 56.498 54.840 -0.343 0.000 0.780 305 L CB -1.523 40.248 42.059 -0.480 0.000 0.939 305 L HN -0.090 nan 8.230 nan 0.000 0.451 306 G N -1.261 107.365 108.800 -0.291 0.000 2.848 306 G HA2 0.009 3.969 3.960 -0.000 0.000 0.208 306 G HA3 0.009 3.969 3.960 -0.000 0.000 0.208 306 G C 1.421 176.283 174.900 -0.064 0.000 1.152 306 G CA 0.542 45.499 45.100 -0.238 0.000 0.789 306 G HN 0.551 nan 8.290 nan 0.000 0.531 307 A N 0.559 123.328 122.820 -0.085 0.000 2.014 307 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 307 A C 2.517 180.051 177.584 -0.083 0.000 1.163 307 A CA 2.324 54.325 52.037 -0.059 0.000 0.652 307 A CB -0.325 18.634 19.000 -0.068 0.000 0.808 307 A HN 0.453 nan 8.150 nan 0.000 0.449 308 T N -3.129 111.351 114.554 -0.122 0.000 3.071 308 T HA 0.399 4.749 4.350 -0.000 0.000 0.239 308 T C 0.917 175.555 174.700 -0.103 0.000 0.997 308 T CA 0.052 62.081 62.100 -0.119 0.000 1.134 308 T CB -0.319 68.464 68.868 -0.141 0.000 0.928 308 T HN 0.181 nan 8.240 nan 0.000 0.453 309 I N 2.091 122.562 120.570 -0.165 0.000 3.110 309 I HA 0.323 4.493 4.170 -0.000 0.000 0.314 309 I C 0.335 176.364 176.117 -0.147 0.000 1.020 309 I CA -0.653 60.544 61.300 -0.172 0.000 1.169 309 I CB 0.347 38.184 38.000 -0.273 0.000 1.437 309 I HN 0.311 nan 8.210 nan 0.000 0.595 310 N N 2.941 121.627 118.700 -0.023 0.000 2.699 310 N HA -0.197 4.543 4.740 -0.000 0.000 0.257 310 N C -0.778 174.861 175.510 0.215 0.000 1.077 310 N CA 0.658 53.853 53.050 0.241 0.000 0.702 310 N CB -0.585 38.434 38.487 0.886 0.000 0.886 310 N HN 0.581 nan 8.380 nan 0.000 0.549 311 M N 0.948 120.630 119.600 0.136 0.000 3.344 311 M HA 0.126 4.605 4.480 -0.000 0.000 0.224 311 M C 0.931 177.309 176.300 0.130 0.000 1.164 311 M CA -0.537 54.834 55.300 0.118 0.000 1.135 311 M CB 0.399 33.038 32.600 0.066 0.000 1.228 311 M HN 0.178 nan 8.290 nan 0.000 0.586 312 D N -0.107 120.396 120.400 0.171 0.000 2.354 312 D HA -0.143 4.497 4.640 -0.000 0.000 0.216 312 D C 1.563 177.959 176.300 0.160 0.000 0.970 312 D CA 1.241 55.339 54.000 0.164 0.000 0.905 312 D CB -0.375 40.533 40.800 0.180 0.000 0.903 312 D HN 0.506 nan 8.370 nan 0.000 0.508 313 G N -0.426 108.463 108.800 0.148 0.000 2.430 313 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 313 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 313 G C 1.624 176.578 174.900 0.090 0.000 1.146 313 G CA 0.922 46.092 45.100 0.116 0.000 0.793 313 G HN 0.350 nan 8.290 nan 0.000 0.537 314 T N 1.393 115.996 114.554 0.083 0.000 2.894 314 T HA 0.197 4.547 4.350 -0.000 0.000 0.258 314 T C 2.842 177.641 174.700 0.164 0.000 1.043 314 T CA 0.976 63.126 62.100 0.083 0.000 1.141 314 T CB -0.240 68.649 68.868 0.033 0.000 0.873 314 T HN 0.300 nan 8.240 nan 0.000 0.449 315 A N 1.604 124.503 122.820 0.132 0.000 1.948 315 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 315 A C 2.246 179.904 177.584 0.123 0.000 1.177 315 A CA 1.374 53.486 52.037 0.125 0.000 0.636 315 A CB -0.902 18.161 19.000 0.105 0.000 0.815 315 A HN 0.517 nan 8.150 nan 0.000 0.449 316 L N -2.122 119.175 121.223 0.123 0.000 2.093 316 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 316 L C 2.441 179.376 176.870 0.109 0.000 1.085 316 L CA 1.979 56.876 54.840 0.096 0.000 0.755 316 L CB -0.391 41.720 42.059 0.088 0.000 0.904 316 L HN 0.555 nan 8.230 nan 0.000 0.435 317 Y N 1.033 121.336 120.300 0.005 0.000 2.070 317 Y HA -0.356 4.194 4.550 -0.000 0.000 0.280 317 Y C 2.634 178.545 175.900 0.018 0.000 1.148 317 Y CA 2.243 60.335 58.100 -0.013 0.000 1.125 317 Y CB -0.371 38.074 38.460 -0.026 0.000 0.975 317 Y HN 0.267 nan 8.280 nan 0.000 0.492 318 Q N -0.444 119.477 119.800 0.202 0.000 2.291 318 Q HA -0.120 4.220 4.340 -0.000 0.000 0.206 318 Q C 2.340 178.363 176.000 0.038 0.000 0.976 318 Q CA 0.919 56.781 55.803 0.099 0.000 0.875 318 Q CB -0.376 28.476 28.738 0.191 0.000 0.927 318 Q HN 0.702 nan 8.270 nan 0.000 0.450 319 G N 0.068 108.908 108.800 0.068 0.000 2.395 319 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.214 319 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.214 319 G C 1.457 176.467 174.900 0.184 0.000 1.177 319 G CA 0.496 45.668 45.100 0.120 0.000 0.794 319 G HN 0.203 nan 8.290 nan 0.000 0.532 320 V N 1.501 121.463 119.914 0.080 0.000 2.488 320 V HA 0.007 4.127 4.120 -0.000 0.000 0.246 320 V C 3.283 179.409 176.094 0.053 0.000 1.046 320 V CA 1.619 63.975 62.300 0.094 0.000 1.053 320 V CB -0.612 31.203 31.823 -0.012 0.000 0.679 320 V HN 0.445 nan 8.190 nan 0.000 0.458 321 A N 0.318 123.042 122.820 -0.160 0.000 1.892 321 A HA -0.283 4.036 4.320 -0.000 0.000 0.218 321 A C 2.405 179.984 177.584 -0.009 0.000 1.188 321 A CA 2.815 54.721 52.037 -0.217 0.000 0.631 321 A CB -1.148 17.569 19.000 -0.473 0.000 0.822 321 A HN 0.496 nan 8.150 nan 0.000 0.447 322 T N -0.262 114.279 114.554 -0.021 0.000 2.607 322 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 322 T C 1.502 176.141 174.700 -0.102 0.000 1.049 322 T CA 1.879 63.922 62.100 -0.094 0.000 1.162 322 T CB -0.578 68.168 68.868 -0.203 0.000 0.863 322 T HN 0.437 nan 8.240 nan 0.000 0.424 323 F N 0.365 120.333 119.950 0.029 0.000 2.307 323 F HA 0.030 4.557 4.527 -0.000 0.000 0.301 323 F C 1.930 177.753 175.800 0.039 0.000 1.076 323 F CA 0.542 58.559 58.000 0.029 0.000 1.383 323 F CB -0.714 38.307 39.000 0.035 0.000 1.055 323 F HN 0.117 nan 8.300 nan 0.000 0.526 324 F N 0.598 120.593 119.950 0.075 0.000 2.084 324 F HA -0.188 4.339 4.527 -0.000 0.000 0.296 324 F C 2.221 178.013 175.800 -0.014 0.000 1.111 324 F CA 1.327 59.339 58.000 0.021 0.000 1.224 324 F CB -0.302 38.681 39.000 -0.030 0.000 0.991 324 F HN -0.221 nan 8.300 nan 0.000 0.471 325 I N 1.217 121.885 120.570 0.163 0.000 2.076 325 I HA -0.315 3.855 4.170 -0.000 0.000 0.237 325 I C 2.855 178.889 176.117 -0.140 0.000 1.059 325 I CA 1.608 62.919 61.300 0.017 0.000 1.317 325 I CB -2.210 35.806 38.000 0.027 0.000 1.037 325 I HN 0.272 nan 8.210 nan 0.000 0.398 326 A N 1.502 124.240 122.820 -0.136 0.000 1.896 326 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 326 A C 2.065 179.560 177.584 -0.149 0.000 1.206 326 A CA 2.596 54.537 52.037 -0.161 0.000 0.647 326 A CB -1.031 17.869 19.000 -0.166 0.000 0.828 326 A HN 0.518 nan 8.150 nan 0.000 0.455 327 N N 0.144 118.772 118.700 -0.122 0.000 2.244 327 N HA -0.027 4.713 4.740 -0.000 0.000 0.183 327 N C 1.729 177.128 175.510 -0.184 0.000 1.016 327 N CA 1.495 54.462 53.050 -0.140 0.000 0.866 327 N CB -0.631 37.805 38.487 -0.085 0.000 0.980 327 N HN 0.522 nan 8.380 nan 0.000 0.430 328 A N 0.277 122.926 122.820 -0.284 0.000 1.969 328 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 328 A C 1.838 179.349 177.584 -0.121 0.000 1.169 328 A CA 0.951 52.827 52.037 -0.268 0.000 0.635 328 A CB -0.325 18.434 19.000 -0.402 0.000 0.810 328 A HN 0.134 nan 8.150 nan 0.000 0.445 329 L N -1.493 119.649 121.223 -0.135 0.000 2.341 329 L HA 0.262 4.602 4.340 -0.000 0.000 0.214 329 L C 1.779 178.636 176.870 -0.020 0.000 1.115 329 L CA 1.182 55.971 54.840 -0.085 0.000 0.820 329 L CB -0.627 41.299 42.059 -0.222 0.000 0.944 329 L HN 0.591 nan 8.230 nan 0.000 0.452 330 G N -1.144 107.611 108.800 -0.074 0.000 2.134 330 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.209 330 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.209 330 G C 0.377 175.184 174.900 -0.154 0.000 0.993 330 G CA 0.249 45.284 45.100 -0.109 0.000 0.669 330 G HN 0.364 nan 8.290 nan 0.000 0.519 331 S N 0.209 115.831 115.700 -0.130 0.000 2.525 331 S HA 0.658 5.128 4.470 -0.000 0.000 0.290 331 S C 0.004 174.496 174.600 -0.180 0.000 1.152 331 S CA -0.659 57.503 58.200 -0.063 0.000 1.072 331 S CB 0.548 63.806 63.200 0.097 0.000 1.027 331 S HN 0.317 nan 8.310 nan 0.000 0.500 332 H N 4.214 123.319 119.070 0.059 0.000 2.556 332 H HA 0.297 4.853 4.556 -0.000 0.000 0.310 332 H C -0.635 174.732 175.328 0.065 0.000 1.057 332 H CA -0.619 55.471 56.048 0.069 0.000 1.264 332 H CB 0.851 30.649 29.762 0.060 0.000 1.404 332 H HN 0.369 nan 8.280 nan 0.000 0.462 333 L N 2.872 124.189 121.223 0.157 0.000 2.477 333 L HA -0.020 4.320 4.340 -0.000 0.000 0.272 333 L C 1.379 178.327 176.870 0.130 0.000 1.157 333 L CA 0.499 55.386 54.840 0.079 0.000 0.889 333 L CB 0.073 42.087 42.059 -0.074 0.000 1.158 333 L HN 0.532 nan 8.230 nan 0.000 0.473 334 T N 3.589 118.198 114.554 0.092 0.000 2.779 334 T HA 0.198 4.547 4.350 -0.000 0.000 0.296 334 T C 0.179 174.926 174.700 0.079 0.000 0.938 334 T CA -0.499 61.652 62.100 0.084 0.000 1.119 334 T CB 0.402 69.308 68.868 0.064 0.000 0.891 334 T HN 0.441 nan 8.240 nan 0.000 0.526 335 V N 6.325 126.290 119.914 0.086 0.000 2.539 335 V HA 0.424 4.544 4.120 -0.000 0.000 0.300 335 V C 1.308 177.439 176.094 0.062 0.000 1.019 335 V CA 2.114 64.463 62.300 0.082 0.000 1.160 335 V CB -0.047 31.817 31.823 0.069 0.000 0.901 335 V HN 1.273 nan 8.190 nan 0.000 0.481 336 G N 4.220 113.056 108.800 0.060 0.000 3.288 336 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.195 336 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.195 336 G C 0.671 175.598 174.900 0.046 0.000 1.093 336 G CA 0.467 45.597 45.100 0.049 0.000 0.852 336 G HN 1.023 nan 8.290 nan 0.000 0.453 337 Q N 0.222 120.048 119.800 0.043 0.000 2.391 337 Q HA 0.328 4.668 4.340 -0.000 0.000 0.211 337 Q C 2.079 178.088 176.000 0.016 0.000 0.908 337 Q CA 1.006 56.826 55.803 0.028 0.000 0.920 337 Q CB -0.039 28.712 28.738 0.021 0.000 1.056 337 Q HN 0.543 nan 8.270 nan 0.000 0.523 338 Q N 1.262 121.087 119.800 0.042 0.000 2.172 338 Q HA -0.093 4.246 4.340 -0.000 0.000 0.200 338 Q C 1.664 177.721 176.000 0.095 0.000 0.964 338 Q CA 1.114 56.961 55.803 0.075 0.000 0.855 338 Q CB 0.148 28.989 28.738 0.173 0.000 0.918 338 Q HN 0.538 nan 8.270 nan 0.000 0.444 339 L N -2.648 118.621 121.223 0.076 0.000 2.567 339 L HA 0.259 4.599 4.340 -0.000 0.000 0.225 339 L C 1.590 178.495 176.870 0.058 0.000 1.119 339 L CA 0.846 55.728 54.840 0.070 0.000 0.871 339 L CB -0.637 41.458 42.059 0.061 0.000 1.036 339 L HN -0.144 nan 8.230 nan 0.000 0.459 340 T N 0.219 114.803 114.554 0.049 0.000 2.985 340 T HA 0.153 4.503 4.350 -0.000 0.000 0.266 340 T C 1.926 176.652 174.700 0.043 0.000 1.076 340 T CA 1.467 63.594 62.100 0.045 0.000 1.135 340 T CB -0.223 68.668 68.868 0.038 0.000 0.890 340 T HN 0.322 nan 8.240 nan 0.000 0.480 341 I N 0.694 121.283 120.570 0.033 0.000 2.252 341 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 341 I C 2.566 178.717 176.117 0.057 0.000 1.102 341 I CA 0.782 62.099 61.300 0.030 0.000 1.385 341 I CB -0.520 37.480 38.000 0.000 0.000 1.064 341 I HN 0.097 nan 8.210 nan 0.000 0.414 342 V N 1.487 121.441 119.914 0.066 0.000 2.255 342 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 342 V C 2.331 178.462 176.094 0.061 0.000 1.051 342 V CA 1.850 64.189 62.300 0.064 0.000 1.018 342 V CB -0.338 31.520 31.823 0.058 0.000 0.641 342 V HN 0.393 nan 8.190 nan 0.000 0.445 343 L N -0.001 121.258 121.223 0.060 0.000 2.083 343 L HA -0.127 4.212 4.340 -0.000 0.000 0.209 343 L C 2.400 179.308 176.870 0.064 0.000 1.083 343 L CA 3.009 57.886 54.840 0.061 0.000 0.752 343 L CB -1.575 40.520 42.059 0.061 0.000 0.899 343 L HN 0.470 nan 8.230 nan 0.000 0.433 344 T N 0.561 115.154 114.554 0.064 0.000 2.732 344 T HA -0.018 4.332 4.350 -0.000 0.000 0.261 344 T C 2.004 176.748 174.700 0.073 0.000 1.040 344 T CA 1.287 63.428 62.100 0.069 0.000 1.145 344 T CB -0.369 68.538 68.868 0.066 0.000 0.866 344 T HN 0.503 nan 8.240 nan 0.000 0.427 345 A N 1.218 124.082 122.820 0.073 0.000 1.958 345 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 345 A C 2.541 180.175 177.584 0.083 0.000 1.178 345 A CA 1.696 53.784 52.037 0.084 0.000 0.642 345 A CB -1.200 17.851 19.000 0.085 0.000 0.816 345 A HN 0.368 nan 8.150 nan 0.000 0.453 346 V N -0.496 119.463 119.914 0.074 0.000 2.270 346 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 346 V C 2.454 178.587 176.094 0.065 0.000 1.043 346 V CA 1.964 64.307 62.300 0.072 0.000 1.014 346 V CB -0.810 31.053 31.823 0.067 0.000 0.645 346 V HN 0.501 nan 8.190 nan 0.000 0.447 347 L N 0.699 121.959 121.223 0.062 0.000 2.093 347 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 347 L C 2.602 179.508 176.870 0.060 0.000 1.085 347 L CA 2.090 56.962 54.840 0.054 0.000 0.755 347 L CB -1.404 40.689 42.059 0.055 0.000 0.904 347 L HN 0.275 nan 8.230 nan 0.000 0.435 348 A N -0.400 122.464 122.820 0.073 0.000 1.972 348 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 348 A C 2.523 180.157 177.584 0.083 0.000 1.169 348 A CA 1.897 53.984 52.037 0.084 0.000 0.635 348 A CB -0.755 18.304 19.000 0.099 0.000 0.810 348 A HN 0.531 nan 8.150 nan 0.000 0.446 349 S N -0.118 115.630 115.700 0.080 0.000 2.414 349 S HA 0.029 4.499 4.470 -0.000 0.000 0.227 349 S C 1.660 176.293 174.600 0.055 0.000 1.022 349 S CA 1.049 59.294 58.200 0.075 0.000 0.958 349 S CB -0.636 62.614 63.200 0.084 0.000 0.797 349 S HN 0.467 nan 8.310 nan 0.000 0.493 350 I N 1.986 122.584 120.570 0.046 0.000 3.176 350 I HA 0.052 4.222 4.170 -0.000 0.000 0.275 350 I C 2.361 178.492 176.117 0.023 0.000 1.298 350 I CA 0.758 62.071 61.300 0.021 0.000 1.445 350 I CB -0.532 37.475 38.000 0.012 0.000 1.075 350 I HN 0.502 nan 8.210 nan 0.000 0.482 351 G N 0.090 108.919 108.800 0.047 0.000 2.608 351 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.210 351 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.210 351 G C 0.813 175.772 174.900 0.099 0.000 1.139 351 G CA -0.029 45.111 45.100 0.066 0.000 0.812 351 G HN 0.228 nan 8.290 nan 0.000 0.529 352 T N 1.534 116.139 114.554 0.084 0.000 2.939 352 T HA 0.285 4.634 4.350 -0.000 0.000 0.312 352 T C 1.629 176.393 174.700 0.107 0.000 1.064 352 T CA 0.428 62.585 62.100 0.094 0.000 1.136 352 T CB 1.422 70.320 68.868 0.051 0.000 1.035 352 T HN 0.252 nan 8.240 nan 0.000 0.538 353 A N 2.346 125.277 122.820 0.186 0.000 2.123 353 A HA 0.471 4.791 4.320 -0.000 0.000 0.214 353 A C 1.773 179.297 177.584 -0.100 0.000 1.152 353 A CA 0.624 52.692 52.037 0.051 0.000 0.728 353 A CB -0.606 18.599 19.000 0.342 0.000 0.814 353 A HN 1.718 nan 8.150 nan 0.000 0.464 354 G N -1.091 107.693 108.800 -0.026 0.000 2.291 354 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.271 354 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.271 354 G C -0.190 174.684 174.900 -0.043 0.000 1.099 354 G CA 0.202 45.275 45.100 -0.044 0.000 0.919 354 G HN 1.036 nan 8.290 nan 0.000 0.496 355 V N -0.830 119.077 119.914 -0.011 0.000 3.182 355 V HA 0.608 4.728 4.120 -0.000 0.000 0.308 355 V C -1.071 175.027 176.094 0.006 0.000 1.240 355 V CA -0.807 61.495 62.300 0.004 0.000 1.063 355 V CB 1.844 33.693 31.823 0.044 0.000 1.076 355 V HN 0.021 nan 8.190 nan 0.000 0.446 356 P HA -0.218 nan 4.420 nan 0.000 0.214 356 P C 1.508 178.812 177.300 0.007 0.000 1.164 356 P CA 2.438 65.541 63.100 0.005 0.000 0.942 356 P CB -0.152 31.567 31.700 0.031 0.000 0.791 357 G N -0.140 108.682 108.800 0.037 0.000 2.446 357 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 357 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 357 G C 1.397 176.306 174.900 0.014 0.000 1.168 357 G CA 2.079 47.200 45.100 0.035 0.000 0.771 357 G HN 0.512 nan 8.290 nan 0.000 0.551 358 A N 0.453 123.297 122.820 0.040 0.000 2.731 358 A HA -0.272 4.048 4.320 -0.000 0.000 0.296 358 A C 2.764 180.348 177.584 0.001 0.000 1.475 358 A CA 3.360 55.422 52.037 0.042 0.000 1.120 358 A CB -1.633 17.376 19.000 0.016 0.000 0.542 358 A HN 1.608 nan 8.150 nan 0.000 0.407 359 G N -1.682 107.070 108.800 -0.080 0.000 2.859 359 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.236 359 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.236 359 G C 2.009 176.891 174.900 -0.031 0.000 1.207 359 G CA 3.603 48.607 45.100 -0.160 0.000 0.769 359 G HN 2.040 nan 8.290 nan 0.000 0.674 360 A N 0.638 123.427 122.820 -0.053 0.000 1.896 360 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 360 A C 2.517 180.222 177.584 0.201 0.000 1.206 360 A CA 2.238 54.355 52.037 0.132 0.000 0.647 360 A CB -0.607 18.436 19.000 0.073 0.000 0.828 360 A HN 0.559 nan 8.150 nan 0.000 0.455 361 I N -0.838 119.812 120.570 0.134 0.000 2.194 361 I HA -0.311 3.859 4.170 -0.000 0.000 0.246 361 I C 2.170 178.370 176.117 0.138 0.000 1.093 361 I CA 1.485 62.862 61.300 0.129 0.000 1.355 361 I CB -0.402 37.630 38.000 0.054 0.000 1.046 361 I HN 0.308 nan 8.210 nan 0.000 0.413 362 M N -0.166 119.509 119.600 0.126 0.000 2.659 362 M HA -0.045 4.435 4.480 -0.000 0.000 0.243 362 M C 2.033 178.431 176.300 0.164 0.000 1.111 362 M CA 0.831 56.207 55.300 0.127 0.000 1.070 362 M CB -0.940 31.724 32.600 0.106 0.000 1.525 362 M HN 0.268 nan 8.290 nan 0.000 0.517 363 L N 0.408 121.763 121.223 0.220 0.000 2.044 363 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 363 L C 2.284 179.274 176.870 0.200 0.000 1.075 363 L CA 1.834 56.820 54.840 0.242 0.000 0.747 363 L CB -0.845 41.415 42.059 0.334 0.000 0.903 363 L HN 0.284 nan 8.230 nan 0.000 0.435 364 C N -0.325 119.098 119.300 0.206 0.000 2.396 364 C HA -0.268 4.191 4.460 -0.000 0.000 0.277 364 C C 2.829 177.984 174.990 0.274 0.000 1.231 364 C CA 1.395 60.490 59.018 0.128 0.000 1.775 364 C CB -1.091 26.737 27.740 0.145 0.000 2.036 364 C HN 0.706 nan 8.230 nan 0.000 0.484 365 M N 0.404 120.136 119.600 0.220 0.000 2.108 365 M HA -0.159 4.320 4.480 -0.000 0.000 0.261 365 M C 2.197 178.591 176.300 0.158 0.000 1.066 365 M CA 1.967 57.378 55.300 0.185 0.000 1.107 365 M CB -0.304 32.370 32.600 0.123 0.000 1.356 365 M HN 0.298 nan 8.290 nan 0.000 0.406 366 V N 0.591 120.579 119.914 0.123 0.000 2.871 366 V HA -0.150 3.970 4.120 -0.000 0.000 0.256 366 V C 1.837 177.958 176.094 0.046 0.000 1.082 366 V CA 1.220 63.570 62.300 0.083 0.000 1.105 366 V CB -0.240 31.628 31.823 0.076 0.000 0.713 366 V HN 0.539 nan 8.190 nan 0.000 0.473 367 L N -0.979 120.258 121.223 0.023 0.000 2.102 367 L HA 0.006 4.346 4.340 -0.000 0.000 0.202 367 L C 2.618 179.436 176.870 -0.086 0.000 1.076 367 L CA 1.261 56.056 54.840 -0.075 0.000 0.761 367 L CB -1.006 40.957 42.059 -0.161 0.000 0.921 367 L HN 0.343 nan 8.230 nan 0.000 0.444 368 H N 0.216 119.290 119.070 0.005 0.000 2.460 368 H HA -0.063 4.492 4.556 -0.000 0.000 0.297 368 H C 1.172 176.516 175.328 0.026 0.000 1.103 368 H CA 1.155 57.210 56.048 0.012 0.000 1.292 368 H CB -0.149 29.616 29.762 0.005 0.000 1.376 368 H HN 0.341 nan 8.280 nan 0.000 0.531 369 S N -0.331 115.448 115.700 0.132 0.000 2.480 369 S HA 0.366 4.836 4.470 -0.000 0.000 0.286 369 S C 0.874 175.505 174.600 0.052 0.000 1.180 369 S CA -0.222 58.032 58.200 0.090 0.000 1.075 369 S CB 2.548 65.799 63.200 0.085 0.000 0.996 369 S HN 0.127 nan 8.310 nan 0.000 0.487 370 V N 1.037 120.979 119.914 0.046 0.000 4.485 370 V HA -0.112 4.008 4.120 -0.000 0.000 0.258 370 V C 1.082 177.200 176.094 0.040 0.000 0.560 370 V CA 0.568 62.882 62.300 0.023 0.000 0.954 370 V CB -2.152 29.660 31.823 -0.018 0.000 0.890 370 V HN 2.112 nan 8.190 nan 0.000 1.354 371 G N 0.687 109.529 108.800 0.070 0.000 2.352 371 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.283 371 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.283 371 G C -0.198 174.789 174.900 0.145 0.000 0.946 371 G CA 0.705 45.876 45.100 0.119 0.000 1.317 371 G HN 1.246 nan 8.290 nan 0.000 0.478 372 L N 0.901 122.149 121.223 0.041 0.000 2.613 372 L HA 0.210 4.550 4.340 -0.000 0.000 0.275 372 L C -2.341 174.444 176.870 -0.141 0.000 1.453 372 L CA -1.709 53.102 54.840 -0.048 0.000 0.725 372 L CB 1.676 43.636 42.059 -0.165 0.000 1.013 372 L HN 0.031 nan 8.230 nan 0.000 0.520 373 P HA 0.009 nan 4.420 nan 0.000 0.262 373 P C 0.684 177.899 177.300 -0.142 0.000 1.182 373 P CA -0.090 62.933 63.100 -0.129 0.000 0.761 373 P CB 0.708 32.447 31.700 0.066 0.000 0.795 374 L N 2.547 123.622 121.223 -0.247 0.000 2.551 374 L HA -0.066 4.273 4.340 -0.000 0.000 0.228 374 L C 2.106 178.932 176.870 -0.073 0.000 1.153 374 L CA 1.608 56.330 54.840 -0.196 0.000 0.851 374 L CB -1.863 40.000 42.059 -0.327 0.000 0.959 374 L HN 0.408 nan 8.230 nan 0.000 0.451 375 T N -4.300 110.245 114.554 -0.015 0.000 3.163 375 T HA -0.064 4.286 4.350 -0.000 0.000 0.260 375 T C 0.663 175.386 174.700 0.038 0.000 1.156 375 T CA 0.055 62.167 62.100 0.020 0.000 1.072 375 T CB -0.424 68.471 68.868 0.045 0.000 0.937 375 T HN 0.170 nan 8.240 nan 0.000 0.528 376 D N 1.591 122.017 120.400 0.044 0.000 2.280 376 D HA 0.331 4.971 4.640 -0.000 0.000 0.236 376 D C -1.704 174.634 176.300 0.064 0.000 1.082 376 D CA -2.738 51.313 54.000 0.086 0.000 0.834 376 D CB 2.009 42.911 40.800 0.169 0.000 1.100 376 D HN -0.141 nan 8.370 nan 0.000 0.486 377 P HA -0.235 nan 4.420 nan 0.000 0.221 377 P C 0.820 178.162 177.300 0.069 0.000 1.160 377 P CA 1.453 64.596 63.100 0.071 0.000 0.933 377 P CB 0.275 32.023 31.700 0.080 0.000 0.793 378 N N -1.012 117.733 118.700 0.075 0.000 2.039 378 N HA -0.111 4.629 4.740 -0.000 0.000 0.193 378 N C 1.844 177.342 175.510 -0.020 0.000 1.044 378 N CA 1.115 54.188 53.050 0.037 0.000 0.847 378 N CB -1.514 36.998 38.487 0.043 0.000 1.030 378 N HN -0.031 nan 8.380 nan 0.000 0.422 379 V N 1.705 121.562 119.914 -0.094 0.000 2.252 379 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 379 V C 2.396 178.491 176.094 0.002 0.000 1.056 379 V CA 2.073 64.299 62.300 -0.124 0.000 1.022 379 V CB -1.197 30.513 31.823 -0.188 0.000 0.641 379 V HN 0.378 nan 8.190 nan 0.000 0.445 380 A N -0.370 122.455 122.820 0.009 0.000 2.019 380 A HA -0.067 4.252 4.320 -0.000 0.000 0.219 380 A C 2.359 180.018 177.584 0.124 0.000 1.164 380 A CA 2.021 54.091 52.037 0.055 0.000 0.644 380 A CB -0.622 18.390 19.000 0.019 0.000 0.805 380 A HN 0.610 nan 8.150 nan 0.000 0.449 381 A N -0.351 122.531 122.820 0.102 0.000 1.929 381 A HA 0.289 4.609 4.320 -0.000 0.000 0.216 381 A C 2.450 180.130 177.584 0.159 0.000 1.176 381 A CA 1.724 53.840 52.037 0.131 0.000 0.628 381 A CB -0.816 18.261 19.000 0.127 0.000 0.816 381 A HN 0.890 nan 8.150 nan 0.000 0.444 382 A N -1.322 121.584 122.820 0.144 0.000 1.840 382 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 382 A C 2.104 179.837 177.584 0.248 0.000 1.198 382 A CA 1.475 53.629 52.037 0.195 0.000 0.608 382 A CB -1.054 18.020 19.000 0.123 0.000 0.839 382 A HN 0.672 nan 8.150 nan 0.000 0.443 383 Y N 0.999 121.351 120.300 0.087 0.000 2.132 383 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 383 Y C 2.517 178.467 175.900 0.084 0.000 1.193 383 Y CA 1.781 59.924 58.100 0.070 0.000 1.157 383 Y CB -0.440 38.040 38.460 0.033 0.000 0.966 383 Y HN 0.311 nan 8.280 nan 0.000 0.511 384 A N -0.172 122.783 122.820 0.225 0.000 2.131 384 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 384 A C 2.136 179.755 177.584 0.058 0.000 1.158 384 A CA 1.857 53.980 52.037 0.144 0.000 0.665 384 A CB -0.719 18.378 19.000 0.162 0.000 0.795 384 A HN 0.665 nan 8.150 nan 0.000 0.460 385 M N -1.096 118.538 119.600 0.058 0.000 2.191 385 M HA 0.085 4.565 4.480 -0.000 0.000 0.262 385 M C 1.991 178.222 176.300 -0.115 0.000 1.083 385 M CA 1.247 56.563 55.300 0.027 0.000 1.154 385 M CB -0.390 32.298 32.600 0.148 0.000 1.344 385 M HN 0.314 nan 8.290 nan 0.000 0.431 386 I N 0.538 120.968 120.570 -0.232 0.000 2.286 386 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 386 I C 2.368 178.362 176.117 -0.204 0.000 1.115 386 I CA 0.839 61.940 61.300 -0.330 0.000 1.392 386 I CB -0.415 37.333 38.000 -0.421 0.000 1.065 386 I HN 0.261 nan 8.210 nan 0.000 0.418 387 L N 1.218 122.291 121.223 -0.249 0.000 2.265 387 L HA -0.043 4.297 4.340 -0.000 0.000 0.215 387 L C 2.131 178.983 176.870 -0.031 0.000 1.117 387 L CA 1.701 56.450 54.840 -0.151 0.000 0.782 387 L CB -0.868 41.080 42.059 -0.185 0.000 0.914 387 L HN 0.145 nan 8.230 nan 0.000 0.441 388 G N -0.149 108.613 108.800 -0.063 0.000 2.494 388 G HA2 -0.069 3.890 3.960 -0.000 0.000 0.216 388 G HA3 -0.069 3.890 3.960 -0.000 0.000 0.216 388 G C 1.311 176.174 174.900 -0.063 0.000 1.140 388 G CA 0.684 45.743 45.100 -0.067 0.000 0.801 388 G HN 0.591 nan 8.290 nan 0.000 0.536 389 I N -2.316 118.216 120.570 -0.064 0.000 3.914 389 I HA 0.344 4.513 4.170 -0.000 0.000 0.333 389 I C 1.264 177.371 176.117 -0.016 0.000 1.449 389 I CA -0.085 61.187 61.300 -0.046 0.000 1.135 389 I CB 0.497 38.459 38.000 -0.063 0.000 1.073 389 I HN -0.166 nan 8.210 nan 0.000 0.401 390 D N 2.969 123.365 120.400 -0.006 0.000 2.103 390 D HA -0.251 4.389 4.640 -0.000 0.000 0.190 390 D C 2.208 178.500 176.300 -0.013 0.000 0.997 390 D CA 2.448 56.460 54.000 0.021 0.000 0.833 390 D CB 0.185 40.997 40.800 0.021 0.000 0.961 390 D HN 0.423 nan 8.370 nan 0.000 0.447 391 A N 1.104 123.914 122.820 -0.017 0.000 1.909 391 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 391 A C 2.427 179.989 177.584 -0.037 0.000 1.223 391 A CA 2.340 54.357 52.037 -0.033 0.000 0.658 391 A CB -0.976 18.008 19.000 -0.025 0.000 0.831 391 A HN 0.415 nan 8.150 nan 0.000 0.462 392 I N -0.294 120.276 120.570 0.001 0.000 2.127 392 I HA -0.252 3.918 4.170 -0.000 0.000 0.241 392 I C 2.550 178.730 176.117 0.105 0.000 1.075 392 I CA 1.524 62.856 61.300 0.055 0.000 1.334 392 I CB -1.535 36.513 38.000 0.079 0.000 1.040 392 I HN 0.334 nan 8.210 nan 0.000 0.405 393 L N 0.187 121.452 121.223 0.070 0.000 2.141 393 L HA -0.196 4.143 4.340 -0.000 0.000 0.209 393 L C 2.328 179.142 176.870 -0.093 0.000 1.094 393 L CA 1.149 55.999 54.840 0.016 0.000 0.763 393 L CB -0.661 41.484 42.059 0.144 0.000 0.908 393 L HN 0.251 nan 8.230 nan 0.000 0.437 394 D N 0.555 120.881 120.400 -0.123 0.000 2.123 394 D HA -0.209 4.431 4.640 -0.000 0.000 0.196 394 D C 2.248 178.439 176.300 -0.182 0.000 0.992 394 D CA 1.547 55.433 54.000 -0.189 0.000 0.833 394 D CB 0.057 40.761 40.800 -0.160 0.000 0.954 394 D HN 0.200 nan 8.370 nan 0.000 0.455 395 M N -0.223 119.245 119.600 -0.221 0.000 2.084 395 M HA -0.049 4.431 4.480 -0.000 0.000 0.259 395 M C 2.459 178.588 176.300 -0.286 0.000 1.072 395 M CA 1.934 56.959 55.300 -0.458 0.000 1.107 395 M CB -0.790 31.296 32.600 -0.857 0.000 1.299 395 M HN 0.094 nan 8.290 nan 0.000 0.413 396 G N -0.222 108.588 108.800 0.017 0.000 2.470 396 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 396 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 396 G C 1.549 176.482 174.900 0.055 0.000 1.121 396 G CA 0.726 46.007 45.100 0.302 0.000 0.766 396 G HN 0.385 nan 8.290 nan 0.000 0.553 397 R N -0.080 120.379 120.500 -0.069 0.000 2.089 397 R HA -0.074 4.265 4.340 -0.000 0.000 0.222 397 R C 2.659 178.954 176.300 -0.008 0.000 1.151 397 R CA 1.987 58.047 56.100 -0.066 0.000 0.908 397 R CB -0.949 29.265 30.300 -0.145 0.000 0.813 397 R HN 0.217 nan 8.270 nan 0.000 0.440 398 T N 1.796 116.327 114.554 -0.038 0.000 2.684 398 T HA -0.315 4.034 4.350 -0.000 0.000 0.267 398 T C 1.698 176.429 174.700 0.051 0.000 1.032 398 T CA 2.135 64.229 62.100 -0.009 0.000 1.155 398 T CB -0.304 68.538 68.868 -0.043 0.000 0.857 398 T HN 0.387 nan 8.240 nan 0.000 0.457 399 M N 0.637 120.302 119.600 0.109 0.000 2.117 399 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 399 M C 2.131 178.489 176.300 0.096 0.000 1.065 399 M CA 1.604 56.999 55.300 0.159 0.000 1.114 399 M CB -0.225 32.563 32.600 0.315 0.000 1.361 399 M HN 0.126 nan 8.290 nan 0.000 0.408 400 V N 1.484 121.454 119.914 0.093 0.000 2.427 400 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 400 V C 1.915 178.071 176.094 0.103 0.000 1.051 400 V CA 1.764 64.107 62.300 0.072 0.000 1.048 400 V CB -1.263 30.635 31.823 0.124 0.000 0.666 400 V HN 0.521 nan 8.190 nan 0.000 0.456 401 N N 0.626 119.390 118.700 0.106 0.000 2.061 401 N HA -0.158 4.582 4.740 -0.000 0.000 0.193 401 N C 1.776 177.365 175.510 0.132 0.000 1.030 401 N CA 1.622 54.747 53.050 0.125 0.000 0.856 401 N CB -0.824 37.711 38.487 0.079 0.000 1.023 401 N HN 0.371 nan 8.380 nan 0.000 0.424 402 V N 0.995 120.963 119.914 0.090 0.000 2.261 402 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 402 V C 2.233 178.374 176.094 0.079 0.000 1.047 402 V CA 1.946 64.294 62.300 0.079 0.000 1.015 402 V CB -1.129 30.726 31.823 0.053 0.000 0.642 402 V HN 0.346 nan 8.190 nan 0.000 0.446 403 T N 0.690 115.258 114.554 0.025 0.000 2.624 403 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 403 T C 1.943 176.652 174.700 0.015 0.000 1.041 403 T CA 1.894 63.956 62.100 -0.064 0.000 1.159 403 T CB -0.932 67.761 68.868 -0.291 0.000 0.863 403 T HN 0.637 nan 8.240 nan 0.000 0.434 404 G N 1.711 110.613 108.800 0.169 0.000 2.469 404 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.220 404 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.220 404 G C 1.242 176.375 174.900 0.389 0.000 1.136 404 G CA 1.368 46.826 45.100 0.597 0.000 0.759 404 G HN 0.426 nan 8.290 nan 0.000 0.562 405 D N 0.623 121.192 120.400 0.282 0.000 2.077 405 D HA -0.087 4.553 4.640 -0.000 0.000 0.193 405 D C 2.711 179.076 176.300 0.109 0.000 0.989 405 D CA 0.649 54.794 54.000 0.243 0.000 0.831 405 D CB -0.664 40.271 40.800 0.226 0.000 0.979 405 D HN 0.307 nan 8.370 nan 0.000 0.449 406 L N 0.590 121.885 121.223 0.119 0.000 1.990 406 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 406 L C 2.436 179.400 176.870 0.157 0.000 1.072 406 L CA 1.525 56.435 54.840 0.116 0.000 0.755 406 L CB -1.024 41.101 42.059 0.109 0.000 0.889 406 L HN 0.048 nan 8.230 nan 0.000 0.432 407 T N -0.491 114.191 114.554 0.213 0.000 2.996 407 T HA -0.124 4.226 4.350 -0.000 0.000 0.271 407 T C 1.600 176.187 174.700 -0.189 0.000 1.126 407 T CA 1.168 63.324 62.100 0.093 0.000 1.103 407 T CB -0.322 68.738 68.868 0.320 0.000 0.870 407 T HN 0.635 nan 8.240 nan 0.000 0.528 408 G N 0.506 109.044 108.800 -0.435 0.000 2.576 408 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.210 408 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.210 408 G C 1.641 176.165 174.900 -0.627 0.000 1.143 408 G CA 0.526 44.891 45.100 -1.226 0.000 0.819 408 G HN 0.398 nan 8.290 nan 0.000 0.534 409 T N 2.044 116.429 114.554 -0.281 0.000 2.708 409 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 409 T C 2.819 177.457 174.700 -0.103 0.000 1.037 409 T CA 1.579 63.614 62.100 -0.109 0.000 1.146 409 T CB -0.365 68.516 68.868 0.023 0.000 0.865 409 T HN 0.320 nan 8.240 nan 0.000 0.435 410 A N 1.174 123.954 122.820 -0.066 0.000 1.908 410 A HA -0.070 4.249 4.320 -0.000 0.000 0.218 410 A C 2.144 179.646 177.584 -0.137 0.000 1.181 410 A CA 1.458 53.480 52.037 -0.025 0.000 0.627 410 A CB -0.712 18.373 19.000 0.141 0.000 0.818 410 A HN 0.427 nan 8.150 nan 0.000 0.445 411 I N -0.888 119.512 120.570 -0.284 0.000 2.439 411 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 411 I C 2.331 178.165 176.117 -0.473 0.000 1.139 411 I CA 0.884 61.878 61.300 -0.511 0.000 1.438 411 I CB -0.538 37.020 38.000 -0.736 0.000 1.085 411 I HN 0.183 nan 8.210 nan 0.000 0.427 412 V N 0.542 120.252 119.914 -0.341 0.000 2.548 412 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 412 V C 2.541 178.555 176.094 -0.134 0.000 1.055 412 V CA 1.711 63.878 62.300 -0.222 0.000 1.065 412 V CB -0.435 31.291 31.823 -0.161 0.000 0.681 412 V HN 0.392 nan 8.190 nan 0.000 0.462 413 A N 0.223 122.978 122.820 -0.108 0.000 1.898 413 A HA -0.207 4.112 4.320 -0.000 0.000 0.216 413 A C 2.171 179.727 177.584 -0.047 0.000 1.181 413 A CA 2.061 54.067 52.037 -0.053 0.000 0.620 413 A CB -0.694 18.292 19.000 -0.023 0.000 0.819 413 A HN 0.552 nan 8.150 nan 0.000 0.442 414 K N 0.493 120.853 120.400 -0.066 0.000 2.089 414 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 414 K C 1.623 178.230 176.600 0.012 0.000 1.048 414 K CA 2.469 58.746 56.287 -0.016 0.000 0.926 414 K CB -0.746 31.750 32.500 -0.006 0.000 0.714 414 K HN 0.571 nan 8.250 nan 0.000 0.448 415 T N -2.600 111.943 114.554 -0.017 0.000 3.145 415 T HA 0.210 4.560 4.350 -0.000 0.000 0.255 415 T C 0.274 174.970 174.700 -0.006 0.000 1.039 415 T CA -0.494 61.616 62.100 0.017 0.000 0.928 415 T CB 0.153 69.047 68.868 0.043 0.000 1.029 415 T HN 0.156 nan 8.240 nan 0.000 0.554 416 E N 0.000 120.187 120.200 -0.022 0.000 2.725 416 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 416 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 416 E CB 0.000 29.673 29.700 -0.045 0.000 0.812 416 E HN 0.000 nan 8.360 nan 0.000 0.440