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 1xds_1_B DATA FIRST_RESID 9 DATA SEQUENCE PLEPTDQDLD VLLKNLGNLV TPXALRVAAT LRLVDHLLXX XXXXXXXADR DATA SEQUENCE TDTHPQALSR LVRHLTVVGV LEGGEXXXRP LRPTRLGXLL ADGHPAQQRA DATA SEQUENCE WLDLNGAVSH ADLAFTGLLD VVRTGRPAYA GRYGRPFWED LSADVALADS DATA SEQUENCE FDALXSXXXX XXXEAPADAY DWSAVRHVLD VGGGNGGXLA AIALRAPHLR DATA SEQUENCE GTLVELAGPA ERARRRFADA GLADRVTVAE GDFFKPLPVT ADVVLLSFVL DATA SEQUENCE LNWSDEDALT ILRGCVRALE PGGRLLVLDR ADVEGDGADR FFSTLLDLRX DATA SEQUENCE LTFXGGRVRT RDEVVDLAGS AGLALASERT SGSTTLPFDF SILEFTAVS 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 9 P HA 0.000 nan 4.420 nan 0.000 0.216 9 P C 0.000 177.300 177.300 -0.000 0.000 1.155 9 P CA 0.000 63.100 63.100 0.000 0.000 0.800 9 P CB 0.000 31.700 31.700 0.000 0.000 0.726 10 L N 1.411 122.634 121.223 -0.000 0.000 2.461 10 L HA 0.328 4.668 4.340 0.000 0.000 0.272 10 L C 0.711 177.580 176.870 -0.001 0.000 1.197 10 L CA 0.095 54.934 54.840 -0.001 0.000 0.836 10 L CB 0.382 42.440 42.059 -0.001 0.000 1.105 10 L HN 0.336 nan 8.230 nan 0.000 0.477 11 E N 2.671 122.870 120.200 -0.001 0.000 2.220 11 E HA 0.345 4.695 4.350 0.000 0.000 0.256 11 E C -2.218 174.381 176.600 -0.002 0.000 0.881 11 E CA -1.802 54.597 56.400 -0.001 0.000 0.766 11 E CB 1.585 31.284 29.700 -0.001 0.000 1.187 11 E HN 0.419 nan 8.360 nan 0.000 0.419 12 P HA -0.021 nan 4.420 nan 0.000 0.267 12 P C -0.158 177.140 177.300 -0.002 0.000 1.200 12 P CA 0.017 63.116 63.100 -0.002 0.000 0.772 12 P CB 0.553 32.252 31.700 -0.002 0.000 0.855 13 T N -2.526 112.026 114.554 -0.003 0.000 2.922 13 T HA 0.256 4.606 4.350 0.000 0.000 0.281 13 T C 0.737 175.435 174.700 -0.004 0.000 1.005 13 T CA -0.627 61.471 62.100 -0.003 0.000 0.982 13 T CB 0.896 69.761 68.868 -0.004 0.000 1.158 13 T HN 0.117 nan 8.240 nan 0.000 0.566 14 D N -0.200 120.198 120.400 -0.004 0.000 2.182 14 D HA -0.086 4.554 4.640 0.000 0.000 0.201 14 D C 1.920 178.218 176.300 -0.005 0.000 0.986 14 D CA 1.352 55.350 54.000 -0.003 0.000 0.847 14 D CB -0.182 40.616 40.800 -0.003 0.000 0.942 14 D HN 0.692 nan 8.370 nan 0.000 0.467 15 Q N 0.585 120.381 119.800 -0.006 0.000 2.137 15 Q HA -0.084 4.257 4.340 0.000 0.000 0.198 15 Q C 1.229 177.224 176.000 -0.008 0.000 0.960 15 Q CA 1.192 56.990 55.803 -0.008 0.000 0.847 15 Q CB 0.038 28.770 28.738 -0.009 0.000 0.915 15 Q HN 0.063 nan 8.270 nan 0.000 0.448 16 D N 0.194 120.590 120.400 -0.007 0.000 2.092 16 D HA -0.168 4.472 4.640 0.000 0.000 0.193 16 D C 1.786 178.082 176.300 -0.005 0.000 0.994 16 D CA 1.205 55.201 54.000 -0.007 0.000 0.828 16 D CB -0.288 40.509 40.800 -0.005 0.000 0.963 16 D HN 0.292 nan 8.370 nan 0.000 0.450 17 L N 1.216 122.437 121.223 -0.004 0.000 2.083 17 L HA -0.158 4.182 4.340 0.000 0.000 0.209 17 L C 1.621 178.490 176.870 -0.002 0.000 1.083 17 L CA 1.828 56.667 54.840 -0.002 0.000 0.752 17 L CB -0.620 41.438 42.059 -0.001 0.000 0.899 17 L HN -0.149 nan 8.230 nan 0.000 0.433 18 D N -1.441 118.957 120.400 -0.003 0.000 2.117 18 D HA -0.170 4.470 4.640 0.000 0.000 0.197 18 D C 2.184 178.481 176.300 -0.005 0.000 0.987 18 D CA 1.394 55.392 54.000 -0.004 0.000 0.829 18 D CB 0.108 40.905 40.800 -0.006 0.000 0.961 18 D HN 0.207 nan 8.370 nan 0.000 0.460 19 V N 0.474 120.383 119.914 -0.009 0.000 2.343 19 V HA -0.194 3.926 4.120 0.000 0.000 0.247 19 V C 2.339 178.428 176.094 -0.009 0.000 1.051 19 V CA 1.153 63.445 62.300 -0.013 0.000 1.036 19 V CB -0.470 31.343 31.823 -0.018 0.000 0.654 19 V HN 0.277 nan 8.190 nan 0.000 0.451 20 L N -0.223 120.996 121.223 -0.005 0.000 1.989 20 L HA -0.152 4.188 4.340 0.000 0.000 0.211 20 L C 2.188 179.059 176.870 0.002 0.000 1.071 20 L CA 1.994 56.833 54.840 -0.002 0.000 0.749 20 L CB -0.577 41.482 42.059 -0.000 0.000 0.890 20 L HN 0.206 nan 8.230 nan 0.000 0.431 21 L N -1.036 120.189 121.223 0.004 0.000 2.141 21 L HA -0.164 4.176 4.340 0.000 0.000 0.209 21 L C 2.336 179.216 176.870 0.016 0.000 1.094 21 L CA 1.271 56.117 54.840 0.010 0.000 0.763 21 L CB -0.407 41.657 42.059 0.010 0.000 0.908 21 L HN 0.243 nan 8.230 nan 0.000 0.437 22 K N -1.330 119.077 120.400 0.012 0.000 2.354 22 K HA 0.054 4.374 4.320 0.000 0.000 0.194 22 K C 1.244 177.850 176.600 0.010 0.000 1.045 22 K CA 0.352 56.649 56.287 0.016 0.000 1.026 22 K CB 0.410 32.913 32.500 0.005 0.000 0.866 22 K HN 0.354 nan 8.250 nan 0.000 0.530 23 N N -0.238 118.463 118.700 0.000 0.000 3.502 23 N HA 0.075 4.815 4.740 0.000 0.000 0.226 23 N C 1.437 176.943 175.510 -0.007 0.000 1.133 23 N CA -0.052 52.991 53.050 -0.010 0.000 1.143 23 N CB 0.160 38.629 38.487 -0.028 0.000 1.346 23 N HN -0.166 nan 8.380 nan 0.000 0.720 24 L N 0.499 121.717 121.223 -0.008 0.000 2.093 24 L HA 0.120 4.460 4.340 0.000 0.000 0.208 24 L C 2.059 178.930 176.870 0.002 0.000 1.085 24 L CA 1.436 56.274 54.840 -0.003 0.000 0.755 24 L CB -0.312 41.745 42.059 -0.004 0.000 0.904 24 L HN 0.413 nan 8.230 nan 0.000 0.435 25 G N -1.140 107.663 108.800 0.004 0.000 3.088 25 G HA2 -0.060 3.900 3.960 0.000 0.000 0.217 25 G HA3 -0.060 3.900 3.960 0.000 0.000 0.217 25 G C 0.342 175.248 174.900 0.010 0.000 1.159 25 G CA -0.357 44.747 45.100 0.007 0.000 0.760 25 G HN 0.335 nan 8.290 nan 0.000 0.550 26 N N 0.469 119.177 118.700 0.014 0.000 2.420 26 N HA 0.281 5.021 4.740 0.000 0.000 0.249 26 N C 0.671 176.196 175.510 0.025 0.000 1.033 26 N CA -0.542 52.522 53.050 0.023 0.000 0.944 26 N CB 0.973 39.482 38.487 0.036 0.000 1.113 26 N HN -0.007 nan 8.380 nan 0.000 0.502 27 L N 4.749 125.984 121.223 0.021 0.000 2.556 27 L HA 0.171 4.511 4.340 0.000 0.000 0.226 27 L C 1.472 178.356 176.870 0.023 0.000 1.089 27 L CA 0.391 55.245 54.840 0.024 0.000 0.864 27 L CB 0.443 42.515 42.059 0.021 0.000 1.067 27 L HN 0.458 nan 8.230 nan 0.000 0.477 28 V N -0.967 118.952 119.914 0.008 0.000 2.323 28 V HA -0.221 3.899 4.120 0.000 0.000 0.244 28 V C 2.355 178.458 176.094 0.015 0.000 1.041 28 V CA 2.274 64.556 62.300 -0.029 0.000 1.025 28 V CB -0.787 30.968 31.823 -0.113 0.000 0.656 28 V HN 0.439 nan 8.190 nan 0.000 0.451 29 T N 0.690 115.307 114.554 0.104 0.000 2.701 29 T HA -0.022 4.328 4.350 0.000 0.000 0.263 29 T C -1.126 173.648 174.700 0.123 0.000 1.040 29 T CA 0.796 63.023 62.100 0.211 0.000 1.147 29 T CB -1.162 67.835 68.868 0.216 0.000 0.865 29 T HN 0.423 nan 8.240 nan 0.000 0.426 33 L N 0.871 122.152 121.223 0.096 0.000 2.156 33 L HA 0.086 4.426 4.340 0.000 0.000 0.208 33 L C 2.347 179.270 176.870 0.088 0.000 1.095 33 L CA 1.861 56.752 54.840 0.085 0.000 0.770 33 L CB -1.082 41.025 42.059 0.080 0.000 0.914 33 L HN 0.478 nan 8.230 nan 0.000 0.439 34 R N -1.464 119.093 120.500 0.095 0.000 2.090 34 R HA -0.064 4.276 4.340 0.000 0.000 0.228 34 R C 2.206 178.557 176.300 0.086 0.000 1.110 34 R CA 0.726 56.887 56.100 0.102 0.000 0.973 34 R CB -0.098 30.271 30.300 0.115 0.000 0.869 34 R HN 0.147 nan 8.270 nan 0.000 0.440 35 V N 0.900 120.859 119.914 0.075 0.000 2.358 35 V HA -0.194 3.926 4.120 0.000 0.000 0.246 35 V C 2.390 178.519 176.094 0.058 0.000 1.047 35 V CA 1.913 64.249 62.300 0.061 0.000 1.035 35 V CB -0.581 31.273 31.823 0.051 0.000 0.658 35 V HN 0.380 nan 8.190 nan 0.000 0.452 36 A N 0.074 122.931 122.820 0.062 0.000 1.940 36 A HA -0.148 4.172 4.320 0.000 0.000 0.219 36 A C 2.395 180.019 177.584 0.066 0.000 1.176 36 A CA 2.182 54.254 52.037 0.059 0.000 0.631 36 A CB -0.712 18.324 19.000 0.059 0.000 0.814 36 A HN 0.570 nan 8.150 nan 0.000 0.446 37 A N -1.146 121.719 122.820 0.075 0.000 1.930 37 A HA -0.022 4.298 4.320 0.000 0.000 0.217 37 A C 2.083 179.714 177.584 0.079 0.000 1.175 37 A CA 1.931 54.017 52.037 0.082 0.000 0.627 37 A CB -1.062 17.996 19.000 0.096 0.000 0.815 37 A HN 0.405 nan 8.150 nan 0.000 0.443 38 T N 0.080 114.677 114.554 0.072 0.000 3.163 38 T HA 0.201 4.551 4.350 0.000 0.000 0.260 38 T C 0.713 175.451 174.700 0.063 0.000 1.156 38 T CA 0.793 62.930 62.100 0.062 0.000 1.072 38 T CB -0.324 68.577 68.868 0.054 0.000 0.937 38 T HN 0.355 nan 8.240 nan 0.000 0.528 39 L N 0.013 121.280 121.223 0.073 0.000 3.358 39 L HA 0.392 4.733 4.340 0.000 0.000 0.301 39 L C 0.335 177.310 176.870 0.176 0.000 1.276 39 L CA -0.613 54.275 54.840 0.080 0.000 1.028 39 L CB 0.139 42.201 42.059 0.005 0.000 1.421 39 L HN 0.001 nan 8.230 nan 0.000 0.604 40 R N -0.828 119.766 120.500 0.158 0.000 3.591 40 R HA -0.236 4.104 4.340 0.000 0.000 0.268 40 R C 1.107 177.507 176.300 0.166 0.000 1.102 40 R CA 0.147 56.341 56.100 0.156 0.000 0.732 40 R CB -1.836 28.553 30.300 0.148 0.000 1.117 40 R HN 0.245 nan 8.270 nan 0.000 0.472 41 L N 0.242 121.540 121.223 0.124 0.000 2.013 41 L HA -0.160 4.180 4.340 0.000 0.000 0.212 41 L C 2.340 179.263 176.870 0.089 0.000 1.073 41 L CA 1.889 56.791 54.840 0.103 0.000 0.753 41 L CB -0.416 41.678 42.059 0.060 0.000 0.890 41 L HN 0.232 nan 8.230 nan 0.000 0.432 42 V N -0.390 119.563 119.914 0.065 0.000 3.186 42 V HA -0.206 3.914 4.120 0.000 0.000 0.270 42 V C 1.726 177.846 176.094 0.044 0.000 1.149 42 V CA 1.310 63.637 62.300 0.045 0.000 1.160 42 V CB -0.659 31.182 31.823 0.029 0.000 0.758 42 V HN 0.464 nan 8.190 nan 0.000 0.516 43 D N -1.277 119.156 120.400 0.055 0.000 2.735 43 D HA -0.010 4.630 4.640 0.000 0.000 0.267 43 D C 1.913 178.233 176.300 0.033 0.000 1.081 43 D CA 0.621 54.636 54.000 0.025 0.000 0.980 43 D CB -0.289 40.506 40.800 -0.009 0.000 1.129 43 D HN 0.418 nan 8.370 nan 0.000 0.459 44 H N 0.343 119.423 119.070 0.016 0.000 2.437 44 H HA -0.136 4.420 4.556 0.000 0.000 0.296 44 H C 1.922 177.258 175.328 0.013 0.000 1.121 44 H CA 0.939 56.996 56.048 0.015 0.000 1.255 44 H CB 0.162 29.933 29.762 0.016 0.000 1.366 44 H HN -0.036 nan 8.280 nan 0.000 0.512 45 L N 0.017 121.323 121.223 0.138 0.000 2.093 45 L HA -0.058 4.282 4.340 0.000 0.000 0.208 45 L C 0.817 177.718 176.870 0.052 0.000 1.085 45 L CA 1.160 56.048 54.840 0.080 0.000 0.755 45 L CB -0.279 41.814 42.059 0.057 0.000 0.904 45 L HN 0.162 nan 8.230 nan 0.000 0.435 57 D N 1.021 121.396 120.400 -0.042 0.000 3.072 57 D HA 0.205 4.845 4.640 0.000 0.000 0.250 57 D C 0.793 177.062 176.300 -0.051 0.000 1.304 57 D CA -0.132 53.840 54.000 -0.047 0.000 0.861 57 D CB -0.119 40.672 40.800 -0.016 0.000 1.062 57 D HN 0.485 nan 8.370 nan 0.000 0.481 58 R N -0.674 119.776 120.500 -0.084 0.000 2.555 58 R HA 0.132 4.472 4.340 0.000 0.000 0.272 58 R C 1.158 177.397 176.300 -0.102 0.000 1.089 58 R CA 0.213 56.287 56.100 -0.044 0.000 1.126 58 R CB 0.020 30.351 30.300 0.052 0.000 1.250 58 R HN 0.050 nan 8.270 nan 0.000 0.551 59 T N -3.652 110.814 114.554 -0.146 0.000 3.043 59 T HA 0.099 4.450 4.350 0.000 0.000 0.272 59 T C -0.056 174.600 174.700 -0.072 0.000 0.990 59 T CA -0.498 61.497 62.100 -0.174 0.000 0.897 59 T CB 0.177 68.898 68.868 -0.246 0.000 1.111 59 T HN 0.091 nan 8.240 nan 0.000 0.529 60 D N 1.763 122.138 120.400 -0.043 0.000 3.012 60 D HA -0.137 4.503 4.640 0.000 0.000 0.222 60 D C 0.068 176.359 176.300 -0.015 0.000 1.167 60 D CA 1.596 55.581 54.000 -0.024 0.000 0.854 60 D CB -2.293 38.499 40.800 -0.013 0.000 1.107 60 D HN 0.740 nan 8.370 nan 0.000 0.421 61 T N -2.104 112.442 114.554 -0.014 0.000 2.875 61 T HA 0.290 4.640 4.350 0.000 0.000 0.284 61 T C 0.203 174.936 174.700 0.055 0.000 0.995 61 T CA -0.815 61.298 62.100 0.021 0.000 1.060 61 T CB 2.207 71.081 68.868 0.010 0.000 0.967 61 T HN 0.142 nan 8.240 nan 0.000 0.476 62 H N 4.532 123.594 119.070 -0.013 0.000 3.107 62 H HA 0.079 4.635 4.556 0.000 0.000 0.301 62 H C -1.500 173.823 175.328 -0.009 0.000 0.981 62 H CA -1.746 54.297 56.048 -0.009 0.000 1.443 62 H CB 0.991 30.750 29.762 -0.006 0.000 1.479 62 H HN 0.402 nan 8.280 nan 0.000 0.564 63 P HA -0.190 nan 4.420 nan 0.000 0.215 63 P C 1.509 178.911 177.300 0.170 0.000 1.157 63 P CA 1.167 64.371 63.100 0.173 0.000 0.868 63 P CB 0.434 32.194 31.700 0.100 0.000 0.788 64 Q N -0.543 119.397 119.800 0.233 0.000 2.020 64 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 64 Q C 2.360 178.317 176.000 -0.072 0.000 0.982 64 Q CA 1.872 57.681 55.803 0.011 0.000 0.838 64 Q CB -0.759 27.930 28.738 -0.082 0.000 0.899 64 Q HN 0.141 nan 8.270 nan 0.000 0.423 65 A N 1.035 123.748 122.820 -0.178 0.000 1.927 65 A HA -0.232 4.089 4.320 0.000 0.000 0.220 65 A C 2.073 179.640 177.584 -0.028 0.000 1.185 65 A CA 1.608 53.572 52.037 -0.121 0.000 0.639 65 A CB -0.803 18.128 19.000 -0.114 0.000 0.820 65 A HN 0.368 nan 8.150 nan 0.000 0.451 66 L N 0.744 121.974 121.223 0.013 0.000 2.017 66 L HA -0.145 4.195 4.340 0.000 0.000 0.208 66 L C 2.796 179.676 176.870 0.016 0.000 1.073 66 L CA 2.860 57.711 54.840 0.019 0.000 0.745 66 L CB -0.639 41.434 42.059 0.025 0.000 0.894 66 L HN 0.507 nan 8.230 nan 0.000 0.432 67 S N -0.953 114.757 115.700 0.016 0.000 2.402 67 S HA -0.189 4.281 4.470 0.000 0.000 0.229 67 S C 2.075 176.685 174.600 0.016 0.000 1.021 67 S CA 0.935 59.144 58.200 0.016 0.000 0.974 67 S CB -0.650 62.559 63.200 0.016 0.000 0.800 67 S HN 0.471 nan 8.310 nan 0.000 0.484 68 R N 0.556 121.058 120.500 0.004 0.000 2.105 68 R HA 0.041 4.381 4.340 0.000 0.000 0.239 68 R C 2.372 178.691 176.300 0.031 0.000 1.135 68 R CA 1.382 57.485 56.100 0.006 0.000 0.967 68 R CB -0.626 29.660 30.300 -0.023 0.000 0.861 68 R HN 0.401 nan 8.270 nan 0.000 0.442 69 L N 0.385 121.625 121.223 0.028 0.000 2.027 69 L HA -0.108 4.233 4.340 0.000 0.000 0.206 69 L C 2.009 178.926 176.870 0.079 0.000 1.074 69 L CA 1.504 56.378 54.840 0.055 0.000 0.745 69 L CB -0.251 41.830 42.059 0.038 0.000 0.898 69 L HN -0.096 nan 8.230 nan 0.000 0.433 70 V N -0.079 119.864 119.914 0.049 0.000 2.407 70 V HA -0.278 3.842 4.120 0.000 0.000 0.248 70 V C 2.767 178.883 176.094 0.038 0.000 1.055 70 V CA 1.962 64.285 62.300 0.038 0.000 1.049 70 V CB -0.686 31.152 31.823 0.024 0.000 0.662 70 V HN 0.450 nan 8.190 nan 0.000 0.455 71 R N -1.159 119.369 120.500 0.046 0.000 2.081 71 R HA -0.170 4.170 4.340 0.000 0.000 0.235 71 R C 2.442 178.777 176.300 0.058 0.000 1.131 71 R CA 1.652 57.777 56.100 0.042 0.000 0.960 71 R CB -0.460 29.866 30.300 0.043 0.000 0.856 71 R HN 0.634 nan 8.270 nan 0.000 0.436 72 H N 0.730 119.799 119.070 -0.001 0.000 2.326 72 H HA -0.067 4.489 4.556 0.000 0.000 0.301 72 H C 2.040 177.369 175.328 0.002 0.000 1.081 72 H CA 1.495 57.543 56.048 0.000 0.000 1.334 72 H CB 0.096 29.859 29.762 0.001 0.000 1.385 72 H HN 0.141 nan 8.280 nan 0.000 0.504 73 L N 0.053 121.276 121.223 -0.002 0.000 2.131 73 L HA -0.158 4.182 4.340 0.000 0.000 0.210 73 L C 2.659 179.484 176.870 -0.076 0.000 1.092 73 L CA 1.389 56.201 54.840 -0.048 0.000 0.759 73 L CB -0.511 41.558 42.059 0.017 0.000 0.903 73 L HN 0.264 nan 8.230 nan 0.000 0.435 74 T N -0.578 113.945 114.554 -0.051 0.000 2.737 74 T HA -0.133 4.217 4.350 0.000 0.000 0.265 74 T C 2.000 176.657 174.700 -0.072 0.000 1.038 74 T CA 1.240 63.313 62.100 -0.045 0.000 1.144 74 T CB -0.120 68.736 68.868 -0.020 0.000 0.866 74 T HN 0.057 nan 8.240 nan 0.000 0.434 75 V N 2.131 121.984 119.914 -0.101 0.000 2.490 75 V HA -0.096 4.024 4.120 0.000 0.000 0.250 75 V C 2.439 178.449 176.094 -0.140 0.000 1.061 75 V CA 1.546 63.782 62.300 -0.108 0.000 1.064 75 V CB -0.633 31.130 31.823 -0.102 0.000 0.670 75 V HN 0.561 nan 8.190 nan 0.000 0.461 76 V N -1.687 118.101 119.914 -0.210 0.000 3.577 76 V HA 0.607 4.727 4.120 0.000 0.000 0.294 76 V C 1.280 177.313 176.094 -0.102 0.000 1.317 76 V CA 0.512 62.707 62.300 -0.174 0.000 1.169 76 V CB -0.582 31.092 31.823 -0.248 0.000 1.011 76 V HN 0.662 nan 8.190 nan 0.000 0.426 77 G N -0.227 108.524 108.800 -0.082 0.000 2.142 77 G HA2 -0.201 3.759 3.960 0.000 0.000 0.225 77 G HA3 -0.201 3.759 3.960 0.000 0.000 0.225 77 G C 0.243 175.117 174.900 -0.044 0.000 1.015 77 G CA 0.255 45.323 45.100 -0.054 0.000 0.716 77 G HN 0.672 nan 8.290 nan 0.000 0.508 78 V N -0.684 119.203 119.914 -0.045 0.000 3.048 78 V HA 0.443 4.563 4.120 0.000 0.000 0.241 78 V C 1.344 177.426 176.094 -0.019 0.000 1.129 78 V CA 1.517 63.800 62.300 -0.029 0.000 1.128 78 V CB 0.121 31.931 31.823 -0.021 0.000 0.849 78 V HN 0.392 nan 8.190 nan 0.000 0.475 79 L N -0.430 120.781 121.223 -0.021 0.000 2.257 79 L HA 0.723 5.063 4.340 0.000 0.000 0.257 79 L C -0.846 176.015 176.870 -0.014 0.000 1.033 79 L CA -0.726 54.107 54.840 -0.011 0.000 0.835 79 L CB 2.062 44.120 42.059 -0.003 0.000 1.398 79 L HN 0.122 nan 8.230 nan 0.000 0.429 80 E N -1.120 119.075 120.200 -0.008 0.000 2.459 80 E HA 0.833 5.184 4.350 0.000 0.000 0.275 80 E C -0.286 176.313 176.600 -0.002 0.000 0.987 80 E CA -0.367 56.028 56.400 -0.007 0.000 0.828 80 E CB 1.683 31.378 29.700 -0.008 0.000 1.428 80 E HN 0.834 nan 8.360 nan 0.000 0.457 81 G N -0.649 108.151 108.800 -0.001 0.000 2.464 81 G HA2 0.326 4.286 3.960 0.000 0.000 0.216 81 G HA3 0.326 4.286 3.960 0.000 0.000 0.216 81 G C 0.482 175.384 174.900 0.004 0.000 1.186 81 G CA -0.224 44.877 45.100 0.002 0.000 1.010 81 G HN 1.670 nan 8.290 nan 0.000 0.585 82 G N -1.000 107.803 108.800 0.006 0.000 2.828 82 G HA2 0.216 4.176 3.960 0.000 0.000 0.463 82 G HA3 0.216 4.176 3.960 0.000 0.000 0.463 82 G C 0.139 175.043 174.900 0.006 0.000 1.394 82 G CA 0.796 45.901 45.100 0.007 0.000 0.862 82 G HN 1.408 nan 8.290 nan 0.000 0.540 88 P HA 0.178 nan 4.420 nan 0.000 0.282 88 P C -0.846 176.458 177.300 0.007 0.000 1.249 88 P CA -0.365 62.739 63.100 0.007 0.000 0.806 88 P CB 0.797 32.502 31.700 0.008 0.000 0.984 89 L N 3.356 124.585 121.223 0.010 0.000 2.515 89 L HA 0.252 4.593 4.340 0.000 0.000 0.281 89 L C 0.357 177.234 176.870 0.012 0.000 1.131 89 L CA 0.477 55.323 54.840 0.010 0.000 0.905 89 L CB -1.015 41.052 42.059 0.013 0.000 1.246 89 L HN 0.396 nan 8.230 nan 0.000 0.463 90 R N 5.699 126.204 120.500 0.009 0.000 2.628 90 R HA 0.576 4.916 4.340 0.000 0.000 0.288 90 R C -2.633 173.670 176.300 0.005 0.000 0.980 90 R CA -2.002 54.103 56.100 0.009 0.000 0.891 90 R CB 1.886 32.190 30.300 0.007 0.000 1.188 90 R HN 0.324 nan 8.270 nan 0.000 0.450 91 P HA -0.103 nan 4.420 nan 0.000 0.268 91 P C -0.317 176.979 177.300 -0.008 0.000 1.189 91 P CA 0.303 63.403 63.100 -0.001 0.000 0.771 91 P CB 0.570 32.270 31.700 0.000 0.000 0.822 92 T N -0.788 113.757 114.554 -0.014 0.000 2.852 92 T HA 0.286 4.636 4.350 0.000 0.000 0.281 92 T C 1.336 176.022 174.700 -0.024 0.000 0.993 92 T CA -0.467 61.622 62.100 -0.017 0.000 0.933 92 T CB 0.693 69.548 68.868 -0.021 0.000 1.187 92 T HN 0.279 nan 8.240 nan 0.000 0.559 93 R N -0.770 119.716 120.500 -0.023 0.000 2.094 93 R HA -0.087 4.253 4.340 0.000 0.000 0.239 93 R C 2.331 178.602 176.300 -0.049 0.000 1.137 93 R CA 1.446 57.528 56.100 -0.030 0.000 0.943 93 R CB -0.675 29.613 30.300 -0.021 0.000 0.850 93 R HN 0.588 nan 8.270 nan 0.000 0.433 94 L N 1.014 122.211 121.223 -0.044 0.000 2.043 94 L HA -0.049 4.291 4.340 0.000 0.000 0.212 94 L C 1.153 177.988 176.870 -0.059 0.000 1.075 94 L CA 2.113 56.922 54.840 -0.052 0.000 0.752 94 L CB -1.831 40.205 42.059 -0.038 0.000 0.891 94 L HN 0.342 nan 8.230 nan 0.000 0.432 98 L N 0.891 122.106 121.223 -0.015 0.000 2.653 98 L HA 0.374 4.714 4.340 0.000 0.000 0.231 98 L C 1.027 177.925 176.870 0.047 0.000 1.153 98 L CA 0.008 54.871 54.840 0.040 0.000 0.933 98 L CB 0.042 42.127 42.059 0.044 0.000 1.175 98 L HN 0.154 nan 8.230 nan 0.000 0.473 99 A N 0.533 123.374 122.820 0.036 0.000 2.454 99 A HA 0.026 4.346 4.320 0.000 0.000 0.260 99 A C 1.132 178.768 177.584 0.087 0.000 1.106 99 A CA -0.188 51.882 52.037 0.055 0.000 0.780 99 A CB 0.434 19.465 19.000 0.051 0.000 1.044 99 A HN 0.309 nan 8.150 nan 0.000 0.498 100 D N 3.313 123.752 120.400 0.065 0.000 2.126 100 D HA -0.175 4.465 4.640 0.000 0.000 0.190 100 D C 1.771 178.117 176.300 0.076 0.000 1.001 100 D CA 2.525 56.562 54.000 0.062 0.000 0.841 100 D CB -0.242 40.578 40.800 0.032 0.000 0.949 100 D HN 0.572 nan 8.370 nan 0.000 0.446 101 G N -1.335 107.509 108.800 0.073 0.000 2.848 101 G HA2 -0.123 3.837 3.960 0.000 0.000 0.208 101 G HA3 -0.123 3.837 3.960 0.000 0.000 0.208 101 G C 0.612 175.566 174.900 0.090 0.000 1.152 101 G CA -0.167 44.972 45.100 0.065 0.000 0.789 101 G HN 0.440 nan 8.290 nan 0.000 0.531 102 H N 1.609 120.698 119.070 0.032 0.000 2.928 102 H HA 0.057 4.613 4.556 0.000 0.000 0.338 102 H C -1.320 174.033 175.328 0.043 0.000 1.047 102 H CA -0.958 55.111 56.048 0.035 0.000 1.435 102 H CB 2.000 31.785 29.762 0.038 0.000 1.428 102 H HN 0.040 nan 8.280 nan 0.000 0.590 103 P HA 0.008 nan 4.420 nan 0.000 0.247 103 P C 0.472 177.690 177.300 -0.137 0.000 1.225 103 P CA 0.514 63.480 63.100 -0.224 0.000 0.768 103 P CB 0.092 31.651 31.700 -0.234 0.000 1.020 104 A N -0.602 122.175 122.820 -0.072 0.000 2.115 104 A HA 0.040 4.360 4.320 0.000 0.000 0.211 104 A C 1.189 178.893 177.584 0.200 0.000 1.169 104 A CA 0.307 52.404 52.037 0.099 0.000 0.787 104 A CB -0.392 18.730 19.000 0.203 0.000 0.858 104 A HN -0.017 nan 8.150 nan 0.000 0.474 105 Q N -0.904 119.037 119.800 0.236 0.000 2.468 105 Q HA -0.244 4.096 4.340 0.000 0.000 0.256 105 Q C 0.705 176.946 176.000 0.402 0.000 0.984 105 Q CA 1.066 57.034 55.803 0.275 0.000 1.110 105 Q CB -1.826 27.059 28.738 0.245 0.000 1.527 105 Q HN 0.749 nan 8.270 nan 0.000 0.535 106 Q N -0.070 119.917 119.800 0.312 0.000 2.297 106 Q HA -0.090 4.250 4.340 0.000 0.000 0.208 106 Q C 1.891 178.047 176.000 0.261 0.000 0.981 106 Q CA 1.162 57.132 55.803 0.278 0.000 0.876 106 Q CB -0.138 28.683 28.738 0.137 0.000 0.921 106 Q HN 0.482 nan 8.270 nan 0.000 0.446 107 R N 0.045 120.664 120.500 0.199 0.000 2.081 107 R HA -0.088 4.252 4.340 0.000 0.000 0.235 107 R C 1.905 178.290 176.300 0.141 0.000 1.131 107 R CA 1.305 57.493 56.100 0.146 0.000 0.960 107 R CB -0.013 30.352 30.300 0.109 0.000 0.856 107 R HN 0.208 nan 8.270 nan 0.000 0.436 108 A N -0.403 122.498 122.820 0.135 0.000 1.930 108 A HA -0.120 4.200 4.320 0.000 0.000 0.215 108 A C 1.757 179.365 177.584 0.040 0.000 1.176 108 A CA 0.688 52.751 52.037 0.043 0.000 0.632 108 A CB -0.778 18.195 19.000 -0.045 0.000 0.819 108 A HN 0.488 nan 8.150 nan 0.000 0.445 109 W N 0.067 121.400 121.300 0.055 0.000 2.342 109 W HA -0.080 4.581 4.660 0.000 0.000 0.297 109 W C 1.863 178.438 176.519 0.092 0.000 1.213 109 W CA 1.305 58.693 57.345 0.071 0.000 1.251 109 W CB -0.292 29.209 29.460 0.069 0.000 1.136 109 W HN 0.219 nan 8.180 nan 0.000 0.526 110 L N -0.791 120.614 121.223 0.303 0.000 2.375 110 L HA 0.017 4.357 4.340 0.000 0.000 0.215 110 L C 0.900 177.865 176.870 0.158 0.000 1.108 110 L CA 0.125 55.096 54.840 0.219 0.000 0.830 110 L CB -0.636 41.531 42.059 0.181 0.000 0.959 110 L HN -0.243 nan 8.230 nan 0.000 0.457 111 D N 0.839 121.314 120.400 0.124 0.000 2.487 111 D HA -0.050 4.591 4.640 0.000 0.000 0.243 111 D C 0.961 177.307 176.300 0.076 0.000 1.154 111 D CA 0.450 54.499 54.000 0.082 0.000 0.876 111 D CB 1.272 42.101 40.800 0.048 0.000 1.161 111 D HN 0.070 nan 8.370 nan 0.000 0.478 112 L N 3.798 125.063 121.223 0.069 0.000 2.478 112 L HA -0.040 4.301 4.340 0.000 0.000 0.223 112 L C 1.895 178.769 176.870 0.007 0.000 1.140 112 L CA 0.212 55.097 54.840 0.076 0.000 0.842 112 L CB -0.144 41.964 42.059 0.082 0.000 0.953 112 L HN 0.364 nan 8.230 nan 0.000 0.452 113 N N 0.066 118.747 118.700 -0.033 0.000 2.395 113 N HA 0.014 4.754 4.740 0.000 0.000 0.175 113 N C 1.126 176.569 175.510 -0.111 0.000 1.029 113 N CA 0.537 53.519 53.050 -0.113 0.000 0.897 113 N CB -0.003 38.434 38.487 -0.084 0.000 0.991 113 N HN 0.217 nan 8.380 nan 0.000 0.441 114 G N 0.009 108.784 108.800 -0.043 0.000 2.630 114 G HA2 0.257 4.218 3.960 0.000 0.000 0.236 114 G HA3 0.257 4.218 3.960 0.000 0.000 0.236 114 G C 1.013 175.925 174.900 0.020 0.000 1.248 114 G CA 0.252 45.336 45.100 -0.027 0.000 0.844 114 G HN 0.226 nan 8.290 nan 0.000 0.588 115 A N 0.900 123.749 122.820 0.049 0.000 1.970 115 A HA 0.116 4.436 4.320 0.000 0.000 0.216 115 A C 2.440 180.132 177.584 0.179 0.000 1.170 115 A CA 1.503 53.614 52.037 0.122 0.000 0.645 115 A CB -0.221 18.862 19.000 0.139 0.000 0.816 115 A HN 0.513 nan 8.150 nan 0.000 0.447 116 V N -1.011 119.001 119.914 0.163 0.000 2.283 116 V HA -0.156 3.964 4.120 0.000 0.000 0.243 116 V C 2.734 178.966 176.094 0.230 0.000 1.039 116 V CA 2.150 64.573 62.300 0.205 0.000 1.016 116 V CB -0.711 31.273 31.823 0.267 0.000 0.650 116 V HN 0.575 nan 8.190 nan 0.000 0.449 117 S N -1.374 114.466 115.700 0.233 0.000 2.370 117 S HA -0.288 4.182 4.470 0.000 0.000 0.226 117 S C 2.047 176.796 174.600 0.250 0.000 1.033 117 S CA 1.939 60.286 58.200 0.244 0.000 1.011 117 S CB -0.536 62.784 63.200 0.199 0.000 0.852 117 S HN 0.755 nan 8.310 nan 0.000 0.457 118 H N 0.228 119.347 119.070 0.081 0.000 2.319 118 H HA -0.130 4.426 4.556 0.000 0.000 0.297 118 H C 2.239 177.642 175.328 0.124 0.000 1.097 118 H CA 1.428 57.498 56.048 0.037 0.000 1.285 118 H CB -0.288 29.407 29.762 -0.112 0.000 1.368 118 H HN 0.504 nan 8.280 nan 0.000 0.495 119 A N 0.841 123.684 122.820 0.038 0.000 1.898 119 A HA -0.177 4.143 4.320 0.000 0.000 0.216 119 A C 2.070 179.658 177.584 0.008 0.000 1.181 119 A CA 1.642 53.551 52.037 -0.213 0.000 0.620 119 A CB -0.407 17.873 19.000 -1.199 0.000 0.819 119 A HN 0.472 nan 8.150 nan 0.000 0.442 120 D N 0.334 120.910 120.400 0.294 0.000 2.172 120 D HA -0.179 4.461 4.640 0.000 0.000 0.196 120 D C 1.847 178.447 176.300 0.500 0.000 0.999 120 D CA 1.224 55.600 54.000 0.627 0.000 0.856 120 D CB -0.362 40.721 40.800 0.472 0.000 0.934 120 D HN 0.500 nan 8.370 nan 0.000 0.453 121 L N 0.378 121.780 121.223 0.300 0.000 2.187 121 L HA -0.142 4.198 4.340 0.000 0.000 0.213 121 L C 2.403 179.338 176.870 0.108 0.000 1.100 121 L CA 0.912 55.872 54.840 0.200 0.000 0.765 121 L CB -0.559 41.602 42.059 0.171 0.000 0.904 121 L HN -0.027 nan 8.230 nan 0.000 0.437 122 A N -0.322 122.534 122.820 0.059 0.000 2.178 122 A HA -0.167 4.153 4.320 0.000 0.000 0.218 122 A C 1.929 179.496 177.584 -0.028 0.000 1.157 122 A CA 0.937 52.935 52.037 -0.064 0.000 0.689 122 A CB -0.814 18.140 19.000 -0.077 0.000 0.787 122 A HN 0.347 nan 8.150 nan 0.000 0.465 123 F N 0.918 120.938 119.950 0.117 0.000 2.373 123 F HA -0.177 4.351 4.527 0.000 0.000 0.300 123 F C 2.709 178.528 175.800 0.032 0.000 1.080 123 F CA 1.690 59.736 58.000 0.078 0.000 1.417 123 F CB -0.312 38.742 39.000 0.089 0.000 1.070 123 F HN 0.402 nan 8.300 nan 0.000 0.546 124 T N -3.554 111.094 114.554 0.155 0.000 3.035 124 T HA -0.029 4.321 4.350 0.000 0.000 0.268 124 T C 1.936 176.654 174.700 0.030 0.000 1.109 124 T CA 0.918 63.066 62.100 0.080 0.000 1.119 124 T CB -0.574 68.317 68.868 0.039 0.000 0.900 124 T HN 0.271 nan 8.240 nan 0.000 0.503 125 G N 0.762 109.560 108.800 -0.003 0.000 3.383 125 G HA2 0.325 4.286 3.960 0.000 0.000 0.251 125 G HA3 0.325 4.286 3.960 0.000 0.000 0.251 125 G C 0.983 175.873 174.900 -0.017 0.000 1.203 125 G CA -0.288 44.794 45.100 -0.029 0.000 0.852 125 G HN 0.416 nan 8.290 nan 0.000 0.531 126 L N 0.098 121.339 121.223 0.030 0.000 2.201 126 L HA 0.107 4.447 4.340 0.000 0.000 0.212 126 L C 2.346 179.233 176.870 0.029 0.000 1.105 126 L CA 1.082 55.950 54.840 0.047 0.000 0.775 126 L CB -0.221 41.934 42.059 0.160 0.000 0.913 126 L HN 0.237 nan 8.230 nan 0.000 0.440 127 L N -0.268 120.969 121.223 0.023 0.000 2.017 127 L HA -0.228 4.112 4.340 0.000 0.000 0.208 127 L C 2.130 179.003 176.870 0.004 0.000 1.073 127 L CA 2.346 57.195 54.840 0.015 0.000 0.745 127 L CB -0.870 41.196 42.059 0.011 0.000 0.894 127 L HN 0.492 nan 8.230 nan 0.000 0.432 128 D N -1.575 118.822 120.400 -0.005 0.000 2.144 128 D HA -0.158 4.482 4.640 0.000 0.000 0.200 128 D C 2.124 178.417 176.300 -0.011 0.000 0.978 128 D CA 1.194 55.188 54.000 -0.010 0.000 0.833 128 D CB 0.083 40.873 40.800 -0.017 0.000 0.961 128 D HN 0.178 nan 8.370 nan 0.000 0.470 129 V N 0.008 119.910 119.914 -0.019 0.000 2.282 129 V HA -0.251 3.869 4.120 0.000 0.000 0.249 129 V C 2.471 178.559 176.094 -0.011 0.000 1.057 129 V CA 1.545 63.829 62.300 -0.026 0.000 1.032 129 V CB -0.415 31.377 31.823 -0.052 0.000 0.645 129 V HN 0.213 nan 8.190 nan 0.000 0.447 130 V N -0.669 119.244 119.914 -0.000 0.000 2.719 130 V HA -0.103 4.017 4.120 0.000 0.000 0.252 130 V C 2.499 178.596 176.094 0.005 0.000 1.065 130 V CA 1.321 63.625 62.300 0.006 0.000 1.086 130 V CB -0.754 31.078 31.823 0.014 0.000 0.700 130 V HN 0.435 nan 8.190 nan 0.000 0.467 131 R N 0.671 121.173 120.500 0.003 0.000 2.120 131 R HA -0.111 4.229 4.340 0.000 0.000 0.234 131 R C 2.147 178.449 176.300 0.003 0.000 1.123 131 R CA 1.969 58.071 56.100 0.003 0.000 0.975 131 R CB -0.244 30.057 30.300 0.001 0.000 0.866 131 R HN 0.726 nan 8.270 nan 0.000 0.446 132 T N -6.300 108.255 114.554 0.001 0.000 2.993 132 T HA 0.224 4.574 4.350 0.000 0.000 0.260 132 T C 1.286 175.989 174.700 0.005 0.000 0.939 132 T CA 0.588 62.689 62.100 0.003 0.000 0.886 132 T CB 1.176 70.045 68.868 0.001 0.000 1.209 132 T HN 0.287 nan 8.240 nan 0.000 0.518 133 G N 2.200 111.001 108.800 0.002 0.000 2.205 133 G HA2 -0.225 3.736 3.960 0.000 0.000 0.261 133 G HA3 -0.225 3.736 3.960 0.000 0.000 0.261 133 G C 0.167 175.067 174.900 0.001 0.000 0.980 133 G CA -0.083 45.019 45.100 0.003 0.000 0.632 133 G HN 0.656 nan 8.290 nan 0.000 0.533 134 R N 1.127 121.626 120.500 -0.001 0.000 2.459 134 R HA 0.460 4.800 4.340 0.000 0.000 0.281 134 R C -2.162 174.130 176.300 -0.013 0.000 1.050 134 R CA -2.067 54.033 56.100 0.002 0.000 1.055 134 R CB 0.336 30.639 30.300 0.005 0.000 1.045 134 R HN 0.242 nan 8.270 nan 0.000 0.495 135 P HA 0.079 nan 4.420 nan 0.000 0.272 135 P C -0.341 176.957 177.300 -0.003 0.000 1.230 135 P CA -0.068 63.025 63.100 -0.011 0.000 0.788 135 P CB 0.675 32.381 31.700 0.011 0.000 0.949 136 A N 0.979 123.793 122.820 -0.010 0.000 2.288 136 A HA 0.005 4.325 4.320 0.000 0.000 0.216 136 A C 1.849 179.418 177.584 -0.025 0.000 1.199 136 A CA 0.074 52.087 52.037 -0.040 0.000 0.891 136 A CB -1.077 17.867 19.000 -0.094 0.000 0.923 136 A HN 0.552 nan 8.150 nan 0.000 0.500 137 Y N 0.910 121.178 120.300 -0.054 0.000 2.145 137 Y HA -0.135 4.415 4.550 0.000 0.000 0.286 137 Y C 2.563 178.453 175.900 -0.017 0.000 1.145 137 Y CA 1.614 59.701 58.100 -0.021 0.000 1.148 137 Y CB -0.227 38.246 38.460 0.020 0.000 0.981 137 Y HN 0.329 nan 8.280 nan 0.000 0.507 138 A N 0.054 122.957 122.820 0.138 0.000 1.883 138 A HA -0.149 4.171 4.320 0.000 0.000 0.217 138 A C 2.474 180.024 177.584 -0.058 0.000 1.186 138 A CA 1.770 53.846 52.037 0.065 0.000 0.624 138 A CB -1.768 17.280 19.000 0.080 0.000 0.822 138 A HN 0.586 nan 8.150 nan 0.000 0.444 139 G N -1.128 107.623 108.800 -0.083 0.000 2.475 139 G HA2 -0.266 3.694 3.960 0.000 0.000 0.220 139 G HA3 -0.266 3.694 3.960 0.000 0.000 0.220 139 G C 1.719 176.490 174.900 -0.215 0.000 1.125 139 G CA 1.371 46.399 45.100 -0.120 0.000 0.755 139 G HN 0.424 nan 8.290 nan 0.000 0.565 140 R N -0.928 119.343 120.500 -0.383 0.000 2.156 140 R HA 0.236 4.576 4.340 0.000 0.000 0.207 140 R C 1.334 177.214 176.300 -0.701 0.000 1.040 140 R CA 0.594 56.304 56.100 -0.651 0.000 1.013 140 R CB -0.280 29.401 30.300 -1.032 0.000 0.931 140 R HN 0.535 nan 8.270 nan 0.000 0.465 141 Y N -2.498 117.614 120.300 -0.313 0.000 2.471 141 Y HA 0.296 4.847 4.550 0.000 0.000 0.249 141 Y C 1.368 177.188 175.900 -0.133 0.000 1.116 141 Y CA -0.019 57.913 58.100 -0.280 0.000 1.240 141 Y CB 1.532 39.664 38.460 -0.547 0.000 1.251 141 Y HN 0.219 nan 8.280 nan 0.000 0.527 142 G N 1.088 109.900 108.800 0.020 0.000 2.956 142 G HA2 -0.238 3.722 3.960 0.000 0.000 0.210 142 G HA3 -0.238 3.722 3.960 0.000 0.000 0.210 142 G C 0.247 175.186 174.900 0.065 0.000 1.316 142 G CA -0.379 44.743 45.100 0.037 0.000 0.819 142 G HN 0.216 nan 8.290 nan 0.000 0.544 143 R N 2.055 122.620 120.500 0.109 0.000 2.604 143 R HA 0.590 4.930 4.340 0.000 0.000 0.287 143 R C -2.439 173.995 176.300 0.223 0.000 0.970 143 R CA -1.695 54.481 56.100 0.126 0.000 0.946 143 R CB 1.681 32.037 30.300 0.093 0.000 1.127 143 R HN 0.254 nan 8.270 nan 0.000 0.473 144 P HA -0.058 nan 4.420 nan 0.000 0.272 144 P C 0.175 177.488 177.300 0.022 0.000 1.240 144 P CA -0.222 62.977 63.100 0.164 0.000 0.791 144 P CB 0.501 32.270 31.700 0.115 0.000 0.978 145 F N 0.815 120.499 119.950 -0.444 0.000 2.043 145 F HA -0.199 4.328 4.527 0.000 0.000 0.297 145 F C 2.068 177.489 175.800 -0.631 0.000 1.118 145 F CA 1.753 59.172 58.000 -0.969 0.000 1.202 145 F CB -0.973 37.232 39.000 -1.325 0.000 0.965 145 F HN 0.295 nan 8.300 nan 0.000 0.482 146 W N 0.563 121.742 121.300 -0.202 0.000 2.381 146 W HA -0.108 4.553 4.660 0.000 0.000 0.301 146 W C 2.473 178.861 176.519 -0.218 0.000 1.205 146 W CA 1.081 58.282 57.345 -0.240 0.000 1.285 146 W CB -0.642 28.798 29.460 -0.033 0.000 1.133 146 W HN 0.033 nan 8.180 nan 0.000 0.521 147 E N 0.099 120.355 120.200 0.092 0.000 2.160 147 E HA -0.249 4.101 4.350 0.000 0.000 0.195 147 E C 1.468 178.046 176.600 -0.036 0.000 0.991 147 E CA 1.563 57.987 56.400 0.040 0.000 0.810 147 E CB -0.262 29.476 29.700 0.065 0.000 0.742 147 E HN 0.198 nan 8.360 nan 0.000 0.466 148 D N 0.390 120.725 120.400 -0.108 0.000 2.149 148 D HA -0.078 4.562 4.640 0.000 0.000 0.201 148 D C 1.889 178.065 176.300 -0.207 0.000 0.972 148 D CA 0.623 54.554 54.000 -0.114 0.000 0.835 148 D CB 0.062 40.844 40.800 -0.029 0.000 0.966 148 D HN 0.069 nan 8.370 nan 0.000 0.476 149 L N 0.289 121.295 121.223 -0.361 0.000 2.093 149 L HA -0.118 4.222 4.340 0.000 0.000 0.208 149 L C 2.395 179.179 176.870 -0.143 0.000 1.085 149 L CA 1.482 56.129 54.840 -0.321 0.000 0.755 149 L CB -0.673 41.122 42.059 -0.440 0.000 0.904 149 L HN 0.163 nan 8.230 nan 0.000 0.435 150 S N -0.450 115.197 115.700 -0.088 0.000 2.461 150 S HA 0.018 4.488 4.470 0.000 0.000 0.228 150 S C 1.848 176.422 174.600 -0.042 0.000 1.005 150 S CA 0.573 58.746 58.200 -0.045 0.000 0.942 150 S CB 0.121 63.310 63.200 -0.019 0.000 0.776 150 S HN 0.307 nan 8.310 nan 0.000 0.514 151 A N 0.439 123.231 122.820 -0.047 0.000 2.195 151 A HA 0.278 4.599 4.320 0.000 0.000 0.210 151 A C 0.691 178.248 177.584 -0.044 0.000 1.165 151 A CA 0.325 52.341 52.037 -0.035 0.000 0.806 151 A CB 0.017 19.004 19.000 -0.022 0.000 0.847 151 A HN 0.481 nan 8.150 nan 0.000 0.482 152 D N -0.179 120.182 120.400 -0.064 0.000 2.471 152 D HA 0.381 5.021 4.640 0.000 0.000 0.245 152 D C 0.948 177.203 176.300 -0.076 0.000 1.116 152 D CA -0.278 53.679 54.000 -0.072 0.000 0.853 152 D CB 1.737 42.483 40.800 -0.090 0.000 1.123 152 D HN -0.095 nan 8.370 nan 0.000 0.540 153 V N 3.616 123.494 119.914 -0.060 0.000 2.407 153 V HA -0.173 3.947 4.120 0.000 0.000 0.248 153 V C 2.466 178.526 176.094 -0.056 0.000 1.055 153 V CA 2.046 64.314 62.300 -0.052 0.000 1.049 153 V CB -0.768 31.030 31.823 -0.042 0.000 0.662 153 V HN 0.650 nan 8.190 nan 0.000 0.455 154 A N -0.077 122.702 122.820 -0.068 0.000 1.930 154 A HA -0.060 4.260 4.320 0.000 0.000 0.217 154 A C 2.212 179.749 177.584 -0.078 0.000 1.175 154 A CA 1.488 53.481 52.037 -0.072 0.000 0.627 154 A CB -0.443 18.506 19.000 -0.085 0.000 0.815 154 A HN 0.508 nan 8.150 nan 0.000 0.443 155 L N -0.920 120.243 121.223 -0.101 0.000 2.109 155 L HA -0.115 4.225 4.340 0.000 0.000 0.207 155 L C 3.060 179.897 176.870 -0.055 0.000 1.086 155 L CA 0.829 55.608 54.840 -0.101 0.000 0.760 155 L CB -0.547 41.419 42.059 -0.155 0.000 0.910 155 L HN 0.423 nan 8.230 nan 0.000 0.437 156 A N -0.068 122.716 122.820 -0.060 0.000 1.877 156 A HA -0.240 4.080 4.320 0.000 0.000 0.216 156 A C 2.021 179.638 177.584 0.056 0.000 1.186 156 A CA 1.936 53.973 52.037 0.001 0.000 0.620 156 A CB -0.540 18.448 19.000 -0.020 0.000 0.822 156 A HN 0.375 nan 8.150 nan 0.000 0.443 157 D N -0.051 120.352 120.400 0.005 0.000 2.117 157 D HA -0.133 4.507 4.640 0.000 0.000 0.198 157 D C 2.495 178.787 176.300 -0.013 0.000 0.982 157 D CA 1.878 55.875 54.000 -0.006 0.000 0.828 157 D CB -0.120 40.663 40.800 -0.027 0.000 0.967 157 D HN 0.604 nan 8.370 nan 0.000 0.464 158 S N 0.659 116.349 115.700 -0.017 0.000 2.368 158 S HA -0.184 4.287 4.470 0.000 0.000 0.224 158 S C 2.025 176.597 174.600 -0.048 0.000 1.029 158 S CA 0.450 58.622 58.200 -0.047 0.000 0.988 158 S CB -0.920 62.249 63.200 -0.051 0.000 0.838 158 S HN 0.256 nan 8.310 nan 0.000 0.462 159 F N 2.902 122.785 119.950 -0.112 0.000 2.161 159 F HA -0.081 4.446 4.527 0.000 0.000 0.300 159 F C 1.912 177.660 175.800 -0.088 0.000 1.089 159 F CA 1.751 59.696 58.000 -0.092 0.000 1.282 159 F CB -0.767 38.233 39.000 0.000 0.000 1.010 159 F HN 0.251 nan 8.300 nan 0.000 0.485 160 D N -0.163 120.230 120.400 -0.011 0.000 2.097 160 D HA -0.154 4.486 4.640 0.000 0.000 0.195 160 D C 2.287 178.482 176.300 -0.176 0.000 0.989 160 D CA 1.428 55.379 54.000 -0.081 0.000 0.827 160 D CB -0.242 40.562 40.800 0.007 0.000 0.966 160 D HN 0.307 nan 8.370 nan 0.000 0.456 161 A N -0.155 122.573 122.820 -0.153 0.000 1.972 161 A HA 0.003 4.323 4.320 0.000 0.000 0.219 161 A C 1.206 178.650 177.584 -0.234 0.000 1.169 161 A CA 0.681 52.624 52.037 -0.157 0.000 0.635 161 A CB -0.526 18.400 19.000 -0.123 0.000 0.810 161 A HN 0.244 nan 8.150 nan 0.000 0.446 173 A N 2.779 125.745 122.820 0.244 0.000 1.900 173 A HA -0.236 4.084 4.320 0.000 0.000 0.225 173 A C -0.135 177.635 177.584 0.309 0.000 1.414 173 A CA 2.850 55.078 52.037 0.318 0.000 0.702 173 A CB -1.656 17.694 19.000 0.582 0.000 0.845 173 A HN 0.235 nan 8.150 nan 0.000 0.478 174 P HA 0.093 nan 4.420 nan 0.000 0.215 174 P C 1.637 179.255 177.300 0.530 0.000 1.157 174 P CA 1.746 65.064 63.100 0.363 0.000 0.869 174 P CB -0.356 31.537 31.700 0.323 0.000 0.781 175 A N 0.123 123.206 122.820 0.438 0.000 1.986 175 A HA -0.247 4.073 4.320 0.000 0.000 0.220 175 A C 2.070 179.958 177.584 0.506 0.000 1.171 175 A CA 2.521 54.840 52.037 0.471 0.000 0.640 175 A CB -1.669 17.440 19.000 0.182 0.000 0.811 175 A HN 0.254 nan 8.150 nan 0.000 0.451 176 D N -1.652 118.951 120.400 0.339 0.000 2.324 176 D HA 0.274 4.914 4.640 0.000 0.000 0.212 176 D C 1.846 178.263 176.300 0.196 0.000 0.984 176 D CA 0.875 55.017 54.000 0.235 0.000 0.885 176 D CB -0.110 40.789 40.800 0.166 0.000 0.996 176 D HN 0.268 nan 8.370 nan 0.000 0.505 177 A N -0.907 122.040 122.820 0.213 0.000 2.168 177 A HA 0.053 4.373 4.320 0.000 0.000 0.215 177 A C 0.146 177.796 177.584 0.110 0.000 1.152 177 A CA 0.518 52.644 52.037 0.147 0.000 0.716 177 A CB -0.323 18.773 19.000 0.160 0.000 0.794 177 A HN 0.391 nan 8.150 nan 0.000 0.465 178 Y N -0.473 119.746 120.300 -0.134 0.000 2.425 178 Y HA 0.453 5.003 4.550 0.000 0.000 0.344 178 Y C -0.955 174.541 175.900 -0.673 0.000 0.969 178 Y CA -2.069 55.739 58.100 -0.487 0.000 1.052 178 Y CB 1.366 39.343 38.460 -0.805 0.000 1.215 178 Y HN 0.117 nan 8.280 nan 0.000 0.451 179 D N 4.331 124.170 120.400 -0.935 0.000 2.416 179 D HA 0.010 4.650 4.640 0.000 0.000 0.240 179 D C -0.076 175.890 176.300 -0.557 0.000 1.250 179 D CA 0.203 53.846 54.000 -0.594 0.000 0.967 179 D CB 0.096 40.634 40.800 -0.437 0.000 1.059 179 D HN 0.624 nan 8.370 nan 0.000 0.512 180 W N 1.952 123.265 121.300 0.022 0.000 2.678 180 W HA -0.083 4.577 4.660 0.000 0.000 0.256 180 W C 2.600 179.239 176.519 0.199 0.000 1.280 180 W CA 0.379 57.821 57.345 0.161 0.000 1.345 180 W CB -0.215 29.380 29.460 0.224 0.000 1.118 180 W HN 0.432 nan 8.180 nan 0.000 0.629 181 S N 0.976 116.801 115.700 0.208 0.000 2.392 181 S HA -0.235 4.235 4.470 0.000 0.000 0.232 181 S C 1.699 176.353 174.600 0.089 0.000 1.041 181 S CA 1.373 59.594 58.200 0.035 0.000 1.026 181 S CB -0.730 62.440 63.200 -0.051 0.000 0.845 181 S HN 0.141 nan 8.310 nan 0.000 0.465 182 A N 0.816 123.679 122.820 0.072 0.000 2.476 182 A HA 0.643 4.963 4.320 0.000 0.000 0.263 182 A C 0.068 177.741 177.584 0.149 0.000 1.342 182 A CA -0.425 51.654 52.037 0.069 0.000 0.926 182 A CB -0.181 18.810 19.000 -0.015 0.000 1.019 182 A HN 0.371 nan 8.150 nan 0.000 0.515 183 V N -0.154 119.931 119.914 0.284 0.000 2.841 183 V HA 0.441 4.561 4.120 0.000 0.000 0.310 183 V C 0.276 176.537 176.094 0.278 0.000 1.090 183 V CA -0.871 61.618 62.300 0.316 0.000 0.930 183 V CB 2.002 34.125 31.823 0.501 0.000 1.014 183 V HN 0.504 nan 8.190 nan 0.000 0.425 184 R N 0.827 121.436 120.500 0.181 0.000 2.342 184 R HA 0.289 4.630 4.340 0.000 0.000 0.204 184 R C 0.014 176.357 176.300 0.070 0.000 0.882 184 R CA 0.040 56.188 56.100 0.080 0.000 1.041 184 R CB 0.374 30.736 30.300 0.102 0.000 1.188 184 R HN 0.751 nan 8.270 nan 0.000 0.598 185 H N 0.425 119.504 119.070 0.015 0.000 3.096 185 H HA 0.446 5.003 4.556 0.000 0.000 0.335 185 H C -1.641 173.702 175.328 0.026 0.000 0.990 185 H CA -0.964 55.078 56.048 -0.010 0.000 1.393 185 H CB 1.280 31.039 29.762 -0.005 0.000 1.742 185 H HN -0.252 nan 8.280 nan 0.000 0.501 186 V N 6.591 126.677 119.914 0.287 0.000 2.448 186 V HA 0.292 4.412 4.120 0.000 0.000 0.295 186 V C -0.116 176.005 176.094 0.045 0.000 1.025 186 V CA -0.806 61.554 62.300 0.100 0.000 0.859 186 V CB 1.879 33.712 31.823 0.016 0.000 0.988 186 V HN 0.635 nan 8.190 nan 0.000 0.431 187 L N 4.182 125.378 121.223 -0.045 0.000 2.294 187 L HA 0.580 4.920 4.340 0.000 0.000 0.283 187 L C -0.973 175.898 176.870 0.003 0.000 1.015 187 L CA -0.271 54.541 54.840 -0.047 0.000 0.831 187 L CB 1.563 43.545 42.059 -0.127 0.000 1.217 187 L HN 0.661 nan 8.230 nan 0.000 0.420 188 D N 4.219 124.640 120.400 0.035 0.000 2.359 188 D HA 0.251 4.891 4.640 0.000 0.000 0.230 188 D C -0.634 175.705 176.300 0.064 0.000 1.118 188 D CA -0.149 53.883 54.000 0.053 0.000 0.844 188 D CB 1.555 42.398 40.800 0.073 0.000 1.059 188 D HN 0.194 nan 8.370 nan 0.000 0.493 189 V N 3.306 123.251 119.914 0.053 0.000 2.406 189 V HA 0.510 4.630 4.120 0.000 0.000 0.272 189 V C 1.379 177.567 176.094 0.157 0.000 1.043 189 V CA -0.235 62.117 62.300 0.088 0.000 0.915 189 V CB 0.949 32.776 31.823 0.008 0.000 0.988 189 V HN 0.841 nan 8.190 nan 0.000 0.466 190 G N 4.090 113.047 108.800 0.262 0.000 2.295 190 G HA2 -0.188 3.772 3.960 0.000 0.000 0.287 190 G HA3 -0.188 3.772 3.960 0.000 0.000 0.287 190 G C 0.778 175.763 174.900 0.142 0.000 1.055 190 G CA 0.144 45.401 45.100 0.262 0.000 0.922 190 G HN 1.377 nan 8.290 nan 0.000 0.503 191 G N -0.588 108.273 108.800 0.102 0.000 3.181 191 G HA2 0.549 4.509 3.960 0.000 0.000 0.219 191 G HA3 0.549 4.509 3.960 0.000 0.000 0.219 191 G C 1.545 176.488 174.900 0.072 0.000 1.182 191 G CA 1.325 46.482 45.100 0.095 0.000 0.791 191 G HN 2.028 nan 8.290 nan 0.000 0.537 192 G N 1.230 110.059 108.800 0.049 0.000 2.547 192 G HA2 -0.377 3.583 3.960 0.000 0.000 0.271 192 G HA3 -0.377 3.583 3.960 0.000 0.000 0.271 192 G C 1.050 175.945 174.900 -0.009 0.000 1.209 192 G CA 0.281 45.403 45.100 0.036 0.000 0.959 192 G HN 0.879 nan 8.290 nan 0.000 0.563 193 N N 2.085 120.775 118.700 -0.017 0.000 2.575 193 N HA 0.229 4.970 4.740 0.000 0.000 0.192 193 N C 1.585 177.007 175.510 -0.146 0.000 1.200 193 N CA 1.144 54.145 53.050 -0.082 0.000 0.897 193 N CB 0.039 38.488 38.487 -0.064 0.000 0.990 193 N HN 2.356 nan 8.380 nan 0.000 0.449 194 G N -0.262 108.497 108.800 -0.069 0.000 2.157 194 G HA2 -0.243 3.717 3.960 0.000 0.000 0.248 194 G HA3 -0.243 3.717 3.960 0.000 0.000 0.248 194 G C 0.438 175.399 174.900 0.101 0.000 0.979 194 G CA -0.077 45.023 45.100 -0.000 0.000 0.650 194 G HN 0.706 nan 8.290 nan 0.000 0.529 198 A N 0.650 123.553 122.820 0.138 0.000 1.892 198 A HA -0.032 4.288 4.320 0.000 0.000 0.218 198 A C 2.253 179.838 177.584 0.002 0.000 1.188 198 A CA 2.906 55.010 52.037 0.111 0.000 0.631 198 A CB -1.053 18.082 19.000 0.225 0.000 0.822 198 A HN 0.680 nan 8.150 nan 0.000 0.447 199 A N -0.484 122.340 122.820 0.007 0.000 1.930 199 A HA -0.010 4.310 4.320 0.000 0.000 0.217 199 A C 2.111 179.649 177.584 -0.077 0.000 1.175 199 A CA 1.432 53.463 52.037 -0.010 0.000 0.627 199 A CB -0.580 18.436 19.000 0.026 0.000 0.815 199 A HN 0.494 nan 8.150 nan 0.000 0.443 200 I N -0.185 120.286 120.570 -0.166 0.000 2.226 200 I HA -0.271 3.899 4.170 0.000 0.000 0.245 200 I C 2.927 178.815 176.117 -0.383 0.000 1.100 200 I CA 1.135 62.191 61.300 -0.406 0.000 1.374 200 I CB -0.245 37.345 38.000 -0.684 0.000 1.057 200 I HN 0.342 nan 8.210 nan 0.000 0.413 201 A N 0.625 123.277 122.820 -0.280 0.000 1.898 201 A HA -0.106 4.214 4.320 0.000 0.000 0.216 201 A C 2.296 179.796 177.584 -0.140 0.000 1.181 201 A CA 1.195 53.091 52.037 -0.235 0.000 0.620 201 A CB -0.819 18.036 19.000 -0.243 0.000 0.819 201 A HN 0.351 nan 8.150 nan 0.000 0.442 202 L N -1.137 120.031 121.223 -0.093 0.000 2.083 202 L HA -0.179 4.161 4.340 0.000 0.000 0.209 202 L C 2.798 179.655 176.870 -0.023 0.000 1.083 202 L CA 1.731 56.546 54.840 -0.042 0.000 0.752 202 L CB -0.349 41.701 42.059 -0.015 0.000 0.899 202 L HN 0.430 nan 8.230 nan 0.000 0.433 203 R N 0.149 120.631 120.500 -0.030 0.000 2.115 203 R HA -0.002 4.338 4.340 0.000 0.000 0.230 203 R C 0.555 176.881 176.300 0.044 0.000 1.111 203 R CA 1.016 57.126 56.100 0.016 0.000 0.976 203 R CB 0.103 30.425 30.300 0.036 0.000 0.870 203 R HN 0.264 nan 8.270 nan 0.000 0.445 204 A N 0.499 123.327 122.820 0.013 0.000 2.709 204 A HA 0.388 4.708 4.320 0.000 0.000 0.332 204 A C -2.216 175.427 177.584 0.099 0.000 1.241 204 A CA -1.523 50.592 52.037 0.129 0.000 0.782 204 A CB 1.195 20.307 19.000 0.187 0.000 1.109 204 A HN 0.072 nan 8.150 nan 0.000 0.472 205 P HA -0.230 nan 4.420 nan 0.000 0.218 205 P C 1.240 178.578 177.300 0.063 0.000 1.146 205 P CA 1.640 64.774 63.100 0.057 0.000 0.813 205 P CB -0.071 31.665 31.700 0.060 0.000 0.778 206 H N -1.300 117.762 119.070 -0.013 0.000 2.546 206 H HA 0.068 4.624 4.556 0.000 0.000 0.277 206 H C 0.560 175.877 175.328 -0.019 0.000 1.004 206 H CA 0.210 56.254 56.048 -0.007 0.000 1.231 206 H CB -1.098 28.674 29.762 0.017 0.000 1.382 206 H HN 0.128 nan 8.280 nan 0.000 0.580 207 L N 2.291 123.185 121.223 -0.548 0.000 2.395 207 L HA 0.282 4.622 4.340 0.000 0.000 0.269 207 L C 0.485 177.182 176.870 -0.289 0.000 1.133 207 L CA -0.616 53.932 54.840 -0.487 0.000 0.812 207 L CB 0.835 42.634 42.059 -0.433 0.000 1.125 207 L HN 0.029 nan 8.230 nan 0.000 0.452 208 R N 1.491 121.835 120.500 -0.261 0.000 2.540 208 R HA 0.694 5.035 4.340 0.000 0.000 0.287 208 R C -0.147 176.017 176.300 -0.226 0.000 0.980 208 R CA -0.681 55.233 56.100 -0.311 0.000 0.966 208 R CB 1.473 31.476 30.300 -0.495 0.000 1.106 208 R HN 0.783 nan 8.270 nan 0.000 0.480 209 G N -0.079 108.586 108.800 -0.225 0.000 2.563 209 G HA2 0.569 4.529 3.960 0.000 0.000 0.302 209 G HA3 0.569 4.529 3.960 0.000 0.000 0.302 209 G C -1.229 173.654 174.900 -0.029 0.000 1.301 209 G CA -0.301 44.749 45.100 -0.083 0.000 0.965 209 G HN 0.337 nan 8.290 nan 0.000 0.480 210 T N 0.671 115.301 114.554 0.127 0.000 2.916 210 T HA 0.521 4.871 4.350 0.000 0.000 0.298 210 T C -0.949 173.810 174.700 0.099 0.000 1.031 210 T CA -0.350 61.820 62.100 0.118 0.000 0.993 210 T CB 1.769 70.758 68.868 0.201 0.000 1.045 210 T HN 0.516 nan 8.240 nan 0.000 0.454 211 L N 3.550 124.851 121.223 0.131 0.000 2.322 211 L HA 0.811 5.151 4.340 0.000 0.000 0.281 211 L C -1.213 175.713 176.870 0.093 0.000 1.014 211 L CA -0.655 54.270 54.840 0.143 0.000 0.815 211 L CB 1.216 43.424 42.059 0.248 0.000 1.247 211 L HN 0.442 nan 8.230 nan 0.000 0.421 212 V N 4.770 124.725 119.914 0.069 0.000 2.357 212 V HA 0.642 4.763 4.120 0.000 0.000 0.284 212 V C -0.327 175.772 176.094 0.007 0.000 1.018 212 V CA -0.453 61.870 62.300 0.037 0.000 0.841 212 V CB 1.222 33.072 31.823 0.044 0.000 0.991 212 V HN 0.738 nan 8.190 nan 0.000 0.437 213 E N 2.762 122.934 120.200 -0.047 0.000 2.412 213 E HA 0.502 4.852 4.350 0.000 0.000 0.279 213 E C -0.862 175.653 176.600 -0.143 0.000 0.984 213 E CA -0.737 55.599 56.400 -0.106 0.000 0.788 213 E CB 2.648 32.308 29.700 -0.067 0.000 1.277 213 E HN 0.420 nan 8.360 nan 0.000 0.455 214 L N 1.096 122.202 121.223 -0.194 0.000 2.472 214 L HA 0.016 4.356 4.340 0.000 0.000 0.273 214 L C 1.791 178.604 176.870 -0.096 0.000 1.254 214 L CA 0.513 55.261 54.840 -0.153 0.000 0.823 214 L CB 0.091 42.049 42.059 -0.167 0.000 1.096 214 L HN 0.791 nan 8.230 nan 0.000 0.521 215 A N 1.596 124.374 122.820 -0.071 0.000 1.865 215 A HA -0.138 4.182 4.320 0.000 0.000 0.217 215 A C 2.093 179.647 177.584 -0.050 0.000 1.191 215 A CA 1.958 53.964 52.037 -0.052 0.000 0.623 215 A CB -1.352 17.625 19.000 -0.038 0.000 0.826 215 A HN 0.992 nan 8.150 nan 0.000 0.444 216 G N 0.055 108.827 108.800 -0.047 0.000 2.511 216 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 216 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 216 G C -0.259 174.613 174.900 -0.045 0.000 1.218 216 G CA 1.348 46.424 45.100 -0.040 0.000 0.788 216 G HN 0.515 nan 8.290 nan 0.000 0.560 217 P HA 0.043 nan 4.420 nan 0.000 0.220 217 P C 2.019 179.270 177.300 -0.081 0.000 1.148 217 P CA 1.613 64.682 63.100 -0.051 0.000 0.803 217 P CB -0.108 31.566 31.700 -0.043 0.000 0.782 218 A N 0.119 122.893 122.820 -0.077 0.000 1.902 218 A HA -0.237 4.083 4.320 0.000 0.000 0.217 218 A C 2.357 179.882 177.584 -0.098 0.000 1.181 218 A CA 1.983 53.973 52.037 -0.079 0.000 0.623 218 A CB -1.245 17.723 19.000 -0.054 0.000 0.818 218 A HN 0.139 nan 8.150 nan 0.000 0.443 219 E N 0.037 120.189 120.200 -0.081 0.000 2.106 219 E HA -0.122 4.228 4.350 0.000 0.000 0.192 219 E C 2.126 178.662 176.600 -0.106 0.000 0.984 219 E CA 1.246 57.599 56.400 -0.078 0.000 0.806 219 E CB -0.211 29.456 29.700 -0.055 0.000 0.750 219 E HN 0.592 nan 8.360 nan 0.000 0.458 220 R N -0.058 120.375 120.500 -0.111 0.000 2.096 220 R HA -0.069 4.271 4.340 0.000 0.000 0.235 220 R C 2.349 178.508 176.300 -0.236 0.000 1.127 220 R CA 1.168 57.188 56.100 -0.133 0.000 0.968 220 R CB -0.415 29.825 30.300 -0.100 0.000 0.861 220 R HN 0.214 nan 8.270 nan 0.000 0.440 221 A N 1.301 123.933 122.820 -0.314 0.000 1.877 221 A HA -0.175 4.145 4.320 0.000 0.000 0.216 221 A C 2.080 179.193 177.584 -0.784 0.000 1.186 221 A CA 1.251 52.888 52.037 -0.666 0.000 0.620 221 A CB -0.385 18.286 19.000 -0.549 0.000 0.822 221 A HN 0.207 nan 8.150 nan 0.000 0.443 222 R N -0.822 119.472 120.500 -0.343 0.000 2.091 222 R HA -0.113 4.227 4.340 0.000 0.000 0.238 222 R C 2.489 178.725 176.300 -0.106 0.000 1.136 222 R CA 1.643 57.661 56.100 -0.137 0.000 0.959 222 R CB -0.286 29.983 30.300 -0.051 0.000 0.856 222 R HN 0.482 nan 8.270 nan 0.000 0.437 223 R N -0.108 120.312 120.500 -0.133 0.000 2.090 223 R HA -0.080 4.261 4.340 0.000 0.000 0.228 223 R C 2.396 178.652 176.300 -0.073 0.000 1.110 223 R CA 1.037 57.090 56.100 -0.079 0.000 0.973 223 R CB -0.206 30.050 30.300 -0.074 0.000 0.869 223 R HN 0.185 nan 8.270 nan 0.000 0.440 224 R N 0.462 120.870 120.500 -0.153 0.000 2.073 224 R HA -0.066 4.274 4.340 0.000 0.000 0.229 224 R C 2.005 178.337 176.300 0.052 0.000 1.120 224 R CA 1.252 57.294 56.100 -0.098 0.000 0.967 224 R CB -0.200 29.992 30.300 -0.180 0.000 0.862 224 R HN 0.178 nan 8.270 nan 0.000 0.436 225 F N 0.602 120.541 119.950 -0.018 0.000 2.134 225 F HA -0.152 4.375 4.527 0.000 0.000 0.299 225 F C 2.689 178.477 175.800 -0.020 0.000 1.097 225 F CA 0.386 58.373 58.000 -0.022 0.000 1.264 225 F CB -0.248 38.738 39.000 -0.023 0.000 1.001 225 F HN 0.231 nan 8.300 nan 0.000 0.479 226 A N 0.413 123.331 122.820 0.163 0.000 1.902 226 A HA -0.235 4.086 4.320 0.000 0.000 0.217 226 A C 1.519 179.136 177.584 0.054 0.000 1.181 226 A CA 2.237 54.323 52.037 0.083 0.000 0.623 226 A CB -0.948 18.081 19.000 0.048 0.000 0.818 226 A HN 0.334 nan 8.150 nan 0.000 0.443 227 D N -0.511 119.915 120.400 0.044 0.000 2.312 227 D HA 0.187 4.827 4.640 0.000 0.000 0.211 227 D C 1.707 178.029 176.300 0.036 0.000 0.964 227 D CA 0.928 54.944 54.000 0.028 0.000 0.877 227 D CB 0.011 40.819 40.800 0.013 0.000 0.924 227 D HN 0.461 nan 8.370 nan 0.000 0.515 228 A N 0.003 122.859 122.820 0.059 0.000 2.238 228 A HA 0.459 4.779 4.320 0.000 0.000 0.210 228 A C 1.603 179.208 177.584 0.035 0.000 1.179 228 A CA 0.516 52.585 52.037 0.053 0.000 0.827 228 A CB -0.291 18.758 19.000 0.082 0.000 0.856 228 A HN 0.180 nan 8.150 nan 0.000 0.488 229 G N -0.582 108.239 108.800 0.036 0.000 2.324 229 G HA2 -0.200 3.760 3.960 0.000 0.000 0.292 229 G HA3 -0.200 3.760 3.960 0.000 0.000 0.292 229 G C 0.276 175.175 174.900 -0.001 0.000 1.079 229 G CA 0.517 45.627 45.100 0.017 0.000 1.026 229 G HN 0.570 nan 8.290 nan 0.000 0.506 230 L N -1.038 120.186 121.223 0.003 0.000 2.966 230 L HA 0.381 4.721 4.340 0.000 0.000 0.262 230 L C 2.513 179.333 176.870 -0.083 0.000 1.165 230 L CA 0.580 55.382 54.840 -0.064 0.000 0.978 230 L CB 0.108 42.100 42.059 -0.112 0.000 1.337 230 L HN 0.367 nan 8.230 nan 0.000 0.563 231 A N 0.928 123.741 122.820 -0.012 0.000 2.070 231 A HA -0.219 4.102 4.320 0.000 0.000 0.220 231 A C 1.901 179.461 177.584 -0.040 0.000 1.159 231 A CA 1.834 53.870 52.037 -0.001 0.000 0.656 231 A CB -0.364 18.658 19.000 0.038 0.000 0.800 231 A HN 0.578 nan 8.150 nan 0.000 0.453 232 D N 0.210 120.581 120.400 -0.049 0.000 2.269 232 D HA -0.185 4.455 4.640 0.000 0.000 0.208 232 D C 1.488 177.736 176.300 -0.087 0.000 0.963 232 D CA 1.376 55.343 54.000 -0.055 0.000 0.864 232 D CB -0.330 40.445 40.800 -0.043 0.000 0.936 232 D HN 0.733 nan 8.370 nan 0.000 0.505 233 R N -0.763 119.662 120.500 -0.126 0.000 2.539 233 R HA 0.334 4.674 4.340 0.000 0.000 0.342 233 R C -0.561 175.597 176.300 -0.237 0.000 0.941 233 R CA -0.278 55.720 56.100 -0.170 0.000 1.146 233 R CB 0.780 30.983 30.300 -0.161 0.000 1.541 233 R HN -0.035 nan 8.270 nan 0.000 0.525 234 V N 2.481 122.229 119.914 -0.277 0.000 2.419 234 V HA 0.359 4.479 4.120 0.000 0.000 0.287 234 V C -0.236 175.647 176.094 -0.351 0.000 1.017 234 V CA -0.574 61.459 62.300 -0.445 0.000 0.844 234 V CB 1.528 32.868 31.823 -0.805 0.000 1.011 234 V HN 0.386 nan 8.190 nan 0.000 0.429 235 T N 1.656 116.109 114.554 -0.167 0.000 2.950 235 T HA 0.812 5.162 4.350 0.000 0.000 0.288 235 T C -0.592 174.195 174.700 0.145 0.000 1.035 235 T CA -0.848 61.263 62.100 0.018 0.000 1.028 235 T CB 2.126 70.997 68.868 0.005 0.000 1.109 235 T HN 0.221 nan 8.240 nan 0.000 0.514 236 V N 1.265 121.285 119.914 0.177 0.000 2.384 236 V HA 0.695 4.815 4.120 0.000 0.000 0.287 236 V C 0.211 176.353 176.094 0.081 0.000 1.020 236 V CA -0.921 61.476 62.300 0.161 0.000 0.850 236 V CB 1.032 32.931 31.823 0.127 0.000 0.987 236 V HN 1.232 nan 8.190 nan 0.000 0.436 237 A N 3.834 126.693 122.820 0.065 0.000 2.801 237 A HA 0.467 4.787 4.320 0.000 0.000 0.344 237 A C 0.179 177.771 177.584 0.014 0.000 1.322 237 A CA -0.453 51.605 52.037 0.035 0.000 0.913 237 A CB -0.062 18.960 19.000 0.037 0.000 1.140 237 A HN 0.884 nan 8.150 nan 0.000 0.487 238 E N 1.246 121.447 120.200 0.002 0.000 2.534 238 E HA 0.317 4.667 4.350 0.000 0.000 0.264 238 E C 0.726 177.307 176.600 -0.030 0.000 0.981 238 E CA 1.323 57.710 56.400 -0.022 0.000 0.948 238 E CB 0.416 30.103 29.700 -0.023 0.000 0.934 238 E HN 0.909 nan 8.360 nan 0.000 0.459 239 G N 2.854 111.618 108.800 -0.059 0.000 2.323 239 G HA2 0.108 4.069 3.960 0.000 0.000 0.291 239 G HA3 0.108 4.069 3.960 0.000 0.000 0.291 239 G C -1.819 173.005 174.900 -0.126 0.000 1.278 239 G CA -0.406 44.655 45.100 -0.065 0.000 0.860 239 G HN 0.550 nan 8.290 nan 0.000 0.504 240 D N -0.198 120.137 120.400 -0.110 0.000 2.542 240 D HA 0.455 5.095 4.640 0.000 0.000 0.252 240 D C 1.016 177.245 176.300 -0.120 0.000 1.222 240 D CA -0.869 53.032 54.000 -0.165 0.000 0.895 240 D CB 1.008 41.785 40.800 -0.038 0.000 1.207 240 D HN 0.303 nan 8.370 nan 0.000 0.558 241 F N 2.494 122.300 119.950 -0.239 0.000 2.771 241 F HA 0.192 4.719 4.527 0.000 0.000 0.299 241 F C 1.038 176.565 175.800 -0.455 0.000 1.177 241 F CA -0.372 57.423 58.000 -0.342 0.000 1.450 241 F CB -1.392 37.382 39.000 -0.376 0.000 1.114 241 F HN 0.155 nan 8.300 nan 0.000 0.587 242 F N 0.737 120.781 119.950 0.157 0.000 2.456 242 F HA 0.087 4.614 4.527 0.000 0.000 0.298 242 F C 1.507 177.304 175.800 -0.006 0.000 1.104 242 F CA 0.325 58.335 58.000 0.017 0.000 1.435 242 F CB -0.195 38.781 39.000 -0.041 0.000 1.078 242 F HN -0.257 nan 8.300 nan 0.000 0.546 243 K N 0.926 121.407 120.400 0.135 0.000 2.098 243 K HA 0.295 4.615 4.320 0.000 0.000 0.257 243 K C -2.370 174.252 176.600 0.037 0.000 0.999 243 K CA -2.040 54.289 56.287 0.070 0.000 0.924 243 K CB -0.146 32.382 32.500 0.046 0.000 1.028 243 K HN -0.178 nan 8.250 nan 0.000 0.466 244 P HA 0.059 nan 4.420 nan 0.000 0.266 244 P C -0.301 177.001 177.300 0.004 0.000 1.195 244 P CA 0.049 63.154 63.100 0.007 0.000 0.768 244 P CB 0.344 32.048 31.700 0.005 0.000 0.838 245 L N 5.438 126.658 121.223 -0.005 0.000 2.426 245 L HA 0.157 4.497 4.340 0.000 0.000 0.271 245 L C -0.618 176.251 176.870 -0.002 0.000 1.169 245 L CA -1.264 53.574 54.840 -0.004 0.000 0.836 245 L CB 0.198 42.247 42.059 -0.017 0.000 1.112 245 L HN 0.414 nan 8.230 nan 0.000 0.465 246 P HA -0.051 nan 4.420 nan 0.000 0.223 246 P C -0.015 177.292 177.300 0.012 0.000 1.151 246 P CA 0.805 63.911 63.100 0.010 0.000 0.787 246 P CB 0.117 31.826 31.700 0.016 0.000 0.788 247 V N -3.620 116.297 119.914 0.005 0.000 3.102 247 V HA 0.739 4.859 4.120 0.000 0.000 0.312 247 V C -0.126 175.947 176.094 -0.036 0.000 1.135 247 V CA -0.714 61.590 62.300 0.006 0.000 1.022 247 V CB 1.375 33.224 31.823 0.044 0.000 1.056 247 V HN 0.108 nan 8.190 nan 0.000 0.436 248 T N -0.372 114.160 114.554 -0.038 0.000 2.912 248 T HA 0.943 5.293 4.350 0.000 0.000 0.280 248 T C -0.041 174.546 174.700 -0.189 0.000 0.989 248 T CA -0.076 61.980 62.100 -0.074 0.000 0.995 248 T CB 1.525 70.377 68.868 -0.027 0.000 1.077 248 T HN 2.538 nan 8.240 nan 0.000 0.531 249 A N 0.603 123.313 122.820 -0.184 0.000 2.590 249 A HA 0.519 4.839 4.320 0.000 0.000 0.294 249 A C 0.239 177.773 177.584 -0.084 0.000 1.046 249 A CA -0.246 51.624 52.037 -0.277 0.000 0.684 249 A CB 0.750 19.435 19.000 -0.524 0.000 1.279 249 A HN 0.878 nan 8.150 nan 0.000 0.415 250 D N 0.146 120.542 120.400 -0.007 0.000 2.348 250 D HA 0.122 4.762 4.640 0.000 0.000 0.211 250 D C 0.102 176.453 176.300 0.085 0.000 0.998 250 D CA 0.639 54.671 54.000 0.054 0.000 0.873 250 D CB 0.404 41.258 40.800 0.090 0.000 0.925 250 D HN 0.232 nan 8.370 nan 0.000 0.524 251 V N 1.236 121.202 119.914 0.085 0.000 2.638 251 V HA 0.304 4.424 4.120 0.000 0.000 0.306 251 V C -0.421 175.701 176.094 0.048 0.000 1.052 251 V CA -0.908 61.459 62.300 0.112 0.000 0.885 251 V CB 2.500 34.478 31.823 0.258 0.000 0.999 251 V HN -0.092 nan 8.190 nan 0.000 0.424 252 V N 5.558 125.488 119.914 0.028 0.000 2.628 252 V HA 0.555 4.675 4.120 0.000 0.000 0.306 252 V C -0.825 175.279 176.094 0.017 0.000 1.045 252 V CA -0.759 61.542 62.300 0.003 0.000 0.905 252 V CB 2.011 33.821 31.823 -0.023 0.000 0.997 252 V HN 0.557 nan 8.190 nan 0.000 0.436 253 L N 5.513 126.747 121.223 0.018 0.000 2.305 253 L HA 0.604 4.944 4.340 0.000 0.000 0.284 253 L C -0.646 176.230 176.870 0.010 0.000 1.013 253 L CA -0.314 54.544 54.840 0.029 0.000 0.819 253 L CB 1.323 43.415 42.059 0.055 0.000 1.227 253 L HN 0.542 nan 8.230 nan 0.000 0.417 254 L N 3.818 125.040 121.223 -0.001 0.000 2.337 254 L HA 0.386 4.727 4.340 0.000 0.000 0.269 254 L C 0.004 176.874 176.870 0.001 0.000 1.018 254 L CA -0.132 54.696 54.840 -0.021 0.000 0.876 254 L CB 1.493 43.511 42.059 -0.067 0.000 1.236 254 L HN 0.600 nan 8.230 nan 0.000 0.436 255 S N 2.911 118.643 115.700 0.054 0.000 2.420 255 S HA 0.435 4.905 4.470 0.000 0.000 0.313 255 S C 0.196 174.931 174.600 0.225 0.000 1.079 255 S CA -0.307 57.955 58.200 0.104 0.000 1.104 255 S CB -0.024 63.266 63.200 0.150 0.000 0.969 255 S HN 0.454 nan 8.310 nan 0.000 0.471 256 F N 3.131 123.101 119.950 0.034 0.000 2.907 256 F HA -0.202 4.325 4.527 0.000 0.000 0.244 256 F C 0.920 176.807 175.800 0.145 0.000 1.007 256 F CA 0.476 58.526 58.000 0.083 0.000 0.872 256 F CB -1.780 37.259 39.000 0.065 0.000 0.767 256 F HN 0.434 nan 8.300 nan 0.000 0.837 257 V N -0.899 119.127 119.914 0.188 0.000 2.911 257 V HA -0.058 4.063 4.120 0.000 0.000 0.237 257 V C 2.029 178.288 176.094 0.275 0.000 1.156 257 V CA 0.863 63.306 62.300 0.239 0.000 1.180 257 V CB -0.102 31.781 31.823 0.100 0.000 0.932 257 V HN 0.448 nan 8.190 nan 0.000 0.483 258 L N 1.014 122.318 121.223 0.136 0.000 2.131 258 L HA -0.169 4.171 4.340 0.000 0.000 0.210 258 L C 2.499 179.489 176.870 0.200 0.000 1.092 258 L CA 1.940 56.876 54.840 0.159 0.000 0.759 258 L CB -0.601 41.482 42.059 0.040 0.000 0.903 258 L HN 0.465 nan 8.230 nan 0.000 0.435 259 L N -2.468 118.840 121.223 0.142 0.000 2.275 259 L HA -0.136 4.204 4.340 0.000 0.000 0.215 259 L C 1.658 178.578 176.870 0.084 0.000 1.119 259 L CA 1.515 56.428 54.840 0.121 0.000 0.790 259 L CB -0.728 41.415 42.059 0.140 0.000 0.919 259 L HN 0.256 nan 8.230 nan 0.000 0.443 260 N N -1.229 117.502 118.700 0.052 0.000 2.520 260 N HA -0.027 4.713 4.740 0.000 0.000 0.185 260 N C -0.489 174.722 175.510 -0.498 0.000 1.068 260 N CA 0.703 53.604 53.050 -0.248 0.000 0.911 260 N CB -0.011 38.269 38.487 -0.345 0.000 0.961 260 N HN 0.409 nan 8.380 nan 0.000 0.446 261 W N 0.356 121.760 121.300 0.174 0.000 2.882 261 W HA 0.358 5.019 4.660 0.000 0.000 0.345 261 W C 0.206 176.792 176.519 0.112 0.000 1.125 261 W CA -0.999 56.451 57.345 0.175 0.000 1.167 261 W CB 0.644 30.221 29.460 0.195 0.000 1.431 261 W HN -0.272 nan 8.180 nan 0.000 0.543 262 S N 0.035 115.958 115.700 0.371 0.000 2.634 262 S HA 0.085 4.555 4.470 0.000 0.000 0.261 262 S C 0.723 175.438 174.600 0.191 0.000 1.271 262 S CA -0.155 58.175 58.200 0.215 0.000 0.985 262 S CB 0.810 64.117 63.200 0.178 0.000 0.968 262 S HN 0.547 nan 8.310 nan 0.000 0.568 263 D N 0.719 121.190 120.400 0.118 0.000 2.106 263 D HA -0.192 4.449 4.640 0.000 0.000 0.191 263 D C 1.732 178.078 176.300 0.076 0.000 0.997 263 D CA 1.781 55.830 54.000 0.082 0.000 0.834 263 D CB -0.478 40.354 40.800 0.053 0.000 0.956 263 D HN 0.863 nan 8.370 nan 0.000 0.448 264 E N 0.648 120.894 120.200 0.077 0.000 2.085 264 E HA -0.203 4.147 4.350 0.000 0.000 0.194 264 E C 1.347 177.996 176.600 0.082 0.000 0.994 264 E CA 1.208 57.645 56.400 0.061 0.000 0.801 264 E CB 0.166 29.896 29.700 0.050 0.000 0.743 264 E HN 0.089 nan 8.360 nan 0.000 0.453 265 D N -0.129 120.359 120.400 0.146 0.000 2.149 265 D HA -0.069 4.571 4.640 0.000 0.000 0.201 265 D C 1.720 178.089 176.300 0.114 0.000 0.972 265 D CA 1.228 55.352 54.000 0.207 0.000 0.835 265 D CB -0.204 40.818 40.800 0.370 0.000 0.966 265 D HN 0.286 nan 8.370 nan 0.000 0.476 266 A N 0.450 123.337 122.820 0.112 0.000 1.968 266 A HA -0.076 4.244 4.320 0.000 0.000 0.217 266 A C 2.047 179.596 177.584 -0.059 0.000 1.169 266 A CA 0.588 52.631 52.037 0.010 0.000 0.638 266 A CB -0.469 18.583 19.000 0.085 0.000 0.812 266 A HN 0.186 nan 8.150 nan 0.000 0.446 267 L N 0.288 121.500 121.223 -0.018 0.000 2.046 267 L HA -0.113 4.227 4.340 0.000 0.000 0.208 267 L C 2.765 179.602 176.870 -0.055 0.000 1.077 267 L CA 2.770 57.585 54.840 -0.041 0.000 0.747 267 L CB -0.918 41.132 42.059 -0.015 0.000 0.896 267 L HN 0.544 nan 8.230 nan 0.000 0.432 268 T N -2.727 111.813 114.554 -0.023 0.000 2.985 268 T HA -0.074 4.276 4.350 0.000 0.000 0.266 268 T C 2.013 176.655 174.700 -0.096 0.000 1.076 268 T CA 1.139 63.231 62.100 -0.013 0.000 1.135 268 T CB -0.412 68.501 68.868 0.075 0.000 0.890 268 T HN 0.315 nan 8.240 nan 0.000 0.480 269 I N 0.696 121.131 120.570 -0.226 0.000 2.179 269 I HA -0.067 4.103 4.170 0.000 0.000 0.242 269 I C 2.600 178.544 176.117 -0.289 0.000 1.088 269 I CA 1.168 62.214 61.300 -0.423 0.000 1.357 269 I CB -0.393 37.168 38.000 -0.733 0.000 1.051 269 I HN 0.230 nan 8.210 nan 0.000 0.409 270 L N 0.229 121.314 121.223 -0.229 0.000 1.990 270 L HA -0.267 4.073 4.340 0.000 0.000 0.213 270 L C 2.830 179.612 176.870 -0.147 0.000 1.072 270 L CA 1.648 56.375 54.840 -0.189 0.000 0.755 270 L CB -0.524 41.425 42.059 -0.184 0.000 0.889 270 L HN 0.170 nan 8.230 nan 0.000 0.432 271 R N -0.555 119.875 120.500 -0.117 0.000 2.105 271 R HA -0.142 4.198 4.340 0.000 0.000 0.239 271 R C 2.282 178.537 176.300 -0.074 0.000 1.135 271 R CA 1.227 57.277 56.100 -0.083 0.000 0.967 271 R CB -0.660 29.605 30.300 -0.058 0.000 0.861 271 R HN 0.485 nan 8.270 nan 0.000 0.442 272 G N 0.165 108.913 108.800 -0.087 0.000 2.408 272 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 272 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 272 G C 1.457 176.309 174.900 -0.079 0.000 1.150 272 G CA 0.792 45.847 45.100 -0.074 0.000 0.776 272 G HN 0.336 nan 8.290 nan 0.000 0.542 273 C N -0.092 119.143 119.300 -0.108 0.000 2.429 273 C HA 0.003 4.464 4.460 0.000 0.000 0.277 273 C C 3.052 178.002 174.990 -0.068 0.000 1.262 273 C CA 0.650 59.612 59.018 -0.094 0.000 1.733 273 C CB -0.874 26.796 27.740 -0.117 0.000 2.010 273 C HN 0.291 nan 8.230 nan 0.000 0.483 274 V N 1.325 121.196 119.914 -0.070 0.000 2.287 274 V HA -0.231 3.890 4.120 0.000 0.000 0.248 274 V C 2.673 178.745 176.094 -0.037 0.000 1.053 274 V CA 2.343 64.613 62.300 -0.051 0.000 1.027 274 V CB -0.725 31.064 31.823 -0.057 0.000 0.646 274 V HN 0.470 nan 8.190 nan 0.000 0.447 275 R N 1.375 121.852 120.500 -0.038 0.000 2.091 275 R HA -0.138 4.202 4.340 0.000 0.000 0.238 275 R C 1.978 178.263 176.300 -0.026 0.000 1.136 275 R CA 2.082 58.165 56.100 -0.027 0.000 0.959 275 R CB -0.894 29.391 30.300 -0.025 0.000 0.856 275 R HN 0.445 nan 8.270 nan 0.000 0.437 276 A N -0.007 122.792 122.820 -0.034 0.000 2.209 276 A HA 0.104 4.424 4.320 0.000 0.000 0.212 276 A C 0.319 177.878 177.584 -0.041 0.000 1.158 276 A CA 0.085 52.099 52.037 -0.039 0.000 0.742 276 A CB -0.257 18.713 19.000 -0.050 0.000 0.790 276 A HN 0.232 nan 8.150 nan 0.000 0.472 277 L N 1.444 122.650 121.223 -0.029 0.000 2.325 277 L HA 0.242 4.582 4.340 0.000 0.000 0.284 277 L C 0.354 177.220 176.870 -0.007 0.000 1.089 277 L CA -0.171 54.659 54.840 -0.017 0.000 0.836 277 L CB 0.057 42.113 42.059 -0.006 0.000 1.184 277 L HN 0.330 nan 8.230 nan 0.000 0.444 278 E N 5.631 125.828 120.200 -0.005 0.000 2.438 278 E HA 0.045 4.395 4.350 0.000 0.000 0.261 278 E C -2.085 174.525 176.600 0.017 0.000 1.103 278 E CA -1.187 55.218 56.400 0.009 0.000 0.959 278 E CB 0.239 29.949 29.700 0.017 0.000 0.958 278 E HN 0.434 nan 8.360 nan 0.000 0.447 279 P HA -0.042 nan 4.420 nan 0.000 0.264 279 P C 0.261 177.577 177.300 0.027 0.000 1.183 279 P CA 1.052 64.165 63.100 0.021 0.000 0.763 279 P CB 0.383 32.094 31.700 0.019 0.000 0.807 280 G N 2.064 110.880 108.800 0.028 0.000 2.180 280 G HA2 -0.210 3.750 3.960 0.000 0.000 0.263 280 G HA3 -0.210 3.750 3.960 0.000 0.000 0.263 280 G C 0.689 175.615 174.900 0.044 0.000 0.989 280 G CA 0.027 45.147 45.100 0.033 0.000 0.692 280 G HN 0.901 nan 8.290 nan 0.000 0.526 281 G N -0.927 107.899 108.800 0.043 0.000 2.606 281 G HA2 0.571 4.531 3.960 0.000 0.000 0.252 281 G HA3 0.571 4.531 3.960 0.000 0.000 0.252 281 G C -0.014 174.924 174.900 0.062 0.000 1.206 281 G CA -0.472 44.658 45.100 0.051 0.000 0.861 281 G HN 0.522 nan 8.290 nan 0.000 0.561 282 R N -0.767 119.779 120.500 0.076 0.000 2.561 282 R HA 0.440 4.780 4.340 0.000 0.000 0.297 282 R C -0.872 175.469 176.300 0.068 0.000 0.969 282 R CA -0.746 55.404 56.100 0.084 0.000 0.879 282 R CB 1.990 32.356 30.300 0.109 0.000 1.178 282 R HN 0.415 nan 8.270 nan 0.000 0.445 283 L N 3.845 125.126 121.223 0.097 0.000 2.275 283 L HA 0.479 4.819 4.340 0.000 0.000 0.288 283 L C -1.327 175.605 176.870 0.104 0.000 1.046 283 L CA -0.047 54.854 54.840 0.101 0.000 0.805 283 L CB 0.814 42.951 42.059 0.129 0.000 1.193 283 L HN 0.540 nan 8.230 nan 0.000 0.426 284 L N 6.591 127.830 121.223 0.027 0.000 2.294 284 L HA 0.436 4.776 4.340 0.000 0.000 0.283 284 L C -0.794 176.093 176.870 0.028 0.000 1.015 284 L CA -0.829 53.992 54.840 -0.031 0.000 0.831 284 L CB 1.665 43.635 42.059 -0.149 0.000 1.217 284 L HN 0.353 nan 8.230 nan 0.000 0.420 285 V N 5.235 125.195 119.914 0.077 0.000 2.334 285 V HA 0.249 4.369 4.120 0.000 0.000 0.267 285 V C 0.386 176.474 176.094 -0.010 0.000 1.040 285 V CA -0.382 61.953 62.300 0.058 0.000 0.866 285 V CB 1.428 33.352 31.823 0.169 0.000 1.019 285 V HN 0.470 nan 8.190 nan 0.000 0.468 286 L N 5.144 126.328 121.223 -0.064 0.000 2.260 286 L HA 0.642 4.982 4.340 0.000 0.000 0.289 286 L C -0.201 176.352 176.870 -0.529 0.000 1.057 286 L CA 0.522 55.275 54.840 -0.146 0.000 0.811 286 L CB 0.994 43.013 42.059 -0.066 0.000 1.184 286 L HN 0.693 nan 8.230 nan 0.000 0.429 287 D N 1.644 121.699 120.400 -0.574 0.000 2.710 287 D HA 0.146 4.786 4.640 0.000 0.000 0.276 287 D C -0.992 175.139 176.300 -0.281 0.000 1.267 287 D CA -0.742 52.744 54.000 -0.858 0.000 0.772 287 D CB 2.300 42.858 40.800 -0.402 0.000 1.299 287 D HN 0.238 nan 8.370 nan 0.000 0.421 288 R N 0.505 120.961 120.500 -0.074 0.000 2.316 288 R HA 0.593 4.934 4.340 0.000 0.000 0.314 288 R C -0.941 175.382 176.300 0.039 0.000 1.069 288 R CA 0.073 56.239 56.100 0.110 0.000 0.959 288 R CB 0.378 30.827 30.300 0.249 0.000 0.987 288 R HN 0.321 nan 8.270 nan 0.000 0.446 289 A N 4.914 127.750 122.820 0.027 0.000 3.007 289 A HA 0.271 4.591 4.320 0.000 0.000 0.314 289 A C -1.279 176.312 177.584 0.011 0.000 1.153 289 A CA -0.900 51.150 52.037 0.022 0.000 0.780 289 A CB 0.196 19.212 19.000 0.026 0.000 1.258 289 A HN 0.706 nan 8.150 nan 0.000 0.460 290 D N 0.560 120.965 120.400 0.008 0.000 2.423 290 D HA 0.384 5.024 4.640 0.000 0.000 0.238 290 D C 0.122 176.424 176.300 0.004 0.000 1.142 290 D CA 0.681 54.681 54.000 -0.001 0.000 0.884 290 D CB 1.443 42.246 40.800 0.005 0.000 1.199 290 D HN 0.202 nan 8.370 nan 0.000 0.438 291 V N 2.693 122.606 119.914 -0.002 0.000 2.823 291 V HA 0.071 4.192 4.120 0.000 0.000 0.312 291 V C 1.103 177.196 176.094 -0.001 0.000 1.072 291 V CA -0.786 61.514 62.300 -0.001 0.000 0.937 291 V CB 2.097 33.916 31.823 -0.007 0.000 1.013 291 V HN 0.423 nan 8.190 nan 0.000 0.430 292 E N 3.239 123.440 120.200 0.002 0.000 2.241 292 E HA -0.267 4.083 4.350 0.000 0.000 0.244 292 E C 1.732 178.332 176.600 0.000 0.000 1.070 292 E CA 2.266 58.667 56.400 0.002 0.000 0.998 292 E CB -0.607 29.094 29.700 0.002 0.000 0.879 292 E HN 0.950 nan 8.360 nan 0.000 0.501 293 G N 0.793 109.591 108.800 -0.002 0.000 3.609 293 G HA2 -0.030 3.930 3.960 0.000 0.000 0.280 293 G HA3 -0.030 3.930 3.960 0.000 0.000 0.280 293 G C 0.769 175.665 174.900 -0.006 0.000 1.155 293 G CA 0.052 45.150 45.100 -0.003 0.000 0.876 293 G HN 0.092 nan 8.290 nan 0.000 0.535 294 D N 1.697 122.092 120.400 -0.008 0.000 2.200 294 D HA -0.220 4.420 4.640 0.000 0.000 0.192 294 D C 2.279 178.570 176.300 -0.015 0.000 1.008 294 D CA 2.213 56.204 54.000 -0.015 0.000 0.872 294 D CB -0.051 40.740 40.800 -0.016 0.000 0.923 294 D HN 0.506 nan 8.370 nan 0.000 0.447 295 G N -0.193 108.604 108.800 -0.005 0.000 2.179 295 G HA2 -0.249 3.712 3.960 0.000 0.000 0.260 295 G HA3 -0.249 3.712 3.960 0.000 0.000 0.260 295 G C 0.390 175.294 174.900 0.007 0.000 0.977 295 G CA 0.819 45.919 45.100 0.000 0.000 0.641 295 G HN 0.749 nan 8.290 nan 0.000 0.533 296 A N 0.154 122.974 122.820 0.000 0.000 2.363 296 A HA 0.527 4.847 4.320 0.000 0.000 0.270 296 A C 0.344 177.961 177.584 0.056 0.000 1.121 296 A CA 0.246 52.287 52.037 0.007 0.000 0.800 296 A CB 0.459 19.435 19.000 -0.041 0.000 1.052 296 A HN 0.323 nan 8.150 nan 0.000 0.493 297 D N 1.426 121.901 120.400 0.124 0.000 2.363 297 D HA 0.037 4.677 4.640 0.000 0.000 0.263 297 D C 1.076 177.481 176.300 0.175 0.000 1.258 297 D CA 0.002 54.112 54.000 0.183 0.000 0.907 297 D CB 0.512 41.516 40.800 0.340 0.000 1.107 297 D HN 0.417 nan 8.370 nan 0.000 0.495 298 R N 3.426 123.988 120.500 0.103 0.000 2.235 298 R HA -0.125 4.215 4.340 0.000 0.000 0.213 298 R C 1.776 178.101 176.300 0.041 0.000 1.059 298 R CA 0.148 56.288 56.100 0.066 0.000 0.997 298 R CB -0.615 29.709 30.300 0.039 0.000 0.884 298 R HN 0.555 nan 8.270 nan 0.000 0.462 299 F N 0.866 120.755 119.950 -0.103 0.000 2.069 299 F HA -0.222 4.305 4.527 0.000 0.000 0.298 299 F C 1.709 177.373 175.800 -0.226 0.000 1.113 299 F CA 1.570 59.425 58.000 -0.242 0.000 1.214 299 F CB -0.451 38.278 39.000 -0.451 0.000 0.978 299 F HN -0.133 nan 8.300 nan 0.000 0.474 300 F N -0.085 119.904 119.950 0.065 0.000 2.325 300 F HA -0.121 4.406 4.527 0.000 0.000 0.299 300 F C 2.513 178.341 175.800 0.047 0.000 1.090 300 F CA 1.006 59.034 58.000 0.047 0.000 1.392 300 F CB -0.711 38.461 39.000 0.286 0.000 1.053 300 F HN -0.083 nan 8.300 nan 0.000 0.521 301 S N -0.383 115.417 115.700 0.166 0.000 2.355 301 S HA -0.183 4.288 4.470 0.000 0.000 0.222 301 S C 2.269 176.883 174.600 0.024 0.000 1.031 301 S CA 1.896 60.161 58.200 0.109 0.000 0.993 301 S CB -0.787 62.450 63.200 0.061 0.000 0.859 301 S HN 0.533 nan 8.310 nan 0.000 0.453 302 T N 0.743 115.249 114.554 -0.080 0.000 2.951 302 T HA 0.083 4.433 4.350 0.000 0.000 0.268 302 T C 1.746 176.336 174.700 -0.183 0.000 1.073 302 T CA 0.712 62.741 62.100 -0.119 0.000 1.134 302 T CB -0.409 68.376 68.868 -0.139 0.000 0.884 302 T HN 0.194 nan 8.240 nan 0.000 0.479 303 L N 0.641 121.672 121.223 -0.320 0.000 2.005 303 L HA 0.245 4.585 4.340 0.000 0.000 0.207 303 L C 2.290 179.093 176.870 -0.111 0.000 1.072 303 L CA 1.398 56.035 54.840 -0.339 0.000 0.744 303 L CB -1.091 40.633 42.059 -0.557 0.000 0.895 303 L HN 0.248 nan 8.230 nan 0.000 0.433 304 L N 0.021 121.245 121.223 0.002 0.000 2.079 304 L HA -0.237 4.103 4.340 0.000 0.000 0.210 304 L C 2.135 179.012 176.870 0.012 0.000 1.081 304 L CA 2.249 57.128 54.840 0.064 0.000 0.752 304 L CB -0.990 41.196 42.059 0.212 0.000 0.896 304 L HN 0.535 nan 8.230 nan 0.000 0.433 305 D N -1.052 119.355 120.400 0.010 0.000 2.117 305 D HA -0.208 4.432 4.640 0.000 0.000 0.197 305 D C 2.164 178.440 176.300 -0.040 0.000 0.987 305 D CA 1.511 55.508 54.000 -0.005 0.000 0.829 305 D CB -0.081 40.719 40.800 0.000 0.000 0.961 305 D HN 0.427 nan 8.370 nan 0.000 0.460 306 L N -0.428 120.777 121.223 -0.029 0.000 2.179 306 L HA 0.049 4.390 4.340 0.000 0.000 0.208 306 L C 1.763 178.617 176.870 -0.027 0.000 1.096 306 L CA 0.312 55.170 54.840 0.029 0.000 0.779 306 L CB -0.228 41.901 42.059 0.118 0.000 0.922 306 L HN -0.026 nan 8.230 nan 0.000 0.443 310 T N 0.811 115.172 114.554 -0.323 0.000 2.851 310 T HA 0.190 4.540 4.350 0.000 0.000 0.262 310 T C 0.963 175.598 174.700 -0.108 0.000 1.043 310 T CA 1.097 62.975 62.100 -0.370 0.000 1.140 310 T CB -0.315 67.995 68.868 -0.929 0.000 0.872 310 T HN 0.133 nan 8.240 nan 0.000 0.446 314 G N 0.361 109.123 108.800 -0.063 0.000 2.543 314 G HA2 0.710 4.670 3.960 0.000 0.000 0.290 314 G HA3 0.710 4.670 3.960 0.000 0.000 0.290 314 G C -0.100 174.802 174.900 0.002 0.000 1.310 314 G CA -0.634 44.451 45.100 -0.024 0.000 1.025 314 G HN 0.852 nan 8.290 nan 0.000 0.502 315 R N -1.922 118.600 120.500 0.036 0.000 2.561 315 R HA 0.490 4.831 4.340 0.000 0.000 0.266 315 R C -1.668 174.665 176.300 0.055 0.000 1.091 315 R CA -0.844 55.278 56.100 0.036 0.000 0.927 315 R CB 1.297 31.621 30.300 0.039 0.000 1.240 315 R HN 0.340 nan 8.270 nan 0.000 0.449 316 V N 3.129 123.076 119.914 0.056 0.000 2.637 316 V HA 0.272 4.392 4.120 0.000 0.000 0.296 316 V C 0.444 176.572 176.094 0.056 0.000 1.046 316 V CA 0.127 62.472 62.300 0.076 0.000 1.066 316 V CB 0.794 32.673 31.823 0.095 0.000 0.968 316 V HN 0.637 nan 8.190 nan 0.000 0.483 317 R N 1.916 122.448 120.500 0.054 0.000 2.740 317 R HA 0.545 4.885 4.340 0.000 0.000 0.282 317 R C 0.060 176.384 176.300 0.039 0.000 0.969 317 R CA -0.566 55.559 56.100 0.043 0.000 0.918 317 R CB 2.114 32.439 30.300 0.041 0.000 1.175 317 R HN 0.876 nan 8.270 nan 0.000 0.464 318 T N -1.255 113.319 114.554 0.034 0.000 2.754 318 T HA 0.123 4.473 4.350 0.000 0.000 0.286 318 T C 1.329 176.052 174.700 0.038 0.000 0.997 318 T CA -0.660 61.459 62.100 0.031 0.000 0.982 318 T CB 1.135 70.018 68.868 0.025 0.000 1.027 318 T HN 0.484 nan 8.240 nan 0.000 0.529 319 R N 0.524 121.045 120.500 0.034 0.000 2.097 319 R HA -0.162 4.178 4.340 0.000 0.000 0.236 319 R C 1.681 178.016 176.300 0.058 0.000 1.135 319 R CA 2.437 58.564 56.100 0.044 0.000 0.934 319 R CB -0.966 29.349 30.300 0.025 0.000 0.846 319 R HN 0.748 nan 8.270 nan 0.000 0.431 320 D N 0.325 120.750 120.400 0.042 0.000 2.149 320 D HA -0.155 4.485 4.640 0.000 0.000 0.198 320 D C 1.841 178.168 176.300 0.045 0.000 0.990 320 D CA 1.295 55.321 54.000 0.043 0.000 0.839 320 D CB -0.206 40.612 40.800 0.029 0.000 0.948 320 D HN 0.484 nan 8.370 nan 0.000 0.460 321 E N 0.122 120.346 120.200 0.039 0.000 2.107 321 E HA -0.072 4.278 4.350 0.000 0.000 0.191 321 E C 2.275 178.895 176.600 0.034 0.000 0.982 321 E CA 0.353 56.773 56.400 0.032 0.000 0.809 321 E CB 0.202 29.919 29.700 0.029 0.000 0.756 321 E HN 0.083 nan 8.360 nan 0.000 0.459 322 V N 0.902 120.848 119.914 0.053 0.000 2.307 322 V HA -0.223 3.897 4.120 0.000 0.000 0.245 322 V C 2.342 178.473 176.094 0.062 0.000 1.045 322 V CA 1.231 63.566 62.300 0.060 0.000 1.024 322 V CB -0.361 31.530 31.823 0.114 0.000 0.651 322 V HN 0.129 nan 8.190 nan 0.000 0.449 323 V N 0.551 120.552 119.914 0.145 0.000 2.324 323 V HA -0.317 3.803 4.120 0.000 0.000 0.250 323 V C 2.251 178.377 176.094 0.054 0.000 1.060 323 V CA 2.456 64.866 62.300 0.184 0.000 1.042 323 V CB -0.739 31.189 31.823 0.176 0.000 0.650 323 V HN 0.575 nan 8.190 nan 0.000 0.450 324 D N -0.602 119.817 120.400 0.031 0.000 2.144 324 D HA -0.108 4.532 4.640 0.000 0.000 0.200 324 D C 1.866 178.149 176.300 -0.028 0.000 0.978 324 D CA 0.819 54.822 54.000 0.005 0.000 0.833 324 D CB -0.295 40.512 40.800 0.012 0.000 0.961 324 D HN 0.316 nan 8.370 nan 0.000 0.470 325 L N 0.566 121.765 121.223 -0.040 0.000 2.093 325 L HA -0.040 4.300 4.340 0.000 0.000 0.208 325 L C 2.064 178.854 176.870 -0.134 0.000 1.085 325 L CA 1.337 56.136 54.840 -0.067 0.000 0.755 325 L CB -0.525 41.502 42.059 -0.054 0.000 0.904 325 L HN -0.016 nan 8.230 nan 0.000 0.435 326 A N -0.830 121.858 122.820 -0.221 0.000 1.898 326 A HA -0.043 4.277 4.320 0.000 0.000 0.216 326 A C 2.353 179.796 177.584 -0.236 0.000 1.181 326 A CA 1.345 53.145 52.037 -0.394 0.000 0.620 326 A CB -1.485 16.953 19.000 -0.938 0.000 0.819 326 A HN 0.481 nan 8.150 nan 0.000 0.442 327 G N -0.370 108.353 108.800 -0.127 0.000 2.469 327 G HA2 -0.222 3.738 3.960 0.000 0.000 0.219 327 G HA3 -0.222 3.738 3.960 0.000 0.000 0.219 327 G C 1.789 176.654 174.900 -0.057 0.000 1.150 327 G CA 1.398 46.463 45.100 -0.059 0.000 0.763 327 G HN 0.494 nan 8.290 nan 0.000 0.561 328 S N 0.849 116.513 115.700 -0.060 0.000 2.399 328 S HA 0.038 4.508 4.470 0.000 0.000 0.231 328 S C 2.418 176.984 174.600 -0.057 0.000 1.022 328 S CA 1.033 59.205 58.200 -0.047 0.000 0.983 328 S CB -0.167 63.009 63.200 -0.040 0.000 0.803 328 S HN 0.596 nan 8.310 nan 0.000 0.480 329 A N 0.230 122.999 122.820 -0.086 0.000 2.251 329 A HA 0.530 4.850 4.320 0.000 0.000 0.209 329 A C 1.372 178.907 177.584 -0.082 0.000 1.187 329 A CA 0.511 52.494 52.037 -0.091 0.000 0.823 329 A CB -0.564 18.360 19.000 -0.127 0.000 0.846 329 A HN 0.867 nan 8.150 nan 0.000 0.486 330 G N -0.903 107.855 108.800 -0.070 0.000 2.203 330 G HA2 -0.149 3.811 3.960 0.000 0.000 0.231 330 G HA3 -0.149 3.811 3.960 0.000 0.000 0.231 330 G C -0.326 174.548 174.900 -0.044 0.000 1.058 330 G CA 0.203 45.276 45.100 -0.046 0.000 0.781 330 G HN 0.477 nan 8.290 nan 0.000 0.496 331 L N -0.294 120.888 121.223 -0.068 0.000 2.381 331 L HA 0.879 5.219 4.340 0.000 0.000 0.268 331 L C 0.334 177.234 176.870 0.050 0.000 0.997 331 L CA -0.669 54.146 54.840 -0.043 0.000 0.818 331 L CB 2.275 44.206 42.059 -0.212 0.000 1.310 331 L HN 0.426 nan 8.230 nan 0.000 0.416 332 A N 2.404 125.327 122.820 0.171 0.000 2.350 332 A HA 0.724 5.044 4.320 0.000 0.000 0.324 332 A C -1.057 176.724 177.584 0.328 0.000 1.118 332 A CA -0.606 51.559 52.037 0.214 0.000 0.783 332 A CB 1.513 20.577 19.000 0.107 0.000 1.236 332 A HN 0.594 nan 8.150 nan 0.000 0.457 333 L N 2.070 123.445 121.223 0.254 0.000 2.455 333 L HA 0.464 4.804 4.340 0.000 0.000 0.272 333 L C 1.006 177.843 176.870 -0.055 0.000 1.174 333 L CA 1.224 56.046 54.840 -0.030 0.000 0.869 333 L CB 1.031 43.051 42.059 -0.064 0.000 1.130 333 L HN 0.853 nan 8.230 nan 0.000 0.474 334 A N 3.016 125.761 122.820 -0.125 0.000 2.013 334 A HA 0.438 4.758 4.320 0.000 0.000 0.204 334 A C 0.572 178.104 177.584 -0.087 0.000 1.262 334 A CA 0.775 52.770 52.037 -0.070 0.000 0.800 334 A CB -0.074 18.903 19.000 -0.038 0.000 0.909 334 A HN 0.795 nan 8.150 nan 0.000 0.472 335 S N -1.379 114.239 115.700 -0.137 0.000 2.588 335 S HA 0.653 5.123 4.470 0.000 0.000 0.269 335 S C -1.324 173.193 174.600 -0.139 0.000 1.157 335 S CA -0.669 57.467 58.200 -0.106 0.000 0.824 335 S CB 1.823 64.987 63.200 -0.060 0.000 1.126 335 S HN 0.243 nan 8.310 nan 0.000 0.464 336 E N 0.535 120.681 120.200 -0.090 0.000 2.290 336 E HA 0.494 4.845 4.350 0.000 0.000 0.274 336 E C -1.211 175.363 176.600 -0.043 0.000 0.889 336 E CA -0.592 55.760 56.400 -0.079 0.000 0.760 336 E CB 1.754 31.411 29.700 -0.072 0.000 1.206 336 E HN 0.828 nan 8.360 nan 0.000 0.419 337 R N 0.942 121.426 120.500 -0.027 0.000 2.831 337 R HA 0.667 5.007 4.340 0.000 0.000 0.266 337 R C -0.999 175.292 176.300 -0.014 0.000 1.051 337 R CA -0.807 55.285 56.100 -0.014 0.000 0.943 337 R CB 1.650 31.954 30.300 0.006 0.000 1.228 337 R HN 0.263 nan 8.270 nan 0.000 0.467 338 T N 0.110 114.639 114.554 -0.042 0.000 2.908 338 T HA 0.554 4.904 4.350 0.000 0.000 0.290 338 T C -0.787 173.808 174.700 -0.175 0.000 1.034 338 T CA -0.464 61.572 62.100 -0.106 0.000 1.010 338 T CB 1.916 70.718 68.868 -0.111 0.000 1.068 338 T HN 0.528 nan 8.240 nan 0.000 0.481 339 S N -0.518 114.924 115.700 -0.430 0.000 2.851 339 S HA 0.939 5.409 4.470 0.000 0.000 0.313 339 S C 0.157 174.304 174.600 -0.755 0.000 1.163 339 S CA -0.077 57.797 58.200 -0.544 0.000 0.850 339 S CB 1.681 64.589 63.200 -0.486 0.000 1.245 339 S HN 0.979 nan 8.310 nan 0.000 0.558 340 G N 0.391 108.867 108.800 -0.539 0.000 3.321 340 G HA2 0.618 4.578 3.960 0.000 0.000 0.169 340 G HA3 0.618 4.578 3.960 0.000 0.000 0.169 340 G C -1.128 173.774 174.900 0.002 0.000 1.153 340 G CA 0.079 45.016 45.100 -0.271 0.000 1.007 340 G HN 0.927 nan 8.290 nan 0.000 0.668 341 S N -1.106 114.623 115.700 0.048 0.000 2.563 341 S HA 0.496 4.966 4.470 0.000 0.000 0.279 341 S C -0.965 173.663 174.600 0.047 0.000 1.155 341 S CA -0.272 57.989 58.200 0.102 0.000 0.928 341 S CB 1.310 64.595 63.200 0.142 0.000 1.107 341 S HN 0.626 nan 8.310 nan 0.000 0.462 342 T N 4.218 118.799 114.554 0.045 0.000 3.591 342 T HA 0.404 4.755 4.350 0.000 0.000 0.232 342 T C 0.556 175.260 174.700 0.006 0.000 1.116 342 T CA -0.030 62.082 62.100 0.020 0.000 1.063 342 T CB -0.147 68.735 68.868 0.023 0.000 1.227 342 T HN 0.668 nan 8.240 nan 0.000 0.685 343 T N 0.105 114.658 114.554 -0.001 0.000 3.939 343 T HA 0.148 4.499 4.350 0.000 0.000 0.285 343 T C -1.031 173.652 174.700 -0.029 0.000 0.828 343 T CA -0.257 61.835 62.100 -0.014 0.000 1.205 343 T CB 0.064 68.938 68.868 0.010 0.000 0.943 343 T HN 0.107 nan 8.240 nan 0.000 0.427 344 L N 2.279 123.476 121.223 -0.043 0.000 2.301 344 L HA 0.642 4.982 4.340 0.000 0.000 0.264 344 L C -2.404 174.413 176.870 -0.088 0.000 1.016 344 L CA -2.290 52.482 54.840 -0.112 0.000 0.821 344 L CB 0.739 42.667 42.059 -0.219 0.000 1.346 344 L HN 0.034 nan 8.230 nan 0.000 0.429 345 P HA 0.260 nan 4.420 nan 0.000 0.232 345 P C -1.083 176.155 177.300 -0.103 0.000 1.814 345 P CA 0.125 63.151 63.100 -0.124 0.000 1.085 345 P CB -0.438 31.205 31.700 -0.094 0.000 1.901 346 F N 2.113 121.969 119.950 -0.156 0.000 2.902 346 F HA 0.270 4.797 4.527 0.000 0.000 0.368 346 F C -0.717 175.098 175.800 0.025 0.000 1.202 346 F CA -0.805 57.156 58.000 -0.066 0.000 1.109 346 F CB 1.039 39.998 39.000 -0.069 0.000 1.418 346 F HN -0.092 nan 8.300 nan 0.000 0.527 347 D N 5.695 125.929 120.400 -0.277 0.000 2.308 347 D HA 0.313 4.953 4.640 0.000 0.000 0.251 347 D C -0.325 175.798 176.300 -0.295 0.000 1.127 347 D CA 0.610 54.443 54.000 -0.278 0.000 0.876 347 D CB 0.811 41.488 40.800 -0.206 0.000 1.176 347 D HN 0.277 nan 8.370 nan 0.000 0.446 348 F N -0.872 119.050 119.950 -0.047 0.000 2.654 348 F HA 0.788 5.315 4.527 0.000 0.000 0.334 348 F C -0.340 175.480 175.800 0.033 0.000 1.078 348 F CA -1.129 56.893 58.000 0.036 0.000 0.986 348 F CB 0.866 40.093 39.000 0.379 0.000 1.362 348 F HN 0.043 nan 8.300 nan 0.000 0.498 349 S N 0.391 116.312 115.700 0.369 0.000 2.600 349 S HA 0.751 5.222 4.470 0.000 0.000 0.300 349 S C -0.987 173.757 174.600 0.240 0.000 1.087 349 S CA -0.676 57.642 58.200 0.197 0.000 0.965 349 S CB 1.814 65.054 63.200 0.066 0.000 1.089 349 S HN 0.548 nan 8.310 nan 0.000 0.496 350 I N 2.117 122.769 120.570 0.135 0.000 2.389 350 I HA 0.396 4.566 4.170 0.000 0.000 0.288 350 I C -1.246 174.851 176.117 -0.034 0.000 0.999 350 I CA -0.382 60.960 61.300 0.070 0.000 1.129 350 I CB 1.105 39.159 38.000 0.090 0.000 1.288 350 I HN 0.285 nan 8.210 nan 0.000 0.444 351 L N 6.509 127.677 121.223 -0.091 0.000 2.316 351 L HA 0.471 4.811 4.340 0.000 0.000 0.280 351 L C -0.092 176.523 176.870 -0.426 0.000 1.006 351 L CA -0.472 54.200 54.840 -0.280 0.000 0.836 351 L CB 1.552 43.450 42.059 -0.268 0.000 1.221 351 L HN 0.602 nan 8.230 nan 0.000 0.418 352 E N 3.565 123.513 120.200 -0.420 0.000 2.200 352 E HA 0.484 4.834 4.350 0.000 0.000 0.283 352 E C -1.502 174.823 176.600 -0.458 0.000 1.015 352 E CA -0.420 55.806 56.400 -0.291 0.000 0.819 352 E CB 0.893 30.531 29.700 -0.103 0.000 1.081 352 E HN 0.340 nan 8.360 nan 0.000 0.397 353 F N 1.728 121.672 119.950 -0.010 0.000 2.546 353 F HA 0.380 4.907 4.527 0.000 0.000 0.320 353 F C 0.366 176.165 175.800 -0.002 0.000 1.076 353 F CA -0.679 57.316 58.000 -0.008 0.000 0.928 353 F CB 2.310 41.299 39.000 -0.019 0.000 1.189 353 F HN 0.397 nan 8.300 nan 0.000 0.465 354 T N -0.580 114.092 114.554 0.197 0.000 2.932 354 T HA 0.825 5.175 4.350 0.000 0.000 0.289 354 T C -0.282 174.474 174.700 0.093 0.000 1.039 354 T CA -1.039 61.128 62.100 0.112 0.000 1.024 354 T CB 1.660 70.571 68.868 0.071 0.000 1.090 354 T HN 0.811 nan 8.240 nan 0.000 0.496 355 A N 1.343 124.196 122.820 0.054 0.000 2.445 355 A HA 0.472 4.792 4.320 0.000 0.000 0.242 355 A C 1.675 179.277 177.584 0.029 0.000 1.075 355 A CA -0.107 51.948 52.037 0.029 0.000 0.777 355 A CB -0.080 18.930 19.000 0.016 0.000 1.013 355 A HN 1.598 nan 8.150 nan 0.000 0.493 356 V N 0.304 120.229 119.914 0.018 0.000 2.407 356 V HA 0.106 4.226 4.120 0.000 0.000 0.245 356 V C 1.112 177.214 176.094 0.013 0.000 1.041 356 V CA 1.844 64.155 62.300 0.018 0.000 1.040 356 V CB -0.956 30.875 31.823 0.012 0.000 0.671 356 V HN 0.958 nan 8.190 nan 0.000 0.455 357 S N 0.000 115.705 115.700 0.008 0.000 2.498 357 S HA 0.000 4.470 4.470 0.000 0.000 0.327 357 S CA 0.000 58.204 58.200 0.007 0.000 1.107 357 S CB 0.000 63.202 63.200 0.003 0.000 0.593 357 S HN 0.000 nan 8.310 nan 0.000 0.517