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 3oh1_1_A DATA FIRST_RESID 3 DATA SEQUENCE NPSNSNLQAL REELCTPGLD QGHLFEGWPE TVDECNERQI ALLTDLYMFS DATA SEQUENCE NMYPGGVAQY IRNGHELLAR ESEEVDFAAL EMPPLIFEAP SLHRRTAERT DATA SEQUENCE ALENAGTAML CKTVFVLVAG GLGERLGYSS IKVSLPVETA TNTTYLAYYL DATA SEQUENCE RWAQRVGGKE VPFVIMTSDD THDRTLQLLR ELQLEVPNLH VLKQGQVFCF DATA SEQUENCE ADSAAHLALD ETGKLLRKPH GHGDVHSLIY NATVXXXXXX XXXXXXXXAQ DATA SEQUENCE PLVNDWLAAG YESIVFIQDT NAGATITIPI SLALSAEHSL DMNFTCIPRV DATA SEQUENCE PKEPIGLLCR TKKNSGDPWL VANVEYNVFA EVSRALXXXX XXXXXXXXGF DATA SEQUENCE SPFPGSVNTL VFKLSSYVDR LRESHGIVPE FINPKYSDET RRSFKKPARI DATA SEQUENCE ESLMQDIALL FSEDDYRVGG TVFERFSYQP VKNSLEEAAG LVAQGNGAYC DATA SEQUENCE AATGEAAFYE LQRRRLKAIG LPLFYSSQPE VTVAKDAFGV RLFPIIVLDT DATA SEQUENCE VCASSGSLDD LARVFPTPEK VHIDQHSTLI VEGRVIIESL ELYGALTIRG DATA SEQUENCE PTDSMALPHV VRNAVVRNAG WSVHAILSLC AGRDSRLSEV DRIRGFVLKK DATA SEQUENCE TAMAVMDC 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.494 175.510 -0.026 0.000 1.280 3 N CA 0.000 53.086 53.050 0.060 0.000 0.885 3 N CB 0.000 38.571 38.487 0.140 0.000 1.341 4 P HA 0.221 nan 4.420 nan 0.000 0.232 4 P C -0.194 176.968 177.300 -0.230 0.000 1.814 4 P CA 0.179 63.092 63.100 -0.311 0.000 1.085 4 P CB 0.182 31.771 31.700 -0.185 0.000 1.901 5 S N 1.970 117.543 115.700 -0.213 0.000 2.560 5 S HA 0.019 4.517 4.470 0.047 0.000 0.284 5 S C 1.360 175.874 174.600 -0.144 0.000 1.327 5 S CA -0.156 57.965 58.200 -0.132 0.000 1.055 5 S CB 0.267 63.416 63.200 -0.086 0.000 0.868 5 S HN 0.121 nan 8.310 nan 0.000 0.506 6 N N 2.704 121.350 118.700 -0.089 0.000 2.364 6 N HA -0.075 4.693 4.740 0.047 0.000 0.183 6 N C 1.780 177.253 175.510 -0.062 0.000 1.022 6 N CA 1.267 54.274 53.050 -0.072 0.000 0.883 6 N CB -0.428 38.031 38.487 -0.046 0.000 0.965 6 N HN 0.621 nan 8.380 nan 0.000 0.438 7 S N 0.243 115.910 115.700 -0.055 0.000 2.371 7 S HA 0.027 4.525 4.470 0.047 0.000 0.224 7 S C 1.527 176.110 174.600 -0.028 0.000 1.029 7 S CA 0.739 58.919 58.200 -0.033 0.000 0.978 7 S CB -0.075 63.113 63.200 -0.020 0.000 0.833 7 S HN 0.316 nan 8.310 nan 0.000 0.466 8 N N 1.483 120.150 118.700 -0.056 0.000 2.331 8 N HA 0.075 4.843 4.740 0.047 0.000 0.180 8 N C 1.650 177.156 175.510 -0.008 0.000 1.019 8 N CA 0.702 53.745 53.050 -0.012 0.000 0.881 8 N CB -0.418 38.033 38.487 -0.060 0.000 0.972 8 N HN 0.407 nan 8.380 nan 0.000 0.435 9 L N 0.580 121.736 121.223 -0.112 0.000 2.179 9 L HA -0.030 4.338 4.340 0.047 0.000 0.208 9 L C 2.414 179.279 176.870 -0.009 0.000 1.096 9 L CA 0.759 55.567 54.840 -0.052 0.000 0.779 9 L CB -0.196 41.810 42.059 -0.089 0.000 0.922 9 L HN 0.094 nan 8.230 nan 0.000 0.443 10 Q N -0.044 119.740 119.800 -0.027 0.000 2.123 10 Q HA -0.097 4.271 4.340 0.047 0.000 0.199 10 Q C 2.351 178.332 176.000 -0.031 0.000 0.966 10 Q CA 1.576 57.354 55.803 -0.041 0.000 0.845 10 Q CB -0.013 28.704 28.738 -0.034 0.000 0.907 10 Q HN 0.493 nan 8.270 nan 0.000 0.439 11 A N 0.736 123.560 122.820 0.007 0.000 1.898 11 A HA -0.165 4.183 4.320 0.047 0.000 0.216 11 A C 2.054 179.663 177.584 0.041 0.000 1.181 11 A CA 1.254 53.306 52.037 0.026 0.000 0.620 11 A CB -0.635 18.396 19.000 0.052 0.000 0.819 11 A HN 0.356 nan 8.150 nan 0.000 0.442 12 L N 0.065 121.340 121.223 0.086 0.000 2.056 12 L HA -0.087 4.281 4.340 0.047 0.000 0.207 12 L C 2.404 179.300 176.870 0.042 0.000 1.078 12 L CA 2.353 57.261 54.840 0.114 0.000 0.749 12 L CB -0.759 41.441 42.059 0.235 0.000 0.901 12 L HN 0.489 nan 8.230 nan 0.000 0.433 13 R N -0.671 119.799 120.500 -0.051 0.000 2.091 13 R HA -0.235 4.133 4.340 0.047 0.000 0.238 13 R C 2.181 178.344 176.300 -0.228 0.000 1.136 13 R CA 1.819 57.751 56.100 -0.279 0.000 0.959 13 R CB -0.140 29.874 30.300 -0.478 0.000 0.856 13 R HN 0.407 nan 8.270 nan 0.000 0.437 14 E N 0.378 120.506 120.200 -0.121 0.000 2.072 14 E HA -0.196 4.182 4.350 0.047 0.000 0.191 14 E C 1.757 178.348 176.600 -0.015 0.000 0.985 14 E CA 1.552 57.911 56.400 -0.069 0.000 0.801 14 E CB 0.005 29.682 29.700 -0.037 0.000 0.750 14 E HN 0.415 nan 8.360 nan 0.000 0.452 15 E N -0.052 120.155 120.200 0.013 0.000 2.072 15 E HA -0.166 4.212 4.350 0.047 0.000 0.191 15 E C 1.824 178.462 176.600 0.062 0.000 0.985 15 E CA 0.839 57.265 56.400 0.043 0.000 0.801 15 E CB -0.065 29.671 29.700 0.060 0.000 0.750 15 E HN 0.279 nan 8.360 nan 0.000 0.452 16 L N 0.215 121.485 121.223 0.078 0.000 2.376 16 L HA -0.102 4.266 4.340 0.047 0.000 0.219 16 L C 1.971 178.917 176.870 0.126 0.000 1.133 16 L CA 0.175 55.087 54.840 0.119 0.000 0.816 16 L CB 0.010 42.171 42.059 0.171 0.000 0.933 16 L HN 0.326 nan 8.230 nan 0.000 0.449 17 C N -0.534 118.825 119.300 0.099 0.000 2.697 17 C HA 0.075 4.563 4.460 0.047 0.000 0.267 17 C C 1.670 176.697 174.990 0.061 0.000 1.278 17 C CA -0.251 58.821 59.018 0.091 0.000 1.708 17 C CB -1.301 26.478 27.740 0.065 0.000 1.860 17 C HN 0.493 nan 8.230 nan 0.000 0.589 18 T N -0.710 113.878 114.554 0.056 0.000 2.904 18 T HA 0.330 4.708 4.350 0.047 0.000 0.290 18 T C -2.897 171.829 174.700 0.044 0.000 1.018 18 T CA -1.608 60.517 62.100 0.042 0.000 1.075 18 T CB 0.619 69.508 68.868 0.035 0.000 0.986 18 T HN -0.082 nan 8.240 nan 0.000 0.523 19 P HA 0.238 nan 4.420 nan 0.000 0.262 19 P C 1.168 178.469 177.300 0.002 0.000 1.182 19 P CA 1.315 64.423 63.100 0.013 0.000 0.761 19 P CB 0.140 31.840 31.700 -0.000 0.000 0.795 20 G N 1.962 110.750 108.800 -0.021 0.000 2.241 20 G HA2 -0.269 3.719 3.960 0.047 0.000 0.244 20 G HA3 -0.269 3.719 3.960 0.047 0.000 0.244 20 G C 0.596 175.547 174.900 0.084 0.000 0.998 20 G CA 0.255 45.316 45.100 -0.065 0.000 0.621 20 G HN 0.476 nan 8.290 nan 0.000 0.519 21 L N -1.028 120.261 121.223 0.110 0.000 2.541 21 L HA 0.313 4.681 4.340 0.047 0.000 0.187 21 L C 0.897 177.854 176.870 0.145 0.000 1.098 21 L CA 0.556 55.487 54.840 0.152 0.000 0.846 21 L CB -0.043 42.087 42.059 0.119 0.000 1.151 21 L HN 0.119 nan 8.230 nan 0.000 0.492 22 D N 1.252 121.728 120.400 0.126 0.000 2.699 22 D HA -0.158 4.510 4.640 0.047 0.000 0.239 22 D C 0.126 176.553 176.300 0.211 0.000 1.136 22 D CA 0.507 54.603 54.000 0.159 0.000 0.668 22 D CB -0.638 40.271 40.800 0.182 0.000 1.060 22 D HN 0.405 nan 8.370 nan 0.000 0.429 23 Q N -0.744 119.118 119.800 0.103 0.000 2.375 23 Q HA 0.267 4.635 4.340 0.047 0.000 0.316 23 Q C 1.804 177.636 176.000 -0.280 0.000 0.927 23 Q CA 0.272 56.027 55.803 -0.079 0.000 1.029 23 Q CB 0.668 29.317 28.738 -0.148 0.000 1.202 23 Q HN 0.432 nan 8.270 nan 0.000 0.431 24 G N 1.320 110.073 108.800 -0.078 0.000 2.422 24 G HA2 -0.273 3.715 3.960 0.047 0.000 0.218 24 G HA3 -0.273 3.715 3.960 0.047 0.000 0.218 24 G C 1.218 175.951 174.900 -0.279 0.000 1.146 24 G CA 0.754 45.810 45.100 -0.072 0.000 0.769 24 G HN 0.631 nan 8.290 nan 0.000 0.547 25 H N 0.246 119.156 119.070 -0.266 0.000 2.568 25 H HA 0.140 4.724 4.556 0.047 0.000 0.281 25 H C 1.766 176.846 175.328 -0.413 0.000 1.028 25 H CA 0.416 56.290 56.048 -0.290 0.000 1.199 25 H CB -0.280 29.317 29.762 -0.274 0.000 1.352 25 H HN 0.362 nan 8.280 nan 0.000 0.605 26 L N -0.615 119.949 121.223 -1.098 0.000 2.463 26 L HA 0.115 4.483 4.340 0.047 0.000 0.219 26 L C 0.746 176.721 176.870 -1.492 0.000 1.088 26 L CA 0.287 54.353 54.840 -1.290 0.000 0.849 26 L CB 0.059 41.080 42.059 -1.730 0.000 1.012 26 L HN 0.118 nan 8.230 nan 0.000 0.468 27 F N -0.742 118.679 119.950 -0.882 0.000 2.735 27 F HA 0.264 4.819 4.527 0.047 0.000 0.304 27 F C 0.620 175.998 175.800 -0.703 0.000 1.119 27 F CA -0.762 56.348 58.000 -1.483 0.000 1.280 27 F CB 0.011 38.347 39.000 -1.106 0.000 0.994 27 F HN -0.141 nan 8.300 nan 0.000 0.520 28 E N 0.873 120.925 120.200 -0.248 0.000 2.480 28 E HA 0.290 4.668 4.350 0.047 0.000 0.258 28 E C 1.235 177.966 176.600 0.218 0.000 0.984 28 E CA 1.189 57.591 56.400 0.004 0.000 0.930 28 E CB 0.395 30.099 29.700 0.006 0.000 0.936 28 E HN 0.534 nan 8.360 nan 0.000 0.466 29 G N 2.628 111.558 108.800 0.217 0.000 2.162 29 G HA2 -0.251 3.737 3.960 0.047 0.000 0.260 29 G HA3 -0.251 3.737 3.960 0.047 0.000 0.260 29 G C -0.497 174.620 174.900 0.361 0.000 0.976 29 G CA -0.154 45.096 45.100 0.251 0.000 0.655 29 G HN 0.402 nan 8.290 nan 0.000 0.533 30 W N 0.705 122.041 121.300 0.059 0.000 2.303 30 W HA 0.623 5.310 4.660 0.046 0.000 0.334 30 W C -1.496 175.038 176.519 0.025 0.000 1.197 30 W CA -2.421 54.957 57.345 0.054 0.000 1.262 30 W CB -0.448 29.070 29.460 0.095 0.000 1.153 30 W HN -0.003 nan 8.180 nan 0.000 0.596 31 P HA -0.012 nan 4.420 nan 0.000 0.270 31 P C 0.812 178.178 177.300 0.109 0.000 1.223 31 P CA -0.131 63.029 63.100 0.100 0.000 0.785 31 P CB 0.706 32.426 31.700 0.034 0.000 0.923 32 E N 0.006 120.242 120.200 0.061 0.000 2.110 32 E HA -0.132 4.246 4.350 0.047 0.000 0.193 32 E C 0.377 176.992 176.600 0.025 0.000 0.988 32 E CA 1.111 57.535 56.400 0.039 0.000 0.804 32 E CB 0.149 29.862 29.700 0.022 0.000 0.745 32 E HN 0.463 nan 8.360 nan 0.000 0.458 33 T N -1.930 112.638 114.554 0.023 0.000 2.887 33 T HA 0.269 4.647 4.350 0.047 0.000 0.292 33 T C 0.977 175.684 174.700 0.012 0.000 1.087 33 T CA -0.402 61.704 62.100 0.009 0.000 1.009 33 T CB 1.649 70.516 68.868 -0.002 0.000 1.203 33 T HN -0.106 nan 8.240 nan 0.000 0.518 34 V N 2.279 122.195 119.914 0.002 0.000 2.282 34 V HA -0.163 3.985 4.120 0.047 0.000 0.249 34 V C 2.161 178.243 176.094 -0.019 0.000 1.057 34 V CA 2.776 65.075 62.300 -0.001 0.000 1.032 34 V CB -0.908 30.908 31.823 -0.012 0.000 0.645 34 V HN 0.932 nan 8.190 nan 0.000 0.447 35 D N 0.311 120.699 120.400 -0.021 0.000 2.149 35 D HA -0.210 4.458 4.640 0.047 0.000 0.198 35 D C 1.932 178.213 176.300 -0.032 0.000 0.990 35 D CA 1.416 55.401 54.000 -0.026 0.000 0.839 35 D CB -0.377 40.410 40.800 -0.021 0.000 0.948 35 D HN 0.596 nan 8.370 nan 0.000 0.460 36 E N -0.231 119.953 120.200 -0.026 0.000 2.409 36 E HA -0.023 4.355 4.350 0.047 0.000 0.198 36 E C 0.178 176.744 176.600 -0.057 0.000 1.024 36 E CA 0.082 56.464 56.400 -0.030 0.000 0.861 36 E CB -0.033 29.660 29.700 -0.013 0.000 0.788 36 E HN 0.294 nan 8.360 nan 0.000 0.521 37 C N 2.181 121.438 119.300 -0.073 0.000 2.520 37 C HA 0.190 4.678 4.460 0.047 0.000 0.376 37 C C 0.778 175.680 174.990 -0.147 0.000 1.268 37 C CA -1.132 57.797 59.018 -0.148 0.000 2.414 37 C CB -0.033 27.610 27.740 -0.161 0.000 2.521 37 C HN 0.464 nan 8.230 nan 0.000 0.618 38 N N 0.463 119.041 118.700 -0.204 0.000 2.491 38 N HA 0.232 5.000 4.740 0.047 0.000 0.279 38 N C 0.467 175.892 175.510 -0.142 0.000 1.236 38 N CA -0.630 52.328 53.050 -0.153 0.000 0.982 38 N CB 0.342 38.736 38.487 -0.155 0.000 1.194 38 N HN 0.656 nan 8.380 nan 0.000 0.582 39 E N -0.958 119.183 120.200 -0.099 0.000 2.110 39 E HA -0.220 4.158 4.350 0.047 0.000 0.193 39 E C 1.589 178.142 176.600 -0.079 0.000 0.988 39 E CA 0.972 57.328 56.400 -0.072 0.000 0.804 39 E CB -0.053 29.619 29.700 -0.048 0.000 0.745 39 E HN 0.435 nan 8.360 nan 0.000 0.458 40 R N 1.039 121.477 120.500 -0.104 0.000 2.092 40 R HA -0.126 4.242 4.340 0.047 0.000 0.231 40 R C 2.059 178.284 176.300 -0.124 0.000 1.119 40 R CA 1.565 57.611 56.100 -0.091 0.000 0.970 40 R CB 0.035 30.279 30.300 -0.093 0.000 0.864 40 R HN 0.185 nan 8.270 nan 0.000 0.440 41 Q N -0.727 118.901 119.800 -0.286 0.000 2.089 41 Q HA 0.046 4.414 4.340 0.047 0.000 0.195 41 Q C 2.106 177.998 176.000 -0.181 0.000 0.963 41 Q CA 1.171 56.661 55.803 -0.522 0.000 0.834 41 Q CB 0.013 27.996 28.738 -1.257 0.000 0.906 41 Q HN 0.312 nan 8.270 nan 0.000 0.452 42 I N 0.996 121.482 120.570 -0.141 0.000 2.530 42 I HA -0.275 3.923 4.170 0.047 0.000 0.257 42 I C 2.081 178.221 176.117 0.038 0.000 1.179 42 I CA 0.810 62.098 61.300 -0.020 0.000 1.440 42 I CB -0.143 37.830 38.000 -0.044 0.000 1.087 42 I HN 0.193 nan 8.210 nan 0.000 0.440 43 A N 0.122 122.958 122.820 0.027 0.000 2.021 43 A HA -0.088 4.260 4.320 0.047 0.000 0.216 43 A C 2.217 179.868 177.584 0.112 0.000 1.163 43 A CA 0.673 52.745 52.037 0.058 0.000 0.676 43 A CB -0.356 18.664 19.000 0.033 0.000 0.818 43 A HN 0.427 nan 8.150 nan 0.000 0.453 44 L N -0.745 120.574 121.223 0.159 0.000 2.095 44 L HA 0.025 4.393 4.340 0.047 0.000 0.204 44 L C 2.263 179.281 176.870 0.247 0.000 1.080 44 L CA 1.050 56.020 54.840 0.216 0.000 0.759 44 L CB -0.189 42.066 42.059 0.326 0.000 0.914 44 L HN 0.361 nan 8.230 nan 0.000 0.439 45 L N -0.685 120.730 121.223 0.321 0.000 2.042 45 L HA -0.247 4.121 4.340 0.047 0.000 0.210 45 L C 2.455 179.463 176.870 0.230 0.000 1.076 45 L CA 1.918 56.929 54.840 0.284 0.000 0.749 45 L CB -0.623 41.592 42.059 0.260 0.000 0.893 45 L HN 0.325 nan 8.230 nan 0.000 0.432 46 T N -1.267 113.397 114.554 0.182 0.000 2.708 46 T HA -0.222 4.156 4.350 0.047 0.000 0.266 46 T C 1.492 176.334 174.700 0.237 0.000 1.037 46 T CA 1.595 63.802 62.100 0.178 0.000 1.146 46 T CB -0.228 68.706 68.868 0.110 0.000 0.865 46 T HN 0.345 nan 8.240 nan 0.000 0.435 47 D N 0.944 121.468 120.400 0.206 0.000 2.116 47 D HA -0.087 4.581 4.640 0.047 0.000 0.193 47 D C 2.050 178.550 176.300 0.334 0.000 0.998 47 D CA 1.094 55.238 54.000 0.238 0.000 0.836 47 D CB -0.401 40.518 40.800 0.197 0.000 0.951 47 D HN 0.313 nan 8.370 nan 0.000 0.449 48 L N -0.829 120.552 121.223 0.263 0.000 2.046 48 L HA -0.180 4.188 4.340 0.047 0.000 0.208 48 L C 2.412 179.485 176.870 0.338 0.000 1.077 48 L CA 1.222 56.209 54.840 0.245 0.000 0.747 48 L CB -0.556 41.578 42.059 0.125 0.000 0.896 48 L HN 0.150 nan 8.230 nan 0.000 0.432 49 Y N -0.209 120.210 120.300 0.198 0.000 2.133 49 Y HA -0.248 4.330 4.550 0.047 0.000 0.287 49 Y C 2.622 178.633 175.900 0.185 0.000 1.134 49 Y CA 1.477 59.680 58.100 0.172 0.000 1.133 49 Y CB 0.039 38.571 38.460 0.120 0.000 0.987 49 Y HN 0.026 nan 8.280 nan 0.000 0.502 50 M N -0.689 119.115 119.600 0.340 0.000 2.358 50 M HA -0.217 4.291 4.480 0.047 0.000 0.264 50 M C 2.078 178.464 176.300 0.144 0.000 1.064 50 M CA 1.160 56.592 55.300 0.221 0.000 1.093 50 M CB -1.655 31.073 32.600 0.214 0.000 1.401 50 M HN 0.452 nan 8.290 nan 0.000 0.440 51 F N 1.073 121.042 119.950 0.032 0.000 2.236 51 F HA -0.282 4.273 4.527 0.046 0.000 0.302 51 F C 2.330 178.104 175.800 -0.043 0.000 1.073 51 F CA 1.188 59.161 58.000 -0.045 0.000 1.336 51 F CB 0.052 39.064 39.000 0.021 0.000 1.040 51 F HN 0.108 nan 8.300 nan 0.000 0.507 52 S N 0.457 116.118 115.700 -0.065 0.000 2.402 52 S HA -0.274 4.224 4.470 0.047 0.000 0.233 52 S C 1.231 175.726 174.600 -0.176 0.000 1.030 52 S CA 1.728 59.839 58.200 -0.148 0.000 1.003 52 S CB -0.675 62.402 63.200 -0.205 0.000 0.813 52 S HN 0.694 nan 8.310 nan 0.000 0.477 53 N N -0.213 118.399 118.700 -0.147 0.000 2.322 53 N HA 0.205 4.973 4.740 0.047 0.000 0.194 53 N C 1.020 176.434 175.510 -0.160 0.000 1.126 53 N CA 0.213 53.191 53.050 -0.119 0.000 0.845 53 N CB -0.028 38.425 38.487 -0.057 0.000 0.976 53 N HN 0.325 nan 8.380 nan 0.000 0.475 54 M N -1.435 117.995 119.600 -0.284 0.000 2.571 54 M HA 0.225 4.733 4.480 0.047 0.000 0.259 54 M C -0.749 175.308 176.300 -0.405 0.000 1.205 54 M CA 0.161 55.259 55.300 -0.337 0.000 1.138 54 M CB 0.710 33.034 32.600 -0.459 0.000 1.329 54 M HN 0.159 nan 8.290 nan 0.000 0.503 55 Y N 1.142 121.022 120.300 -0.700 0.000 2.433 55 Y HA 0.391 4.969 4.550 0.046 0.000 0.337 55 Y C -2.582 173.123 175.900 -0.324 0.000 1.026 55 Y CA -2.509 55.221 58.100 -0.617 0.000 1.037 55 Y CB 1.645 39.452 38.460 -1.089 0.000 1.245 55 Y HN -0.122 nan 8.280 nan 0.000 0.443 56 P HA 0.223 nan 4.420 nan 0.000 0.265 56 P C 0.466 177.694 177.300 -0.121 0.000 1.222 56 P CA 1.511 64.424 63.100 -0.312 0.000 0.767 56 P CB 0.550 32.040 31.700 -0.350 0.000 0.801 57 G N 2.649 111.435 108.800 -0.023 0.000 2.157 57 G HA2 -0.010 3.978 3.960 0.047 0.000 0.248 57 G HA3 -0.010 3.978 3.960 0.047 0.000 0.248 57 G C 0.627 175.617 174.900 0.149 0.000 0.979 57 G CA 0.287 45.425 45.100 0.063 0.000 0.650 57 G HN 0.922 nan 8.290 nan 0.000 0.529 58 G N -1.490 107.400 108.800 0.150 0.000 2.598 58 G HA2 -0.060 3.928 3.960 0.047 0.000 0.269 58 G HA3 -0.060 3.928 3.960 0.047 0.000 0.269 58 G C 1.287 176.489 174.900 0.502 0.000 1.289 58 G CA 1.657 46.898 45.100 0.234 0.000 0.926 58 G HN 1.642 nan 8.290 nan 0.000 0.567 59 V N 0.652 120.904 119.914 0.563 0.000 2.515 59 V HA 0.106 4.254 4.120 0.047 0.000 0.250 59 V C 3.183 179.497 176.094 0.366 0.000 1.058 59 V CA 3.210 65.819 62.300 0.514 0.000 1.064 59 V CB -1.017 31.003 31.823 0.329 0.000 0.675 59 V HN 1.826 nan 8.190 nan 0.000 0.461 60 A N -0.672 122.313 122.820 0.275 0.000 1.902 60 A HA -0.271 4.077 4.320 0.047 0.000 0.217 60 A C 2.122 179.850 177.584 0.241 0.000 1.181 60 A CA 2.094 54.261 52.037 0.216 0.000 0.623 60 A CB -0.626 18.467 19.000 0.155 0.000 0.818 60 A HN 0.613 nan 8.150 nan 0.000 0.443 61 Q N -1.709 118.261 119.800 0.284 0.000 2.119 61 Q HA -0.154 4.215 4.340 0.047 0.000 0.201 61 Q C 1.763 177.989 176.000 0.378 0.000 0.972 61 Q CA 1.856 57.833 55.803 0.290 0.000 0.847 61 Q CB -0.603 28.295 28.738 0.266 0.000 0.903 61 Q HN 0.710 nan 8.270 nan 0.000 0.433 62 Y N 0.148 120.642 120.300 0.323 0.000 2.128 62 Y HA -0.212 4.366 4.550 0.046 0.000 0.284 62 Y C 1.715 177.756 175.900 0.234 0.000 1.154 62 Y CA 1.942 60.150 58.100 0.180 0.000 1.149 62 Y CB -0.171 38.279 38.460 -0.017 0.000 0.976 62 Y HN 0.153 nan 8.280 nan 0.000 0.505 63 I N -0.196 120.544 120.570 0.283 0.000 2.179 63 I HA -0.350 3.848 4.170 0.047 0.000 0.242 63 I C 2.507 178.563 176.117 -0.102 0.000 1.088 63 I CA 1.593 62.949 61.300 0.094 0.000 1.357 63 I CB -0.446 37.622 38.000 0.113 0.000 1.051 63 I HN 0.168 nan 8.210 nan 0.000 0.409 64 R N 0.700 121.251 120.500 0.086 0.000 2.096 64 R HA -0.148 4.220 4.340 0.047 0.000 0.235 64 R C 1.999 178.340 176.300 0.067 0.000 1.127 64 R CA 1.729 57.911 56.100 0.136 0.000 0.968 64 R CB -0.535 29.853 30.300 0.146 0.000 0.861 64 R HN 0.546 nan 8.270 nan 0.000 0.440 65 N N -0.404 118.327 118.700 0.053 0.000 2.188 65 N HA -0.115 4.653 4.740 0.047 0.000 0.184 65 N C 1.928 177.413 175.510 -0.042 0.000 1.018 65 N CA 0.773 53.846 53.050 0.039 0.000 0.858 65 N CB -0.181 38.370 38.487 0.105 0.000 0.989 65 N HN 0.265 nan 8.380 nan 0.000 0.426 66 G N 1.459 110.168 108.800 -0.152 0.000 2.446 66 G HA2 -0.277 3.711 3.960 0.047 0.000 0.217 66 G HA3 -0.277 3.711 3.960 0.047 0.000 0.217 66 G C 1.154 175.849 174.900 -0.342 0.000 1.168 66 G CA 0.855 45.770 45.100 -0.309 0.000 0.771 66 G HN 0.354 nan 8.290 nan 0.000 0.551 67 H N 0.373 119.295 119.070 -0.247 0.000 2.289 67 H HA -0.114 4.470 4.556 0.047 0.000 0.296 67 H C 2.412 177.681 175.328 -0.100 0.000 1.091 67 H CA 1.716 57.655 56.048 -0.181 0.000 1.274 67 H CB -0.494 29.187 29.762 -0.135 0.000 1.364 67 H HN 0.587 nan 8.280 nan 0.000 0.490 68 E N 0.718 120.958 120.200 0.066 0.000 2.118 68 E HA -0.135 4.243 4.350 0.047 0.000 0.195 68 E C 2.315 178.932 176.600 0.029 0.000 0.992 68 E CA 0.798 57.222 56.400 0.041 0.000 0.804 68 E CB -0.043 29.681 29.700 0.041 0.000 0.741 68 E HN 0.341 nan 8.360 nan 0.000 0.458 69 L N 0.332 121.567 121.223 0.021 0.000 2.072 69 L HA -0.116 4.252 4.340 0.047 0.000 0.205 69 L C 2.559 179.456 176.870 0.045 0.000 1.079 69 L CA 0.545 55.410 54.840 0.041 0.000 0.752 69 L CB -0.265 41.824 42.059 0.049 0.000 0.906 69 L HN 0.211 nan 8.230 nan 0.000 0.436 70 L N -0.287 120.947 121.223 0.017 0.000 2.083 70 L HA -0.212 4.156 4.340 0.047 0.000 0.209 70 L C 2.857 179.765 176.870 0.064 0.000 1.083 70 L CA 1.169 56.039 54.840 0.051 0.000 0.752 70 L CB -0.734 41.332 42.059 0.013 0.000 0.899 70 L HN 0.249 nan 8.230 nan 0.000 0.433 71 A N 0.219 123.063 122.820 0.040 0.000 1.855 71 A HA -0.244 4.104 4.320 0.047 0.000 0.215 71 A C 2.441 180.041 177.584 0.027 0.000 1.191 71 A CA 1.783 53.838 52.037 0.029 0.000 0.613 71 A CB -0.602 18.407 19.000 0.014 0.000 0.829 71 A HN 0.372 nan 8.150 nan 0.000 0.442 72 R N 0.454 120.971 120.500 0.028 0.000 2.091 72 R HA -0.220 4.148 4.340 0.047 0.000 0.238 72 R C 1.757 178.075 176.300 0.030 0.000 1.136 72 R CA 2.137 58.249 56.100 0.020 0.000 0.959 72 R CB -0.278 30.038 30.300 0.026 0.000 0.856 72 R HN 0.633 nan 8.270 nan 0.000 0.437 73 E N 0.118 120.354 120.200 0.060 0.000 2.489 73 E HA -0.041 4.337 4.350 0.047 0.000 0.193 73 E C 1.186 177.832 176.600 0.077 0.000 1.057 73 E CA 0.777 57.224 56.400 0.077 0.000 0.866 73 E CB 0.363 30.134 29.700 0.119 0.000 0.916 73 E HN 0.365 nan 8.360 nan 0.000 0.500 74 S N -0.722 115.013 115.700 0.059 0.000 2.528 74 S HA 0.021 4.519 4.470 0.047 0.000 0.219 74 S C 0.707 175.310 174.600 0.005 0.000 0.985 74 S CA -0.375 57.848 58.200 0.037 0.000 0.914 74 S CB -0.227 62.995 63.200 0.037 0.000 0.776 74 S HN 0.237 nan 8.310 nan 0.000 0.526 75 E N 1.567 121.768 120.200 0.002 0.000 2.961 75 E HA 0.349 4.727 4.350 0.047 0.000 0.254 75 E C -0.690 175.897 176.600 -0.021 0.000 1.192 75 E CA -0.631 55.760 56.400 -0.016 0.000 1.069 75 E CB 0.318 30.005 29.700 -0.023 0.000 1.338 75 E HN 0.442 nan 8.360 nan 0.000 0.596 76 E N 1.099 121.279 120.200 -0.033 0.000 2.081 76 E HA 0.199 4.577 4.350 0.047 0.000 0.276 76 E C -0.627 175.939 176.600 -0.056 0.000 0.950 76 E CA -0.427 55.950 56.400 -0.038 0.000 0.776 76 E CB 1.820 31.497 29.700 -0.038 0.000 1.094 76 E HN 0.103 nan 8.360 nan 0.000 0.402 77 V N 4.611 124.492 119.914 -0.055 0.000 2.420 77 V HA -0.037 4.111 4.120 0.047 0.000 0.274 77 V C -0.940 175.094 176.094 -0.100 0.000 1.003 77 V CA 0.626 62.864 62.300 -0.104 0.000 1.092 77 V CB -0.007 31.772 31.823 -0.074 0.000 1.002 77 V HN 0.568 nan 8.190 nan 0.000 0.473 78 D N 6.486 126.785 120.400 -0.168 0.000 2.787 78 D HA 0.430 5.098 4.640 0.047 0.000 0.246 78 D C -0.590 175.607 176.300 -0.172 0.000 1.150 78 D CA -0.011 53.940 54.000 -0.082 0.000 0.864 78 D CB 1.616 42.387 40.800 -0.049 0.000 1.481 78 D HN 0.407 nan 8.370 nan 0.000 0.509 79 F N 0.663 120.581 119.950 -0.052 0.000 2.378 79 F HA 0.455 5.010 4.527 0.047 0.000 0.325 79 F C 1.652 177.412 175.800 -0.067 0.000 1.097 79 F CA -0.760 57.208 58.000 -0.052 0.000 1.079 79 F CB 1.014 39.994 39.000 -0.033 0.000 1.240 79 F HN 0.443 nan 8.300 nan 0.000 0.519 80 A N 1.454 124.325 122.820 0.086 0.000 2.016 80 A HA 0.535 4.883 4.320 0.047 0.000 0.217 80 A C 0.709 178.293 177.584 0.001 0.000 1.162 80 A CA 1.096 53.135 52.037 0.004 0.000 0.662 80 A CB -0.408 18.558 19.000 -0.058 0.000 0.812 80 A HN 0.743 nan 8.150 nan 0.000 0.450 81 A N -1.015 121.808 122.820 0.007 0.000 2.488 81 A HA 0.652 5.000 4.320 0.047 0.000 0.298 81 A C -1.583 176.094 177.584 0.155 0.000 1.044 81 A CA -0.339 51.711 52.037 0.022 0.000 0.693 81 A CB 1.213 20.087 19.000 -0.212 0.000 1.272 81 A HN 0.518 nan 8.150 nan 0.000 0.402 82 L N 1.216 122.576 121.223 0.229 0.000 2.431 82 L HA 0.848 5.216 4.340 0.047 0.000 0.266 82 L C -0.452 176.617 176.870 0.331 0.000 0.978 82 L CA 0.081 55.042 54.840 0.203 0.000 0.822 82 L CB 1.807 43.834 42.059 -0.054 0.000 1.310 82 L HN 0.971 nan 8.230 nan 0.000 0.409 83 E N 3.300 123.751 120.200 0.420 0.000 2.409 83 E HA 0.258 4.636 4.350 0.047 0.000 0.280 83 E C -1.423 175.255 176.600 0.130 0.000 1.079 83 E CA -0.907 55.691 56.400 0.331 0.000 0.840 83 E CB 1.641 31.367 29.700 0.043 0.000 1.309 83 E HN 0.603 nan 8.360 nan 0.000 0.447 84 M N 3.005 122.408 119.600 -0.329 0.000 2.261 84 M HA 0.157 4.665 4.480 0.047 0.000 0.350 84 M C -2.384 173.688 176.300 -0.380 0.000 1.343 84 M CA -0.800 54.108 55.300 -0.653 0.000 1.003 84 M CB 0.417 32.663 32.600 -0.590 0.000 1.848 84 M HN 0.179 nan 8.290 nan 0.000 0.456 85 P HA 0.096 nan 4.420 nan 0.000 0.266 85 P C -2.299 174.822 177.300 -0.297 0.000 1.195 85 P CA -0.852 62.096 63.100 -0.255 0.000 0.768 85 P CB 0.105 31.672 31.700 -0.221 0.000 0.838 86 P HA -0.054 nan 4.420 nan 0.000 0.214 86 P C 0.066 177.181 177.300 -0.308 0.000 1.162 86 P CA 1.360 64.301 63.100 -0.264 0.000 0.879 86 P CB 0.051 31.626 31.700 -0.208 0.000 0.786 87 L N 0.354 121.412 121.223 -0.275 0.000 2.358 87 L HA 0.241 4.609 4.340 0.047 0.000 0.274 87 L C -0.254 176.216 176.870 -0.666 0.000 1.136 87 L CA -0.383 54.208 54.840 -0.415 0.000 0.970 87 L CB -0.179 41.861 42.059 -0.031 0.000 1.314 87 L HN -0.067 nan 8.230 nan 0.000 0.427 88 I N 2.592 122.571 120.570 -0.985 0.000 2.474 88 I HA 0.490 4.688 4.170 0.047 0.000 0.294 88 I C -0.331 175.095 176.117 -1.152 0.000 1.005 88 I CA -0.639 60.192 61.300 -0.782 0.000 1.113 88 I CB 1.711 39.426 38.000 -0.474 0.000 1.289 88 I HN 0.171 nan 8.210 nan 0.000 0.436 89 F N 3.355 123.179 119.950 -0.211 0.000 2.556 89 F HA 0.404 4.959 4.527 0.046 0.000 0.314 89 F C 0.629 176.298 175.800 -0.218 0.000 1.106 89 F CA -0.878 56.983 58.000 -0.231 0.000 0.911 89 F CB 1.553 40.386 39.000 -0.279 0.000 1.190 89 F HN 0.260 nan 8.300 nan 0.000 0.448 90 E N 2.115 122.292 120.200 -0.039 0.000 2.223 90 E HA 0.465 4.843 4.350 0.047 0.000 0.282 90 E C -0.291 176.219 176.600 -0.150 0.000 1.046 90 E CA -0.292 56.037 56.400 -0.117 0.000 0.857 90 E CB 1.638 31.286 29.700 -0.086 0.000 1.055 90 E HN 0.684 nan 8.360 nan 0.000 0.409 91 A N 5.594 128.220 122.820 -0.324 0.000 2.354 91 A HA 0.479 4.827 4.320 0.047 0.000 0.269 91 A C -2.042 175.426 177.584 -0.193 0.000 1.109 91 A CA -1.177 50.642 52.037 -0.363 0.000 0.800 91 A CB -0.069 18.411 19.000 -0.867 0.000 1.045 91 A HN 0.323 nan 8.150 nan 0.000 0.489 92 P HA 0.171 nan 4.420 nan 0.000 0.274 92 P C 0.169 177.435 177.300 -0.056 0.000 1.237 92 P CA -0.351 62.707 63.100 -0.070 0.000 0.793 92 P CB 0.508 32.181 31.700 -0.044 0.000 0.977 93 S N 0.462 116.105 115.700 -0.095 0.000 2.558 93 S HA -0.001 4.497 4.470 0.047 0.000 0.288 93 S C 1.330 175.882 174.600 -0.080 0.000 1.318 93 S CA -0.538 57.574 58.200 -0.146 0.000 1.056 93 S CB -0.427 62.517 63.200 -0.428 0.000 0.853 93 S HN 0.400 nan 8.310 nan 0.000 0.505 94 L N 4.187 125.427 121.223 0.028 0.000 2.551 94 L HA 0.190 4.558 4.340 0.047 0.000 0.228 94 L C 1.500 178.426 176.870 0.093 0.000 1.153 94 L CA 1.335 56.237 54.840 0.102 0.000 0.851 94 L CB -0.892 41.282 42.059 0.192 0.000 0.959 94 L HN 0.897 nan 8.230 nan 0.000 0.451 95 H N -1.326 117.774 119.070 0.051 0.000 2.581 95 H HA 0.462 5.047 4.556 0.048 0.000 0.275 95 H C -0.407 174.922 175.328 0.001 0.000 1.126 95 H CA -0.578 55.479 56.048 0.016 0.000 1.097 95 H CB 0.279 30.033 29.762 -0.014 0.000 1.626 95 H HN 0.368 nan 8.280 nan 0.000 0.565 96 R N 1.474 121.912 120.500 -0.103 0.000 2.502 96 R HA 0.293 4.661 4.340 0.047 0.000 0.300 96 R C -0.540 175.745 176.300 -0.024 0.000 0.984 96 R CA -0.729 55.339 56.100 -0.053 0.000 0.882 96 R CB 2.338 32.568 30.300 -0.117 0.000 1.180 96 R HN 0.095 nan 8.270 nan 0.000 0.444 97 R N 2.600 123.101 120.500 0.002 0.000 3.710 97 R HA 0.052 4.420 4.340 0.047 0.000 0.201 97 R C -0.065 176.236 176.300 0.001 0.000 1.641 97 R CA 0.034 56.139 56.100 0.007 0.000 1.390 97 R CB -0.145 30.164 30.300 0.015 0.000 1.341 97 R HN 0.644 nan 8.270 nan 0.000 0.728 98 T N -1.817 112.733 114.554 -0.007 0.000 2.847 98 T HA 0.310 4.688 4.350 0.047 0.000 0.279 98 T C 1.517 176.216 174.700 -0.002 0.000 0.984 98 T CA -0.328 61.767 62.100 -0.008 0.000 0.988 98 T CB 1.704 70.562 68.868 -0.016 0.000 1.040 98 T HN 0.324 nan 8.240 nan 0.000 0.528 99 A N -0.175 122.643 122.820 -0.003 0.000 1.933 99 A HA -0.079 4.269 4.320 0.047 0.000 0.218 99 A C 2.297 179.880 177.584 -0.002 0.000 1.175 99 A CA 1.783 53.819 52.037 -0.001 0.000 0.628 99 A CB -1.068 17.931 19.000 -0.003 0.000 0.814 99 A HN 1.017 nan 8.150 nan 0.000 0.444 100 E N -0.638 119.559 120.200 -0.005 0.000 2.047 100 E HA -0.240 4.138 4.350 0.047 0.000 0.191 100 E C 2.292 178.892 176.600 -0.000 0.000 0.987 100 E CA 1.282 57.678 56.400 -0.006 0.000 0.799 100 E CB -0.077 29.617 29.700 -0.009 0.000 0.752 100 E HN 0.460 nan 8.360 nan 0.000 0.449 101 R N 0.276 120.777 120.500 0.002 0.000 2.073 101 R HA -0.094 4.274 4.340 0.047 0.000 0.234 101 R C 2.224 178.540 176.300 0.025 0.000 1.134 101 R CA 2.310 58.419 56.100 0.015 0.000 0.952 101 R CB -0.912 29.393 30.300 0.010 0.000 0.850 101 R HN 0.102 nan 8.270 nan 0.000 0.433 102 T N 0.315 114.880 114.554 0.019 0.000 2.684 102 T HA -0.171 4.207 4.350 0.047 0.000 0.267 102 T C 1.769 176.480 174.700 0.019 0.000 1.036 102 T CA 1.676 63.789 62.100 0.022 0.000 1.148 102 T CB -0.563 68.314 68.868 0.015 0.000 0.863 102 T HN 0.466 nan 8.240 nan 0.000 0.436 103 A N 0.946 123.771 122.820 0.009 0.000 1.902 103 A HA 0.038 4.386 4.320 0.047 0.000 0.217 103 A C 2.323 179.910 177.584 0.005 0.000 1.181 103 A CA 1.161 53.199 52.037 0.002 0.000 0.623 103 A CB -0.751 18.244 19.000 -0.009 0.000 0.818 103 A HN 0.476 nan 8.150 nan 0.000 0.443 104 L N -0.772 120.458 121.223 0.012 0.000 2.044 104 L HA -0.168 4.200 4.340 0.047 0.000 0.205 104 L C 2.595 179.493 176.870 0.046 0.000 1.075 104 L CA 1.500 56.353 54.840 0.021 0.000 0.747 104 L CB -0.698 41.377 42.059 0.025 0.000 0.903 104 L HN 0.463 nan 8.230 nan 0.000 0.435 105 E N 0.223 120.457 120.200 0.058 0.000 2.118 105 E HA -0.213 4.165 4.350 0.047 0.000 0.195 105 E C 1.871 178.506 176.600 0.059 0.000 0.992 105 E CA 1.300 57.745 56.400 0.075 0.000 0.804 105 E CB -0.171 29.578 29.700 0.080 0.000 0.741 105 E HN 0.476 nan 8.360 nan 0.000 0.458 106 N N 0.864 119.586 118.700 0.038 0.000 2.106 106 N HA -0.101 4.667 4.740 0.047 0.000 0.188 106 N C 1.697 177.218 175.510 0.018 0.000 1.029 106 N CA 1.384 54.450 53.050 0.026 0.000 0.848 106 N CB -0.454 38.042 38.487 0.015 0.000 1.007 106 N HN 0.147 nan 8.380 nan 0.000 0.423 107 A N 0.254 123.082 122.820 0.012 0.000 1.933 107 A HA 0.024 4.372 4.320 0.047 0.000 0.218 107 A C 2.313 179.905 177.584 0.014 0.000 1.175 107 A CA 1.873 53.912 52.037 0.002 0.000 0.628 107 A CB -1.133 17.860 19.000 -0.012 0.000 0.814 107 A HN 0.366 nan 8.150 nan 0.000 0.444 108 G N -1.365 107.457 108.800 0.037 0.000 2.403 108 G HA2 -0.061 3.927 3.960 0.047 0.000 0.216 108 G HA3 -0.061 3.927 3.960 0.047 0.000 0.216 108 G C 1.538 176.477 174.900 0.065 0.000 1.154 108 G CA 1.489 46.624 45.100 0.059 0.000 0.784 108 G HN 0.420 nan 8.290 nan 0.000 0.538 109 T N 1.777 116.370 114.554 0.065 0.000 2.746 109 T HA -0.003 4.375 4.350 0.047 0.000 0.267 109 T C 2.799 177.506 174.700 0.011 0.000 1.039 109 T CA 1.446 63.577 62.100 0.051 0.000 1.142 109 T CB -0.310 68.589 68.868 0.052 0.000 0.866 109 T HN 0.353 nan 8.240 nan 0.000 0.444 110 A N 1.533 124.355 122.820 0.003 0.000 1.902 110 A HA -0.036 4.312 4.320 0.047 0.000 0.217 110 A C 2.307 179.875 177.584 -0.026 0.000 1.181 110 A CA 1.480 53.507 52.037 -0.017 0.000 0.623 110 A CB -0.705 18.284 19.000 -0.018 0.000 0.818 110 A HN 0.475 nan 8.150 nan 0.000 0.443 111 M N -0.494 119.097 119.600 -0.015 0.000 2.279 111 M HA -0.076 4.432 4.480 0.047 0.000 0.264 111 M C 1.833 178.114 176.300 -0.032 0.000 1.062 111 M CA 0.974 56.258 55.300 -0.027 0.000 1.099 111 M CB -0.498 32.094 32.600 -0.013 0.000 1.394 111 M HN 0.350 nan 8.290 nan 0.000 0.426 112 L N -0.841 120.380 121.223 -0.004 0.000 2.187 112 L HA -0.242 4.126 4.340 0.047 0.000 0.213 112 L C 2.359 179.228 176.870 -0.001 0.000 1.100 112 L CA 0.728 55.577 54.840 0.014 0.000 0.765 112 L CB -0.690 41.374 42.059 0.009 0.000 0.904 112 L HN 0.439 nan 8.230 nan 0.000 0.437 113 C N -0.325 118.952 119.300 -0.039 0.000 2.422 113 C HA -0.116 4.372 4.460 0.047 0.000 0.286 113 C C 1.877 176.791 174.990 -0.126 0.000 1.412 113 C CA 0.704 59.688 59.018 -0.057 0.000 1.786 113 C CB -0.895 26.797 27.740 -0.080 0.000 1.835 113 C HN 0.347 nan 8.230 nan 0.000 0.533 114 K N 0.047 120.356 120.400 -0.152 0.000 2.896 114 K HA 0.137 4.485 4.320 0.047 0.000 0.210 114 K C -0.498 176.081 176.600 -0.035 0.000 1.116 114 K CA 0.093 56.200 56.287 -0.299 0.000 1.050 114 K CB 0.755 33.081 32.500 -0.289 0.000 0.812 114 K HN 0.259 nan 8.250 nan 0.000 0.462 115 T N 0.821 115.371 114.554 -0.007 0.000 2.792 115 T HA 0.273 4.651 4.350 0.047 0.000 0.280 115 T C -0.110 174.242 174.700 -0.579 0.000 0.990 115 T CA -0.509 61.398 62.100 -0.322 0.000 0.960 115 T CB 2.134 70.650 68.868 -0.588 0.000 0.939 115 T HN -0.171 nan 8.240 nan 0.000 0.439 116 V N 4.362 123.844 119.914 -0.721 0.000 2.498 116 V HA 0.423 4.571 4.120 0.047 0.000 0.279 116 V C -0.503 174.938 176.094 -1.088 0.000 1.048 116 V CA -0.450 61.239 62.300 -1.019 0.000 0.967 116 V CB 0.131 31.133 31.823 -1.369 0.000 0.988 116 V HN 0.721 nan 8.190 nan 0.000 0.473 117 F N 3.328 122.868 119.950 -0.683 0.000 2.450 117 F HA 0.684 5.239 4.527 0.047 0.000 0.332 117 F C 0.035 175.210 175.800 -1.040 0.000 1.093 117 F CA -0.796 56.720 58.000 -0.807 0.000 1.003 117 F CB 1.857 40.332 39.000 -0.876 0.000 1.151 117 F HN 0.137 nan 8.300 nan 0.000 0.474 118 V N 4.405 123.872 119.914 -0.744 0.000 2.482 118 V HA 0.368 4.516 4.120 0.047 0.000 0.295 118 V C -1.109 174.752 176.094 -0.389 0.000 1.026 118 V CA -0.678 61.233 62.300 -0.649 0.000 0.856 118 V CB 1.815 33.043 31.823 -0.991 0.000 1.001 118 V HN 0.546 nan 8.190 nan 0.000 0.424 119 L N 7.676 128.777 121.223 -0.203 0.000 2.280 119 L HA 0.688 5.056 4.340 0.047 0.000 0.287 119 L C -0.066 176.843 176.870 0.065 0.000 1.023 119 L CA -0.245 54.577 54.840 -0.030 0.000 0.819 119 L CB 1.691 43.859 42.059 0.181 0.000 1.212 119 L HN 0.591 nan 8.230 nan 0.000 0.420 120 V N 3.434 123.383 119.914 0.059 0.000 2.408 120 V HA 0.831 4.979 4.120 0.047 0.000 0.267 120 V C 0.532 176.685 176.094 0.097 0.000 1.047 120 V CA 0.325 62.683 62.300 0.096 0.000 0.937 120 V CB 0.448 32.331 31.823 0.100 0.000 0.999 120 V HN 1.033 nan 8.190 nan 0.000 0.472 121 A N 3.566 126.459 122.820 0.122 0.000 3.045 121 A HA 0.711 5.059 4.320 0.047 0.000 0.244 121 A C 1.110 178.767 177.584 0.121 0.000 0.917 121 A CA 0.228 52.338 52.037 0.122 0.000 1.075 121 A CB 0.256 19.343 19.000 0.144 0.000 1.202 121 A HN 1.185 nan 8.150 nan 0.000 0.486 122 G N -0.292 108.579 108.800 0.119 0.000 2.833 122 G HA2 0.391 4.379 3.960 0.047 0.000 0.210 122 G HA3 0.391 4.379 3.960 0.047 0.000 0.210 122 G C 0.830 175.788 174.900 0.096 0.000 1.139 122 G CA 0.590 45.757 45.100 0.111 0.000 0.771 122 G HN 0.848 nan 8.290 nan 0.000 0.535 123 G N 0.230 109.089 108.800 0.098 0.000 2.491 123 G HA2 0.415 4.403 3.960 0.047 0.000 0.242 123 G HA3 0.415 4.403 3.960 0.047 0.000 0.242 123 G C -0.020 174.925 174.900 0.074 0.000 1.266 123 G CA -0.468 44.683 45.100 0.086 0.000 0.844 123 G HN 0.250 nan 8.290 nan 0.000 0.571 124 L N 1.040 122.301 121.223 0.064 0.000 2.439 124 L HA 0.359 4.727 4.340 0.047 0.000 0.269 124 L C 1.480 178.388 176.870 0.064 0.000 1.179 124 L CA 0.012 54.886 54.840 0.057 0.000 0.828 124 L CB 1.247 43.333 42.059 0.045 0.000 1.106 124 L HN 0.662 nan 8.230 nan 0.000 0.467 125 G N 0.728 109.573 108.800 0.075 0.000 3.774 125 G HA2 0.085 4.073 3.960 0.047 0.000 0.287 125 G HA3 0.085 4.073 3.960 0.047 0.000 0.287 125 G C 0.797 175.761 174.900 0.107 0.000 1.030 125 G CA -0.228 44.935 45.100 0.105 0.000 0.824 125 G HN 0.623 nan 8.290 nan 0.000 0.518 126 E N 0.941 121.181 120.200 0.067 0.000 2.060 126 E HA -0.075 4.303 4.350 0.047 0.000 0.189 126 E C 2.303 178.938 176.600 0.057 0.000 0.974 126 E CA 0.209 56.641 56.400 0.054 0.000 0.808 126 E CB -0.164 29.555 29.700 0.032 0.000 0.768 126 E HN 0.505 nan 8.360 nan 0.000 0.453 127 R N 1.202 121.733 120.500 0.052 0.000 2.257 127 R HA -0.201 4.167 4.340 0.047 0.000 0.265 127 R C 2.069 178.402 176.300 0.054 0.000 1.191 127 R CA 1.282 57.412 56.100 0.050 0.000 1.010 127 R CB -0.383 29.946 30.300 0.049 0.000 0.883 127 R HN 0.177 nan 8.270 nan 0.000 0.473 128 L N -0.700 120.561 121.223 0.063 0.000 2.341 128 L HA 0.126 4.494 4.340 0.047 0.000 0.214 128 L C 1.185 178.101 176.870 0.076 0.000 1.115 128 L CA 0.712 55.591 54.840 0.064 0.000 0.820 128 L CB 0.007 42.106 42.059 0.067 0.000 0.944 128 L HN 0.664 nan 8.230 nan 0.000 0.452 129 G N -0.206 108.645 108.800 0.085 0.000 2.212 129 G HA2 -0.341 3.647 3.960 0.047 0.000 0.255 129 G HA3 -0.341 3.647 3.960 0.047 0.000 0.255 129 G C -0.287 174.695 174.900 0.137 0.000 1.062 129 G CA -0.092 45.056 45.100 0.080 0.000 0.815 129 G HN 0.377 nan 8.290 nan 0.000 0.497 130 Y N 0.765 121.060 120.300 -0.007 0.000 2.326 130 Y HA 0.488 5.067 4.550 0.048 0.000 0.331 130 Y C 1.245 177.142 175.900 -0.005 0.000 0.962 130 Y CA -0.237 57.856 58.100 -0.012 0.000 1.167 130 Y CB 1.634 40.085 38.460 -0.015 0.000 1.148 130 Y HN 0.408 nan 8.280 nan 0.000 0.463 131 S N 1.537 117.005 115.700 -0.386 0.000 2.593 131 S HA 0.174 4.672 4.470 0.047 0.000 0.217 131 S C 0.274 174.629 174.600 -0.407 0.000 0.966 131 S CA -0.084 57.939 58.200 -0.296 0.000 0.914 131 S CB -0.051 63.037 63.200 -0.187 0.000 0.776 131 S HN 0.388 nan 8.310 nan 0.000 0.523 132 S N 1.515 116.724 115.700 -0.818 0.000 2.768 132 S HA 0.633 5.131 4.470 0.047 0.000 0.300 132 S C 0.280 174.769 174.600 -0.185 0.000 1.122 132 S CA -0.999 56.898 58.200 -0.505 0.000 0.995 132 S CB 0.768 63.647 63.200 -0.534 0.000 1.195 132 S HN 0.589 nan 8.310 nan 0.000 0.547 133 I N -0.022 120.557 120.570 0.016 0.000 2.696 133 I HA 0.287 4.485 4.170 0.047 0.000 0.284 133 I C 1.019 177.294 176.117 0.263 0.000 1.129 133 I CA -0.454 60.921 61.300 0.125 0.000 1.410 133 I CB 0.541 38.593 38.000 0.087 0.000 1.399 133 I HN 0.472 nan 8.210 nan 0.000 0.579 134 K N 3.657 124.174 120.400 0.194 0.000 2.103 134 K HA -0.107 4.241 4.320 0.047 0.000 0.207 134 K C 1.857 178.512 176.600 0.093 0.000 1.048 134 K CA 1.805 58.170 56.287 0.130 0.000 0.930 134 K CB -0.282 32.243 32.500 0.042 0.000 0.716 134 K HN 0.863 nan 8.250 nan 0.000 0.444 135 V N -0.437 119.551 119.914 0.123 0.000 3.305 135 V HA -0.083 4.065 4.120 0.047 0.000 0.269 135 V C 1.885 178.069 176.094 0.150 0.000 1.157 135 V CA 1.759 64.153 62.300 0.156 0.000 1.157 135 V CB -0.567 31.366 31.823 0.182 0.000 0.772 135 V HN 0.215 nan 8.190 nan 0.000 0.498 136 S N -0.402 115.392 115.700 0.156 0.000 2.593 136 S HA 0.295 4.793 4.470 0.047 0.000 0.217 136 S C 0.652 175.314 174.600 0.103 0.000 0.966 136 S CA -0.282 58.001 58.200 0.138 0.000 0.914 136 S CB -0.705 62.596 63.200 0.170 0.000 0.776 136 S HN 0.571 nan 8.310 nan 0.000 0.523 137 L N 2.957 124.209 121.223 0.049 0.000 2.483 137 L HA 0.296 4.664 4.340 0.047 0.000 0.276 137 L C -2.161 174.663 176.870 -0.078 0.000 1.213 137 L CA -1.812 52.947 54.840 -0.135 0.000 0.843 137 L CB 0.234 42.205 42.059 -0.146 0.000 1.107 137 L HN 0.114 nan 8.230 nan 0.000 0.487 138 P HA 0.071 nan 4.420 nan 0.000 0.284 138 P C 0.676 177.662 177.300 -0.524 0.000 1.253 138 P CA -0.416 62.496 63.100 -0.312 0.000 0.800 138 P CB 1.443 32.999 31.700 -0.239 0.000 0.961 139 V N 1.364 120.722 119.914 -0.928 0.000 2.407 139 V HA -0.174 3.974 4.120 0.047 0.000 0.248 139 V C 0.887 176.428 176.094 -0.923 0.000 1.055 139 V CA 2.028 63.540 62.300 -1.313 0.000 1.049 139 V CB -1.229 29.527 31.823 -1.779 0.000 0.662 139 V HN 0.730 nan 8.190 nan 0.000 0.455 140 E N -2.338 117.448 120.200 -0.690 0.000 2.407 140 E HA 0.340 4.718 4.350 0.047 0.000 0.279 140 E C -0.010 176.483 176.600 -0.178 0.000 1.012 140 E CA 0.021 56.162 56.400 -0.431 0.000 0.800 140 E CB 0.860 30.258 29.700 -0.504 0.000 1.276 140 E HN 0.032 nan 8.360 nan 0.000 0.452 141 T N -2.360 112.193 114.554 -0.002 0.000 3.086 141 T HA 0.349 4.727 4.350 0.047 0.000 0.250 141 T C 1.492 176.242 174.700 0.084 0.000 1.074 141 T CA 0.349 62.457 62.100 0.014 0.000 0.988 141 T CB 0.017 68.892 68.868 0.012 0.000 0.988 141 T HN 0.546 nan 8.240 nan 0.000 0.530 142 A N 2.597 125.561 122.820 0.239 0.000 1.883 142 A HA -0.068 4.280 4.320 0.047 0.000 0.217 142 A C 2.609 180.353 177.584 0.267 0.000 1.186 142 A CA 2.300 54.553 52.037 0.359 0.000 0.624 142 A CB -1.184 18.084 19.000 0.447 0.000 0.822 142 A HN 0.702 nan 8.150 nan 0.000 0.444 143 T N -5.938 108.707 114.554 0.152 0.000 2.971 143 T HA 0.128 4.506 4.350 0.047 0.000 0.252 143 T C 0.662 175.366 174.700 0.007 0.000 1.022 143 T CA 0.663 62.816 62.100 0.089 0.000 0.980 143 T CB -0.074 68.834 68.868 0.067 0.000 1.044 143 T HN 0.420 nan 8.240 nan 0.000 0.501 144 N N 1.105 119.780 118.700 -0.041 0.000 2.753 144 N HA -0.124 4.644 4.740 0.047 0.000 0.251 144 N C -0.581 174.854 175.510 -0.125 0.000 1.097 144 N CA 1.298 54.294 53.050 -0.089 0.000 0.786 144 N CB -2.198 36.256 38.487 -0.056 0.000 1.137 144 N HN 0.550 nan 8.380 nan 0.000 0.566 145 T N 1.708 116.171 114.554 -0.151 0.000 2.831 145 T HA 0.148 4.526 4.350 0.047 0.000 0.291 145 T C 1.191 175.729 174.700 -0.271 0.000 0.981 145 T CA 0.587 62.586 62.100 -0.168 0.000 1.174 145 T CB 0.447 69.225 68.868 -0.150 0.000 0.929 145 T HN 0.333 nan 8.240 nan 0.000 0.532 146 T N 1.852 116.295 114.554 -0.185 0.000 2.868 146 T HA 0.192 4.570 4.350 0.047 0.000 0.292 146 T C 1.024 175.573 174.700 -0.252 0.000 1.028 146 T CA -0.667 61.327 62.100 -0.177 0.000 1.059 146 T CB 0.422 69.258 68.868 -0.053 0.000 0.991 146 T HN 0.489 nan 8.240 nan 0.000 0.531 147 Y N 0.591 120.735 120.300 -0.260 0.000 2.151 147 Y HA -0.094 4.483 4.550 0.045 0.000 0.284 147 Y C 2.313 178.031 175.900 -0.305 0.000 1.166 147 Y CA 1.532 59.386 58.100 -0.409 0.000 1.163 147 Y CB -0.535 37.735 38.460 -0.316 0.000 0.974 147 Y HN 0.574 nan 8.280 nan 0.000 0.511 148 L N 0.011 121.275 121.223 0.069 0.000 1.994 148 L HA -0.190 4.178 4.340 0.047 0.000 0.208 148 L C 2.403 179.291 176.870 0.029 0.000 1.071 148 L CA 2.137 57.046 54.840 0.114 0.000 0.745 148 L CB -1.138 40.969 42.059 0.082 0.000 0.892 148 L HN 0.136 nan 8.230 nan 0.000 0.431 149 A N -1.524 121.283 122.820 -0.021 0.000 1.902 149 A HA -0.287 4.061 4.320 0.047 0.000 0.217 149 A C 2.314 179.886 177.584 -0.021 0.000 1.181 149 A CA 1.804 53.819 52.037 -0.036 0.000 0.623 149 A CB -1.273 17.703 19.000 -0.040 0.000 0.818 149 A HN 0.656 nan 8.150 nan 0.000 0.443 150 Y N -0.586 119.589 120.300 -0.208 0.000 2.128 150 Y HA -0.301 4.278 4.550 0.050 0.000 0.284 150 Y C 2.199 178.064 175.900 -0.058 0.000 1.154 150 Y CA 2.163 60.127 58.100 -0.227 0.000 1.149 150 Y CB -0.501 37.666 38.460 -0.488 0.000 0.976 150 Y HN 0.387 nan 8.280 nan 0.000 0.505 151 Y N -0.250 120.110 120.300 0.100 0.000 2.200 151 Y HA -0.209 4.369 4.550 0.048 0.000 0.290 151 Y C 2.452 178.367 175.900 0.025 0.000 1.137 151 Y CA 1.363 59.519 58.100 0.093 0.000 1.163 151 Y CB -1.016 37.609 38.460 0.274 0.000 0.988 151 Y HN 0.147 nan 8.280 nan 0.000 0.518 152 L N -0.703 120.528 121.223 0.013 0.000 2.072 152 L HA -0.164 4.204 4.340 0.047 0.000 0.205 152 L C 2.533 179.322 176.870 -0.135 0.000 1.079 152 L CA 1.182 55.867 54.840 -0.258 0.000 0.752 152 L CB -0.428 41.424 42.059 -0.346 0.000 0.906 152 L HN 0.094 nan 8.230 nan 0.000 0.436 153 R N -1.072 119.382 120.500 -0.077 0.000 2.115 153 R HA -0.211 4.157 4.340 0.047 0.000 0.230 153 R C 2.071 178.347 176.300 -0.040 0.000 1.111 153 R CA 1.692 57.755 56.100 -0.061 0.000 0.976 153 R CB -0.386 29.889 30.300 -0.042 0.000 0.870 153 R HN 0.420 nan 8.270 nan 0.000 0.445 154 W N 1.314 122.475 121.300 -0.230 0.000 2.379 154 W HA -0.098 4.591 4.660 0.049 0.000 0.307 154 W C 2.195 178.585 176.519 -0.216 0.000 1.200 154 W CA 1.585 58.787 57.345 -0.237 0.000 1.297 154 W CB -0.305 28.955 29.460 -0.333 0.000 1.140 154 W HN 0.046 nan 8.180 nan 0.000 0.507 155 A N 0.068 122.746 122.820 -0.237 0.000 1.933 155 A HA -0.252 4.096 4.320 0.047 0.000 0.218 155 A C 1.897 179.303 177.584 -0.298 0.000 1.175 155 A CA 1.909 53.627 52.037 -0.531 0.000 0.628 155 A CB -0.803 17.997 19.000 -0.332 0.000 0.814 155 A HN 0.549 nan 8.150 nan 0.000 0.444 156 Q N -1.303 118.389 119.800 -0.181 0.000 2.230 156 Q HA -0.152 4.216 4.340 0.047 0.000 0.202 156 Q C 2.270 178.186 176.000 -0.140 0.000 0.963 156 Q CA 1.341 57.074 55.803 -0.117 0.000 0.866 156 Q CB -0.091 28.593 28.738 -0.088 0.000 0.931 156 Q HN 0.632 nan 8.270 nan 0.000 0.452 157 R N 0.988 121.369 120.500 -0.199 0.000 2.066 157 R HA -0.117 4.251 4.340 0.047 0.000 0.232 157 R C 2.029 178.181 176.300 -0.246 0.000 1.131 157 R CA 1.895 57.880 56.100 -0.192 0.000 0.955 157 R CB -0.710 29.481 30.300 -0.182 0.000 0.851 157 R HN 0.222 nan 8.270 nan 0.000 0.432 158 V N -2.353 117.300 119.914 -0.435 0.000 2.951 158 V HA 0.319 4.467 4.120 0.047 0.000 0.255 158 V C 1.558 177.536 176.094 -0.193 0.000 1.088 158 V CA 1.472 63.537 62.300 -0.392 0.000 1.109 158 V CB -0.047 31.350 31.823 -0.711 0.000 0.724 158 V HN 0.351 nan 8.190 nan 0.000 0.471 159 G N -0.868 107.855 108.800 -0.128 0.000 3.377 159 G HA2 0.535 4.523 3.960 0.047 0.000 0.257 159 G HA3 0.535 4.523 3.960 0.047 0.000 0.257 159 G C 0.780 175.697 174.900 0.028 0.000 1.038 159 G CA 0.382 45.496 45.100 0.024 0.000 0.809 159 G HN 1.449 nan 8.290 nan 0.000 0.526 160 G N 0.326 109.111 108.800 -0.025 0.000 2.787 160 G HA2 -0.241 3.747 3.960 0.047 0.000 0.685 160 G HA3 -0.241 3.747 3.960 0.047 0.000 0.685 160 G C 0.623 175.523 174.900 -0.001 0.000 1.437 160 G CA 0.149 45.243 45.100 -0.011 0.000 0.872 160 G HN 0.326 nan 8.290 nan 0.000 0.566 161 K N -0.028 120.370 120.400 -0.004 0.000 2.127 161 K HA -0.170 4.178 4.320 0.047 0.000 0.208 161 K C 1.764 178.373 176.600 0.015 0.000 1.047 161 K CA 2.210 58.493 56.287 -0.005 0.000 0.927 161 K CB -0.068 32.428 32.500 -0.005 0.000 0.716 161 K HN 0.469 nan 8.250 nan 0.000 0.450 162 E N 0.518 120.743 120.200 0.041 0.000 2.403 162 E HA 0.023 4.401 4.350 0.047 0.000 0.187 162 E C -0.580 176.075 176.600 0.091 0.000 1.073 162 E CA -0.153 56.286 56.400 0.064 0.000 0.888 162 E CB 0.609 30.357 29.700 0.080 0.000 1.035 162 E HN 0.041 nan 8.360 nan 0.000 0.471 163 V N 2.387 122.357 119.914 0.094 0.000 2.644 163 V HA 0.032 4.180 4.120 0.047 0.000 0.305 163 V C -2.312 173.837 176.094 0.093 0.000 1.053 163 V CA -1.494 60.884 62.300 0.129 0.000 1.186 163 V CB 0.732 32.659 31.823 0.174 0.000 0.895 163 V HN 0.105 nan 8.190 nan 0.000 0.490 164 P HA 0.326 nan 4.420 nan 0.000 0.282 164 P C -1.257 176.030 177.300 -0.022 0.000 1.262 164 P CA 0.129 63.147 63.100 -0.137 0.000 0.773 164 P CB 0.339 31.596 31.700 -0.740 0.000 0.879 165 F N 3.565 123.516 119.950 0.001 0.000 2.574 165 F HA 0.448 5.003 4.527 0.046 0.000 0.313 165 F C -1.319 174.541 175.800 0.100 0.000 1.130 165 F CA -0.857 57.161 58.000 0.031 0.000 0.936 165 F CB 1.681 40.706 39.000 0.042 0.000 1.219 165 F HN -0.019 nan 8.300 nan 0.000 0.445 166 V N 6.704 126.708 119.914 0.151 0.000 2.555 166 V HA 0.523 4.671 4.120 0.047 0.000 0.302 166 V C -0.316 175.937 176.094 0.265 0.000 1.038 166 V CA -0.688 61.759 62.300 0.244 0.000 0.887 166 V CB 1.914 33.820 31.823 0.139 0.000 0.991 166 V HN 0.551 nan 8.190 nan 0.000 0.434 167 I N 4.867 125.620 120.570 0.304 0.000 2.389 167 I HA 0.456 4.654 4.170 0.047 0.000 0.288 167 I C -0.155 176.082 176.117 0.201 0.000 0.999 167 I CA -0.326 61.130 61.300 0.261 0.000 1.129 167 I CB 1.754 39.911 38.000 0.261 0.000 1.288 167 I HN 0.548 nan 8.210 nan 0.000 0.444 168 M N 6.972 126.674 119.600 0.169 0.000 2.146 168 M HA 0.351 4.859 4.480 0.047 0.000 0.357 168 M C -0.086 176.310 176.300 0.161 0.000 1.261 168 M CA 0.023 55.418 55.300 0.158 0.000 1.106 168 M CB 0.786 33.471 32.600 0.141 0.000 1.612 168 M HN 0.783 nan 8.290 nan 0.000 0.470 169 T N 1.219 115.878 114.554 0.175 0.000 2.905 169 T HA 0.875 5.253 4.350 0.047 0.000 0.283 169 T C -0.271 174.515 174.700 0.142 0.000 1.031 169 T CA -0.628 61.583 62.100 0.185 0.000 1.002 169 T CB 1.650 70.697 68.868 0.299 0.000 1.200 169 T HN 0.729 nan 8.240 nan 0.000 0.560 170 S N -0.979 114.801 115.700 0.134 0.000 2.732 170 S HA 0.455 4.953 4.470 0.047 0.000 0.293 170 S C 0.115 174.770 174.600 0.092 0.000 1.159 170 S CA -0.744 57.507 58.200 0.085 0.000 0.847 170 S CB 1.238 64.482 63.200 0.074 0.000 1.169 170 S HN 0.586 nan 8.310 nan 0.000 0.501 171 D N 1.411 121.840 120.400 0.049 0.000 2.133 171 D HA -0.155 4.513 4.640 0.047 0.000 0.192 171 D C 1.319 177.663 176.300 0.072 0.000 1.001 171 D CA 1.870 55.901 54.000 0.050 0.000 0.844 171 D CB -0.481 40.334 40.800 0.024 0.000 0.944 171 D HN 0.626 nan 8.370 nan 0.000 0.447 172 D N -0.182 120.255 120.400 0.062 0.000 2.092 172 D HA -0.132 4.536 4.640 0.047 0.000 0.193 172 D C 2.037 178.378 176.300 0.068 0.000 0.994 172 D CA 2.214 56.247 54.000 0.055 0.000 0.828 172 D CB -0.287 40.542 40.800 0.047 0.000 0.963 172 D HN 0.379 nan 8.370 nan 0.000 0.450 173 T N -2.612 111.998 114.554 0.093 0.000 3.040 173 T HA -0.034 4.344 4.350 0.047 0.000 0.250 173 T C 1.653 176.413 174.700 0.100 0.000 1.058 173 T CA 0.013 62.167 62.100 0.089 0.000 0.988 173 T CB 0.116 69.041 68.868 0.095 0.000 0.993 173 T HN 0.204 nan 8.240 nan 0.000 0.519 174 H N 1.857 120.951 119.070 0.040 0.000 2.276 174 H HA -0.079 4.505 4.556 0.047 0.000 0.301 174 H C 1.408 176.756 175.328 0.034 0.000 1.073 174 H CA 1.978 58.051 56.048 0.042 0.000 1.311 174 H CB -0.131 29.654 29.762 0.040 0.000 1.379 174 H HN 0.269 nan 8.280 nan 0.000 0.494 175 D N 0.496 120.880 120.400 -0.027 0.000 2.123 175 D HA -0.129 4.539 4.640 0.047 0.000 0.196 175 D C 2.467 178.717 176.300 -0.083 0.000 0.992 175 D CA 0.900 54.855 54.000 -0.074 0.000 0.833 175 D CB -0.241 40.574 40.800 0.026 0.000 0.954 175 D HN 0.383 nan 8.370 nan 0.000 0.455 176 R N 0.011 120.489 120.500 -0.037 0.000 2.148 176 R HA -0.032 4.336 4.340 0.047 0.000 0.227 176 R C 2.226 178.505 176.300 -0.035 0.000 1.103 176 R CA 1.033 57.117 56.100 -0.027 0.000 0.983 176 R CB -0.141 30.153 30.300 -0.009 0.000 0.874 176 R HN 0.138 nan 8.270 nan 0.000 0.451 177 T N 1.384 115.905 114.554 -0.056 0.000 2.737 177 T HA -0.044 4.334 4.350 0.047 0.000 0.265 177 T C 1.843 176.492 174.700 -0.086 0.000 1.038 177 T CA 0.860 62.929 62.100 -0.050 0.000 1.144 177 T CB -0.080 68.769 68.868 -0.031 0.000 0.866 177 T HN 0.126 nan 8.240 nan 0.000 0.434 178 L N 1.072 122.197 121.223 -0.164 0.000 2.079 178 L HA -0.173 4.195 4.340 0.047 0.000 0.210 178 L C 2.933 179.757 176.870 -0.077 0.000 1.081 178 L CA 1.544 56.302 54.840 -0.136 0.000 0.752 178 L CB -0.672 41.273 42.059 -0.190 0.000 0.896 178 L HN 0.388 nan 8.230 nan 0.000 0.433 179 Q N 0.387 120.147 119.800 -0.065 0.000 2.084 179 Q HA -0.253 4.115 4.340 0.047 0.000 0.202 179 Q C 2.318 178.300 176.000 -0.030 0.000 0.978 179 Q CA 1.557 57.336 55.803 -0.040 0.000 0.844 179 Q CB -0.093 28.626 28.738 -0.031 0.000 0.898 179 Q HN 0.376 nan 8.270 nan 0.000 0.426 180 L N 0.660 121.867 121.223 -0.026 0.000 2.056 180 L HA -0.127 4.241 4.340 0.047 0.000 0.207 180 L C 2.143 178.998 176.870 -0.024 0.000 1.078 180 L CA 1.452 56.282 54.840 -0.016 0.000 0.749 180 L CB -0.474 41.586 42.059 0.001 0.000 0.901 180 L HN 0.328 nan 8.230 nan 0.000 0.433 181 L N -0.669 120.534 121.223 -0.034 0.000 2.013 181 L HA -0.292 4.076 4.340 0.047 0.000 0.212 181 L C 2.820 179.667 176.870 -0.038 0.000 1.073 181 L CA 1.955 56.769 54.840 -0.043 0.000 0.753 181 L CB -0.620 41.409 42.059 -0.051 0.000 0.890 181 L HN 0.313 nan 8.230 nan 0.000 0.432 182 R N 0.318 120.797 120.500 -0.035 0.000 2.073 182 R HA -0.183 4.185 4.340 0.047 0.000 0.234 182 R C 2.167 178.453 176.300 -0.023 0.000 1.134 182 R CA 1.754 57.837 56.100 -0.029 0.000 0.952 182 R CB -0.111 30.173 30.300 -0.027 0.000 0.850 182 R HN 0.391 nan 8.270 nan 0.000 0.433 183 E N 0.287 120.475 120.200 -0.021 0.000 2.153 183 E HA -0.145 4.233 4.350 0.047 0.000 0.194 183 E C 1.777 178.367 176.600 -0.017 0.000 0.988 183 E CA 0.973 57.364 56.400 -0.017 0.000 0.811 183 E CB 0.029 29.721 29.700 -0.013 0.000 0.746 183 E HN 0.381 nan 8.360 nan 0.000 0.466 184 L N 0.342 121.553 121.223 -0.021 0.000 2.599 184 L HA -0.018 4.350 4.340 0.047 0.000 0.230 184 L C 0.390 177.245 176.870 -0.025 0.000 1.141 184 L CA 0.277 55.103 54.840 -0.023 0.000 0.877 184 L CB -0.203 41.839 42.059 -0.028 0.000 1.009 184 L HN 0.153 nan 8.230 nan 0.000 0.447 185 Q N -0.101 119.684 119.800 -0.025 0.000 2.461 185 Q HA -0.209 4.159 4.340 0.047 0.000 0.264 185 Q C -0.154 175.826 176.000 -0.033 0.000 1.085 185 Q CA 0.352 56.139 55.803 -0.025 0.000 1.006 185 Q CB -1.808 26.918 28.738 -0.019 0.000 1.437 185 Q HN 0.468 nan 8.270 nan 0.000 0.514 186 L N 1.341 122.539 121.223 -0.042 0.000 2.477 186 L HA 0.043 4.411 4.340 0.047 0.000 0.272 186 L C 0.688 177.524 176.870 -0.057 0.000 1.157 186 L CA 0.959 55.765 54.840 -0.057 0.000 0.889 186 L CB 0.350 42.364 42.059 -0.075 0.000 1.158 186 L HN 0.107 nan 8.230 nan 0.000 0.473 187 E N 3.723 123.890 120.200 -0.055 0.000 2.207 187 E HA 0.331 4.709 4.350 0.047 0.000 0.250 187 E C -1.240 175.327 176.600 -0.056 0.000 0.890 187 E CA -0.359 56.011 56.400 -0.049 0.000 0.749 187 E CB 1.836 31.515 29.700 -0.035 0.000 1.193 187 E HN 0.265 nan 8.360 nan 0.000 0.423 188 V N 4.731 124.606 119.914 -0.066 0.000 2.327 188 V HA 0.163 4.311 4.120 0.047 0.000 0.272 188 V C -1.849 174.211 176.094 -0.056 0.000 1.019 188 V CA -1.378 60.880 62.300 -0.070 0.000 0.814 188 V CB 1.016 32.768 31.823 -0.119 0.000 1.040 188 V HN 0.499 nan 8.190 nan 0.000 0.440 189 P HA -0.059 nan 4.420 nan 0.000 0.216 189 P C 0.771 178.044 177.300 -0.045 0.000 1.150 189 P CA 1.148 64.231 63.100 -0.029 0.000 0.837 189 P CB 0.210 31.908 31.700 -0.003 0.000 0.786 190 N N -0.420 118.269 118.700 -0.018 0.000 2.376 190 N HA 0.115 4.883 4.740 0.047 0.000 0.249 190 N C -0.162 175.319 175.510 -0.048 0.000 1.140 190 N CA -0.276 52.770 53.050 -0.007 0.000 0.870 190 N CB -0.038 38.518 38.487 0.115 0.000 1.124 190 N HN 0.125 nan 8.380 nan 0.000 0.505 191 L N 1.855 123.003 121.223 -0.125 0.000 2.331 191 L HA 0.195 4.563 4.340 0.047 0.000 0.278 191 L C -0.293 176.397 176.870 -0.301 0.000 1.106 191 L CA -0.126 54.678 54.840 -0.060 0.000 0.824 191 L CB 0.310 42.340 42.059 -0.048 0.000 1.142 191 L HN 0.187 nan 8.230 nan 0.000 0.443 192 H N 4.915 124.096 119.070 0.183 0.000 2.539 192 H HA 0.387 4.971 4.556 0.047 0.000 0.332 192 H C -0.982 174.444 175.328 0.164 0.000 1.031 192 H CA -0.741 55.399 56.048 0.154 0.000 1.206 192 H CB 1.737 31.593 29.762 0.157 0.000 1.446 192 H HN 0.364 nan 8.280 nan 0.000 0.496 193 V N 6.079 126.125 119.914 0.221 0.000 2.348 193 V HA 0.195 4.343 4.120 0.047 0.000 0.270 193 V C 0.254 176.480 176.094 0.219 0.000 1.037 193 V CA -0.434 61.995 62.300 0.214 0.000 0.872 193 V CB 0.866 32.797 31.823 0.180 0.000 1.002 193 V HN 0.495 nan 8.190 nan 0.000 0.464 194 L N 5.433 126.774 121.223 0.196 0.000 2.319 194 L HA 0.568 4.936 4.340 0.047 0.000 0.281 194 L C -0.016 176.918 176.870 0.107 0.000 1.005 194 L CA -0.518 54.404 54.840 0.136 0.000 0.828 194 L CB 1.665 43.800 42.059 0.127 0.000 1.227 194 L HN 0.523 nan 8.230 nan 0.000 0.415 195 K N 4.436 124.853 120.400 0.028 0.000 2.211 195 K HA 0.267 4.615 4.320 0.047 0.000 0.275 195 K C -0.222 176.371 176.600 -0.011 0.000 1.024 195 K CA -0.577 55.691 56.287 -0.032 0.000 0.887 195 K CB 1.120 33.447 32.500 -0.288 0.000 1.084 195 K HN 0.629 nan 8.250 nan 0.000 0.463 196 Q N 2.632 122.449 119.800 0.028 0.000 2.327 196 Q HA 0.305 4.673 4.340 0.047 0.000 0.254 196 Q C -0.132 175.873 176.000 0.009 0.000 0.952 196 Q CA -0.778 55.047 55.803 0.036 0.000 0.884 196 Q CB 1.240 30.023 28.738 0.075 0.000 1.224 196 Q HN 0.648 nan 8.270 nan 0.000 0.422 197 G N 2.002 110.801 108.800 -0.001 0.000 2.425 197 G HA2 0.281 4.269 3.960 0.047 0.000 0.302 197 G HA3 0.281 4.269 3.960 0.047 0.000 0.302 197 G C -0.758 174.131 174.900 -0.018 0.000 1.159 197 G CA -0.652 44.433 45.100 -0.025 0.000 0.865 197 G HN 0.693 nan 8.290 nan 0.000 0.515 198 Q N -0.912 118.862 119.800 -0.043 0.000 2.227 198 Q HA 0.473 4.841 4.340 0.047 0.000 0.245 198 Q C 0.217 176.126 176.000 -0.152 0.000 0.926 198 Q CA -0.696 55.069 55.803 -0.063 0.000 0.895 198 Q CB 2.198 30.899 28.738 -0.062 0.000 1.230 198 Q HN 0.519 nan 8.270 nan 0.000 0.450 199 V N -1.673 118.127 119.914 -0.190 0.000 3.093 199 V HA 0.544 4.692 4.120 0.047 0.000 0.320 199 V C -0.350 175.399 176.094 -0.576 0.000 1.093 199 V CA -0.968 61.064 62.300 -0.446 0.000 1.016 199 V CB 0.691 32.305 31.823 -0.349 0.000 1.096 199 V HN 0.504 nan 8.190 nan 0.000 0.452 200 F N 0.277 119.702 119.950 -0.875 0.000 2.440 200 F HA 0.571 5.126 4.527 0.047 0.000 0.323 200 F C 0.812 176.328 175.800 -0.473 0.000 1.192 200 F CA -0.617 56.971 58.000 -0.688 0.000 1.252 200 F CB 0.193 38.670 39.000 -0.872 0.000 1.214 200 F HN 0.642 nan 8.300 nan 0.000 0.578 201 C N 1.331 120.552 119.300 -0.133 0.000 2.562 201 C HA 0.622 5.110 4.460 0.047 0.000 0.332 201 C C -0.745 174.158 174.990 -0.145 0.000 1.201 201 C CA -0.948 57.956 59.018 -0.190 0.000 1.803 201 C CB 1.157 28.866 27.740 -0.052 0.000 2.328 201 C HN 0.405 nan 8.230 nan 0.000 0.500 202 F N 0.973 121.006 119.950 0.139 0.000 2.411 202 F HA 0.491 5.046 4.527 0.047 0.000 0.352 202 F C 1.023 176.975 175.800 0.253 0.000 1.123 202 F CA -0.934 57.167 58.000 0.169 0.000 1.044 202 F CB 1.036 40.150 39.000 0.190 0.000 1.135 202 F HN 0.773 nan 8.300 nan 0.000 0.461 203 A N 1.736 124.750 122.820 0.322 0.000 2.066 203 A HA 0.058 4.406 4.320 0.047 0.000 0.218 203 A C 0.341 177.917 177.584 -0.014 0.000 1.157 203 A CA 1.485 53.626 52.037 0.174 0.000 0.670 203 A CB -0.622 18.404 19.000 0.043 0.000 0.804 203 A HN 0.739 nan 8.150 nan 0.000 0.453 204 D N -3.921 116.388 120.400 -0.153 0.000 2.677 204 D HA 0.235 4.903 4.640 0.047 0.000 0.298 204 D C 0.545 176.411 176.300 -0.724 0.000 1.250 204 D CA 0.211 53.755 54.000 -0.760 0.000 0.888 204 D CB 0.088 40.679 40.800 -0.349 0.000 1.397 204 D HN -0.037 nan 8.370 nan 0.000 0.461 205 S N -1.294 113.973 115.700 -0.721 0.000 2.500 205 S HA 0.043 4.541 4.470 0.047 0.000 0.239 205 S C 1.576 176.081 174.600 -0.160 0.000 0.989 205 S CA 0.665 58.724 58.200 -0.235 0.000 0.951 205 S CB -0.511 62.629 63.200 -0.099 0.000 0.759 205 S HN 0.727 nan 8.310 nan 0.000 0.523 206 A N 0.447 123.123 122.820 -0.239 0.000 2.345 206 A HA 0.764 5.112 4.320 0.047 0.000 0.225 206 A C 1.270 178.577 177.584 -0.461 0.000 1.243 206 A CA 0.302 52.178 52.037 -0.268 0.000 0.875 206 A CB -0.762 18.047 19.000 -0.319 0.000 0.929 206 A HN 1.526 nan 8.150 nan 0.000 0.502 207 A N 0.077 122.574 122.820 -0.538 0.000 2.914 207 A HA -0.156 4.192 4.320 0.047 0.000 0.280 207 A C 0.008 177.399 177.584 -0.322 0.000 1.447 207 A CA 0.644 52.182 52.037 -0.831 0.000 0.759 207 A CB -2.854 15.279 19.000 -1.445 0.000 1.034 207 A HN 0.651 nan 8.150 nan 0.000 0.529 208 H N -0.521 118.552 119.070 0.005 0.000 2.683 208 H HA 0.432 5.016 4.556 0.047 0.000 0.339 208 H C 0.876 176.356 175.328 0.254 0.000 1.081 208 H CA 0.125 56.259 56.048 0.144 0.000 1.432 208 H CB 0.646 30.383 29.762 -0.042 0.000 1.462 208 H HN 0.524 nan 8.280 nan 0.000 0.557 209 L N 1.970 123.424 121.223 0.384 0.000 2.426 209 L HA 0.219 4.587 4.340 0.047 0.000 0.271 209 L C 0.975 177.953 176.870 0.180 0.000 1.169 209 L CA -0.444 54.515 54.840 0.197 0.000 0.836 209 L CB 0.483 42.493 42.059 -0.082 0.000 1.112 209 L HN 0.593 nan 8.230 nan 0.000 0.465 210 A N 4.641 127.515 122.820 0.090 0.000 2.293 210 A HA 0.759 5.107 4.320 0.047 0.000 0.302 210 A C -0.519 177.073 177.584 0.013 0.000 1.119 210 A CA -0.511 51.564 52.037 0.063 0.000 0.823 210 A CB 0.634 19.675 19.000 0.069 0.000 1.097 210 A HN 0.636 nan 8.150 nan 0.000 0.491 211 L N 1.340 122.573 121.223 0.017 0.000 2.342 211 L HA 0.423 4.791 4.340 0.047 0.000 0.271 211 L C -0.184 176.693 176.870 0.012 0.000 1.008 211 L CA -1.101 53.740 54.840 0.003 0.000 0.818 211 L CB 1.882 43.945 42.059 0.006 0.000 1.296 211 L HN 0.930 nan 8.230 nan 0.000 0.427 212 D N 0.077 120.485 120.400 0.013 0.000 2.469 212 D HA 0.090 4.758 4.640 0.047 0.000 0.278 212 D C 0.669 176.979 176.300 0.016 0.000 1.231 212 D CA -0.352 53.657 54.000 0.015 0.000 1.075 212 D CB 0.553 41.362 40.800 0.016 0.000 1.121 212 D HN 0.498 nan 8.370 nan 0.000 0.571 213 E N -1.167 119.042 120.200 0.015 0.000 2.051 213 E HA -0.112 4.266 4.350 0.047 0.000 0.192 213 E C 1.862 178.472 176.600 0.016 0.000 0.991 213 E CA 2.126 58.535 56.400 0.015 0.000 0.799 213 E CB -0.590 29.118 29.700 0.013 0.000 0.748 213 E HN 0.694 nan 8.360 nan 0.000 0.449 214 T N -1.956 112.608 114.554 0.017 0.000 3.155 214 T HA 0.138 4.516 4.350 0.047 0.000 0.264 214 T C 1.411 176.125 174.700 0.024 0.000 1.160 214 T CA 0.359 62.469 62.100 0.018 0.000 1.075 214 T CB -0.226 68.652 68.868 0.017 0.000 0.921 214 T HN 0.339 nan 8.240 nan 0.000 0.533 215 G N 1.133 109.949 108.800 0.026 0.000 2.212 215 G HA2 -0.253 3.735 3.960 0.047 0.000 0.255 215 G HA3 -0.253 3.735 3.960 0.047 0.000 0.255 215 G C -0.236 174.686 174.900 0.037 0.000 1.062 215 G CA 0.187 45.307 45.100 0.034 0.000 0.815 215 G HN 0.794 nan 8.290 nan 0.000 0.497 216 K N -0.273 120.143 120.400 0.026 0.000 2.203 216 K HA 0.673 5.021 4.320 0.047 0.000 0.251 216 K C 0.956 177.560 176.600 0.006 0.000 0.944 216 K CA -1.196 55.107 56.287 0.026 0.000 0.829 216 K CB 0.823 33.343 32.500 0.035 0.000 1.125 216 K HN 0.130 nan 8.250 nan 0.000 0.430 217 L N 4.249 125.462 121.223 -0.016 0.000 2.601 217 L HA -0.058 4.310 4.340 0.047 0.000 0.277 217 L C 0.316 177.203 176.870 0.028 0.000 1.219 217 L CA -0.099 54.703 54.840 -0.064 0.000 0.915 217 L CB -0.165 41.779 42.059 -0.192 0.000 1.160 217 L HN 0.521 nan 8.230 nan 0.000 0.494 218 L N 5.781 127.012 121.223 0.013 0.000 2.397 218 L HA 0.309 4.677 4.340 0.047 0.000 0.271 218 L C -0.076 176.817 176.870 0.038 0.000 1.148 218 L CA 0.408 55.263 54.840 0.025 0.000 0.825 218 L CB 0.334 42.401 42.059 0.013 0.000 1.117 218 L HN 0.477 nan 8.230 nan 0.000 0.456 219 R N 4.763 125.270 120.500 0.011 0.000 2.621 219 R HA 0.555 4.923 4.340 0.047 0.000 0.292 219 R C -1.021 175.258 176.300 -0.035 0.000 0.969 219 R CA -0.864 55.219 56.100 -0.029 0.000 0.887 219 R CB 2.047 32.323 30.300 -0.041 0.000 1.180 219 R HN 0.666 nan 8.270 nan 0.000 0.450 220 K N 1.867 122.233 120.400 -0.056 0.000 2.433 220 K HA 0.529 4.877 4.320 0.047 0.000 0.252 220 K C -2.667 173.919 176.600 -0.025 0.000 1.015 220 K CA -2.082 54.185 56.287 -0.034 0.000 0.860 220 K CB 2.242 34.722 32.500 -0.034 0.000 1.359 220 K HN 0.196 nan 8.250 nan 0.000 0.452 221 P HA 0.038 nan 4.420 nan 0.000 0.275 221 P C -0.441 176.888 177.300 0.048 0.000 1.228 221 P CA 0.013 63.128 63.100 0.025 0.000 0.786 221 P CB 0.450 32.163 31.700 0.021 0.000 0.927 222 H N 1.804 120.858 119.070 -0.027 0.000 2.553 222 H HA 0.190 4.774 4.556 0.047 0.000 0.265 222 H C 0.600 175.899 175.328 -0.048 0.000 0.964 222 H CA 0.649 56.684 56.048 -0.022 0.000 1.156 222 H CB 0.104 29.889 29.762 0.038 0.000 1.411 222 H HN 0.647 nan 8.280 nan 0.000 0.558 223 G N 0.586 109.312 108.800 -0.123 0.000 2.555 223 G HA2 -0.236 3.752 3.960 0.047 0.000 0.686 223 G HA3 -0.236 3.752 3.960 0.047 0.000 0.686 223 G C 0.100 174.932 174.900 -0.114 0.000 1.275 223 G CA -0.138 44.830 45.100 -0.220 0.000 0.871 223 G HN 0.569 nan 8.290 nan 0.000 0.603 224 H N -0.683 118.406 119.070 0.032 0.000 2.524 224 H HA 0.235 4.818 4.556 0.046 0.000 0.282 224 H C 2.542 177.879 175.328 0.016 0.000 1.016 224 H CA 1.748 57.820 56.048 0.039 0.000 1.270 224 H CB -0.584 29.208 29.762 0.051 0.000 1.394 224 H HN 1.089 nan 8.280 nan 0.000 0.568 225 G N 1.346 110.201 108.800 0.091 0.000 2.545 225 G HA2 -0.381 3.607 3.960 0.047 0.000 0.222 225 G HA3 -0.381 3.607 3.960 0.047 0.000 0.222 225 G C 1.208 176.185 174.900 0.128 0.000 1.126 225 G CA 1.272 46.451 45.100 0.131 0.000 0.754 225 G HN 0.421 nan 8.290 nan 0.000 0.583 226 D N -0.286 120.193 120.400 0.131 0.000 2.315 226 D HA -0.110 4.558 4.640 0.047 0.000 0.211 226 D C 2.387 178.749 176.300 0.102 0.000 0.977 226 D CA 0.712 54.809 54.000 0.161 0.000 0.894 226 D CB -0.228 40.670 40.800 0.165 0.000 0.910 226 D HN 0.241 nan 8.370 nan 0.000 0.490 227 V N 0.727 120.649 119.914 0.013 0.000 2.515 227 V HA -0.209 3.939 4.120 0.047 0.000 0.250 227 V C 1.990 178.112 176.094 0.046 0.000 1.058 227 V CA 1.598 63.905 62.300 0.012 0.000 1.064 227 V CB -0.251 31.581 31.823 0.014 0.000 0.675 227 V HN 0.281 nan 8.190 nan 0.000 0.461 228 H N 0.419 119.622 119.070 0.222 0.000 2.363 228 H HA -0.042 4.542 4.556 0.047 0.000 0.301 228 H C 2.630 178.066 175.328 0.179 0.000 1.074 228 H CA 1.775 57.952 56.048 0.215 0.000 1.354 228 H CB -0.630 29.194 29.762 0.104 0.000 1.397 228 H HN 0.680 nan 8.280 nan 0.000 0.516 229 S N 0.975 116.820 115.700 0.241 0.000 2.387 229 S HA -0.044 4.454 4.470 0.047 0.000 0.226 229 S C 2.340 177.045 174.600 0.175 0.000 1.026 229 S CA 0.437 58.755 58.200 0.197 0.000 0.972 229 S CB -0.742 62.534 63.200 0.128 0.000 0.814 229 S HN 0.206 nan 8.310 nan 0.000 0.477 230 L N 0.839 122.144 121.223 0.137 0.000 2.042 230 L HA -0.079 4.289 4.340 0.047 0.000 0.210 230 L C 2.621 179.544 176.870 0.089 0.000 1.076 230 L CA 1.480 56.377 54.840 0.095 0.000 0.749 230 L CB -0.637 41.480 42.059 0.097 0.000 0.893 230 L HN 0.319 nan 8.230 nan 0.000 0.432 231 I N -1.400 119.263 120.570 0.155 0.000 2.179 231 I HA -0.352 3.846 4.170 0.047 0.000 0.242 231 I C 2.558 178.713 176.117 0.063 0.000 1.088 231 I CA 1.331 62.713 61.300 0.137 0.000 1.357 231 I CB -0.393 37.793 38.000 0.311 0.000 1.051 231 I HN 0.191 nan 8.210 nan 0.000 0.409 232 Y N 2.007 122.316 120.300 0.015 0.000 2.193 232 Y HA -0.309 4.269 4.550 0.046 0.000 0.285 232 Y C 1.898 177.727 175.900 -0.117 0.000 1.166 232 Y CA 2.100 60.161 58.100 -0.066 0.000 1.181 232 Y CB -0.531 37.886 38.460 -0.072 0.000 0.976 232 Y HN 0.232 nan 8.280 nan 0.000 0.520 233 N N -0.240 118.347 118.700 -0.188 0.000 2.325 233 N HA 0.238 5.006 4.740 0.047 0.000 0.182 233 N C -0.037 175.331 175.510 -0.236 0.000 1.088 233 N CA 0.288 53.173 53.050 -0.275 0.000 0.879 233 N CB 0.126 38.552 38.487 -0.103 0.000 0.983 233 N HN 0.271 nan 8.380 nan 0.000 0.471 234 A N 0.734 123.431 122.820 -0.206 0.000 2.371 234 A HA 0.479 4.827 4.320 0.047 0.000 0.257 234 A C 0.551 177.969 177.584 -0.277 0.000 1.089 234 A CA -0.166 51.750 52.037 -0.202 0.000 0.794 234 A CB 0.187 19.081 19.000 -0.176 0.000 1.029 234 A HN 0.221 nan 8.150 nan 0.000 0.488 235 T N -1.296 113.123 114.554 -0.225 0.000 2.907 235 T HA 0.682 5.060 4.350 0.047 0.000 0.290 235 T C -0.245 174.345 174.700 -0.184 0.000 1.066 235 T CA -0.587 61.382 62.100 -0.219 0.000 1.012 235 T CB 1.127 69.901 68.868 -0.158 0.000 1.184 235 T HN 1.012 nan 8.240 nan 0.000 0.522 252 Q N 1.424 121.165 119.800 -0.098 0.000 2.261 252 Q HA 0.548 4.916 4.340 0.047 0.000 0.252 252 Q C -2.771 173.120 176.000 -0.182 0.000 0.915 252 Q CA -1.865 53.865 55.803 -0.122 0.000 0.915 252 Q CB 1.237 29.916 28.738 -0.098 0.000 1.204 252 Q HN 0.176 nan 8.270 nan 0.000 0.421 253 P HA -0.084 nan 4.420 nan 0.000 0.268 253 P C 0.249 177.323 177.300 -0.377 0.000 1.205 253 P CA -0.344 62.578 63.100 -0.298 0.000 0.771 253 P CB 0.601 32.126 31.700 -0.293 0.000 0.858 254 L N 5.752 126.669 121.223 -0.509 0.000 1.978 254 L HA -0.212 4.156 4.340 0.047 0.000 0.218 254 L C 2.115 178.333 176.870 -1.087 0.000 1.075 254 L CA 2.271 56.616 54.840 -0.825 0.000 0.767 254 L CB -1.578 39.910 42.059 -0.951 0.000 0.890 254 L HN 0.315 nan 8.230 nan 0.000 0.434 255 V N -2.451 116.957 119.914 -0.843 0.000 2.469 255 V HA -0.283 3.865 4.120 0.047 0.000 0.251 255 V C 2.172 178.138 176.094 -0.213 0.000 1.064 255 V CA 2.214 64.205 62.300 -0.516 0.000 1.066 255 V CB -1.285 30.469 31.823 -0.116 0.000 0.667 255 V HN 0.602 nan 8.190 nan 0.000 0.461 256 N N 0.754 119.329 118.700 -0.208 0.000 2.120 256 N HA -0.237 4.531 4.740 0.047 0.000 0.188 256 N C 1.701 177.169 175.510 -0.069 0.000 1.024 256 N CA 1.848 54.843 53.050 -0.093 0.000 0.852 256 N CB -0.284 38.141 38.487 -0.104 0.000 1.003 256 N HN 0.680 nan 8.380 nan 0.000 0.424 257 D N 0.201 120.493 120.400 -0.179 0.000 2.123 257 D HA -0.162 4.506 4.640 0.047 0.000 0.196 257 D C 1.615 177.963 176.300 0.080 0.000 0.992 257 D CA 1.074 55.014 54.000 -0.099 0.000 0.833 257 D CB 0.120 40.800 40.800 -0.200 0.000 0.954 257 D HN 0.279 nan 8.370 nan 0.000 0.455 258 W N 0.564 121.863 121.300 -0.002 0.000 2.379 258 W HA -0.006 4.683 4.660 0.047 0.000 0.307 258 W C 2.227 178.839 176.519 0.155 0.000 1.200 258 W CA 0.230 57.588 57.345 0.022 0.000 1.297 258 W CB -1.323 28.095 29.460 -0.070 0.000 1.140 258 W HN 0.129 nan 8.180 nan 0.000 0.507 259 L N 0.328 121.745 121.223 0.323 0.000 2.042 259 L HA -0.207 4.161 4.340 0.047 0.000 0.210 259 L C 2.585 179.564 176.870 0.180 0.000 1.076 259 L CA 1.689 56.666 54.840 0.229 0.000 0.749 259 L CB -1.207 40.946 42.059 0.157 0.000 0.893 259 L HN -0.097 nan 8.230 nan 0.000 0.432 260 A N -0.453 122.456 122.820 0.149 0.000 2.067 260 A HA 0.003 4.351 4.320 0.047 0.000 0.219 260 A C 2.207 179.870 177.584 0.131 0.000 1.158 260 A CA 1.371 53.473 52.037 0.109 0.000 0.661 260 A CB -0.443 18.600 19.000 0.072 0.000 0.801 260 A HN 0.401 nan 8.150 nan 0.000 0.452 261 A N -2.005 120.944 122.820 0.215 0.000 2.275 261 A HA 0.449 4.797 4.320 0.047 0.000 0.212 261 A C 1.619 179.285 177.584 0.137 0.000 1.201 261 A CA 1.055 53.231 52.037 0.230 0.000 0.843 261 A CB -0.650 18.582 19.000 0.387 0.000 0.873 261 A HN 1.738 nan 8.150 nan 0.000 0.492 262 G N -2.121 106.745 108.800 0.110 0.000 2.176 262 G HA2 -0.268 3.720 3.960 0.047 0.000 0.232 262 G HA3 -0.268 3.720 3.960 0.047 0.000 0.232 262 G C 0.003 174.837 174.900 -0.112 0.000 0.986 262 G CA 0.019 45.102 45.100 -0.029 0.000 0.643 262 G HN 0.395 nan 8.290 nan 0.000 0.522 263 Y N 0.720 121.046 120.300 0.043 0.000 2.497 263 Y HA 0.420 4.998 4.550 0.046 0.000 0.334 263 Y C 1.601 177.507 175.900 0.011 0.000 1.199 263 Y CA 1.154 59.252 58.100 -0.004 0.000 1.425 263 Y CB 0.701 39.136 38.460 -0.043 0.000 1.291 263 Y HN 0.263 nan 8.280 nan 0.000 0.562 264 E N 0.179 120.420 120.200 0.069 0.000 2.508 264 E HA 0.180 4.558 4.350 0.047 0.000 0.217 264 E C -0.449 176.183 176.600 0.053 0.000 0.896 264 E CA 0.096 56.528 56.400 0.053 0.000 1.118 264 E CB 0.767 30.467 29.700 0.000 0.000 1.133 264 E HN 0.434 nan 8.360 nan 0.000 0.526 265 S N 0.271 115.975 115.700 0.007 0.000 2.569 265 S HA 0.574 5.072 4.470 0.047 0.000 0.280 265 S C -1.178 173.329 174.600 -0.155 0.000 1.111 265 S CA -0.632 57.547 58.200 -0.034 0.000 0.887 265 S CB 2.276 65.438 63.200 -0.063 0.000 1.095 265 S HN 0.175 nan 8.310 nan 0.000 0.476 266 I N 2.018 122.506 120.570 -0.136 0.000 2.533 266 I HA 0.683 4.881 4.170 0.047 0.000 0.290 266 I C -1.692 174.318 176.117 -0.179 0.000 1.056 266 I CA -0.617 60.489 61.300 -0.323 0.000 1.057 266 I CB 1.308 39.051 38.000 -0.428 0.000 1.240 266 I HN 0.398 nan 8.210 nan 0.000 0.423 267 V N 7.642 127.323 119.914 -0.388 0.000 2.588 267 V HA 0.499 4.647 4.120 0.047 0.000 0.304 267 V C -0.981 174.941 176.094 -0.287 0.000 1.042 267 V CA -0.432 61.764 62.300 -0.173 0.000 0.877 267 V CB 1.838 33.567 31.823 -0.157 0.000 0.996 267 V HN 0.468 nan 8.190 nan 0.000 0.425 268 F N 5.533 125.444 119.950 -0.066 0.000 2.458 268 F HA 0.735 5.290 4.527 0.046 0.000 0.336 268 F C 0.238 175.979 175.800 -0.098 0.000 1.114 268 F CA -0.672 57.282 58.000 -0.078 0.000 0.987 268 F CB 1.627 40.626 39.000 -0.003 0.000 1.130 268 F HN 0.400 nan 8.300 nan 0.000 0.458 269 I N -0.407 120.158 120.570 -0.008 0.000 2.892 269 I HA 0.617 4.815 4.170 0.047 0.000 0.306 269 I C -0.946 175.112 176.117 -0.098 0.000 1.078 269 I CA -1.051 60.195 61.300 -0.090 0.000 1.032 269 I CB 2.065 39.920 38.000 -0.241 0.000 1.229 269 I HN 0.477 nan 8.210 nan 0.000 0.435 270 Q N 1.429 121.172 119.800 -0.095 0.000 2.169 270 Q HA 0.187 4.555 4.340 0.047 0.000 0.234 270 Q C -0.102 175.861 176.000 -0.062 0.000 0.980 270 Q CA -0.511 55.251 55.803 -0.069 0.000 0.941 270 Q CB 1.341 30.044 28.738 -0.057 0.000 1.199 270 Q HN 0.818 nan 8.270 nan 0.000 0.496 271 D N -1.290 119.096 120.400 -0.022 0.000 2.317 271 D HA -0.090 4.578 4.640 0.047 0.000 0.211 271 D C 0.840 177.075 176.300 -0.109 0.000 0.966 271 D CA 0.828 54.849 54.000 0.036 0.000 0.876 271 D CB 0.008 40.830 40.800 0.035 0.000 0.927 271 D HN 0.541 nan 8.370 nan 0.000 0.519 272 T N -3.376 110.998 114.554 -0.300 0.000 3.672 272 T HA 0.187 4.565 4.350 0.047 0.000 0.296 272 T C -0.331 174.075 174.700 -0.490 0.000 0.979 272 T CA -0.890 60.654 62.100 -0.927 0.000 1.013 272 T CB -0.901 67.447 68.868 -0.867 0.000 1.184 272 T HN -0.035 nan 8.240 nan 0.000 0.477 273 N N 1.333 119.987 118.700 -0.076 0.000 2.707 273 N HA 0.606 5.374 4.740 0.047 0.000 0.235 273 N C 1.186 176.839 175.510 0.238 0.000 1.028 273 N CA -0.246 52.819 53.050 0.024 0.000 0.906 273 N CB 1.159 39.640 38.487 -0.010 0.000 1.131 273 N HN 0.354 nan 8.380 nan 0.000 0.509 274 A N 2.379 125.360 122.820 0.269 0.000 2.070 274 A HA -0.014 4.334 4.320 0.047 0.000 0.220 274 A C 1.919 179.609 177.584 0.177 0.000 1.159 274 A CA 1.532 53.697 52.037 0.213 0.000 0.656 274 A CB -0.763 18.166 19.000 -0.118 0.000 0.800 274 A HN 0.632 nan 8.150 nan 0.000 0.453 275 G N -0.482 108.349 108.800 0.052 0.000 2.479 275 G HA2 -0.004 3.984 3.960 0.047 0.000 0.220 275 G HA3 -0.004 3.984 3.960 0.047 0.000 0.220 275 G C 1.566 176.421 174.900 -0.075 0.000 1.115 275 G CA 1.152 46.232 45.100 -0.034 0.000 0.757 275 G HN 0.783 nan 8.290 nan 0.000 0.560 276 A N 0.926 123.727 122.820 -0.032 0.000 2.024 276 A HA -0.068 4.280 4.320 0.047 0.000 0.220 276 A C 2.600 180.025 177.584 -0.266 0.000 1.164 276 A CA 2.471 54.437 52.037 -0.119 0.000 0.643 276 A CB -0.893 18.066 19.000 -0.069 0.000 0.806 276 A HN 0.548 nan 8.150 nan 0.000 0.451 277 T N -2.586 111.733 114.554 -0.392 0.000 3.072 277 T HA 0.064 4.442 4.350 0.047 0.000 0.266 277 T C 1.529 175.983 174.700 -0.410 0.000 1.127 277 T CA 1.014 62.559 62.100 -0.924 0.000 1.107 277 T CB -0.217 67.827 68.868 -1.374 0.000 0.910 277 T HN 0.292 nan 8.240 nan 0.000 0.513 278 I N 2.434 122.886 120.570 -0.196 0.000 2.731 278 I HA 0.030 4.228 4.170 0.047 0.000 0.260 278 I C 2.863 178.938 176.117 -0.069 0.000 1.138 278 I CA 1.503 62.764 61.300 -0.064 0.000 1.461 278 I CB -1.447 36.535 38.000 -0.030 0.000 1.128 278 I HN 0.480 nan 8.210 nan 0.000 0.438 279 T N -0.741 113.669 114.554 -0.240 0.000 2.942 279 T HA 0.055 4.433 4.350 0.047 0.000 0.265 279 T C 2.018 176.629 174.700 -0.149 0.000 1.062 279 T CA 0.594 62.388 62.100 -0.511 0.000 1.139 279 T CB -0.487 67.715 68.868 -1.110 0.000 0.883 279 T HN 0.143 nan 8.240 nan 0.000 0.468 280 I N 2.308 122.853 120.570 -0.041 0.000 2.127 280 I HA -0.084 4.114 4.170 0.047 0.000 0.241 280 I C -0.515 175.714 176.117 0.187 0.000 1.075 280 I CA 1.367 62.731 61.300 0.107 0.000 1.334 280 I CB -1.054 37.082 38.000 0.227 0.000 1.040 280 I HN 0.229 nan 8.210 nan 0.000 0.405 281 P HA -0.180 nan 4.420 nan 0.000 0.215 281 P C 1.803 179.206 177.300 0.172 0.000 1.153 281 P CA 1.526 64.750 63.100 0.207 0.000 0.853 281 P CB -0.116 31.716 31.700 0.220 0.000 0.788 282 I N -0.722 119.979 120.570 0.218 0.000 2.226 282 I HA -0.158 4.040 4.170 0.047 0.000 0.245 282 I C 2.163 178.414 176.117 0.224 0.000 1.100 282 I CA 1.645 63.088 61.300 0.238 0.000 1.374 282 I CB -1.764 36.471 38.000 0.391 0.000 1.057 282 I HN -0.034 nan 8.210 nan 0.000 0.413 283 S N 1.248 117.127 115.700 0.299 0.000 2.370 283 S HA -0.121 4.377 4.470 0.047 0.000 0.226 283 S C 2.155 176.817 174.600 0.103 0.000 1.033 283 S CA 1.141 59.473 58.200 0.220 0.000 1.011 283 S CB -0.440 62.883 63.200 0.206 0.000 0.852 283 S HN 0.353 nan 8.310 nan 0.000 0.457 284 L N 1.052 122.330 121.223 0.090 0.000 2.042 284 L HA -0.191 4.177 4.340 0.047 0.000 0.210 284 L C 2.780 179.663 176.870 0.022 0.000 1.076 284 L CA 1.343 56.210 54.840 0.046 0.000 0.749 284 L CB -0.662 41.427 42.059 0.050 0.000 0.893 284 L HN 0.345 nan 8.230 nan 0.000 0.432 285 A N -0.250 122.588 122.820 0.031 0.000 1.930 285 A HA -0.123 4.225 4.320 0.047 0.000 0.217 285 A C 2.202 179.756 177.584 -0.049 0.000 1.175 285 A CA 1.286 53.319 52.037 -0.006 0.000 0.627 285 A CB -0.577 18.428 19.000 0.009 0.000 0.815 285 A HN 0.371 nan 8.150 nan 0.000 0.443 286 L N -0.783 120.424 121.223 -0.026 0.000 2.217 286 L HA -0.071 4.297 4.340 0.047 0.000 0.211 286 L C 2.704 179.529 176.870 -0.074 0.000 1.107 286 L CA 0.957 55.761 54.840 -0.060 0.000 0.783 286 L CB -0.233 41.816 42.059 -0.016 0.000 0.919 286 L HN 0.288 nan 8.230 nan 0.000 0.442 287 S N -0.175 115.506 115.700 -0.032 0.000 2.383 287 S HA -0.133 4.365 4.470 0.047 0.000 0.227 287 S C 2.145 176.723 174.600 -0.036 0.000 1.026 287 S CA 1.233 59.421 58.200 -0.020 0.000 0.981 287 S CB -0.084 63.115 63.200 -0.002 0.000 0.818 287 S HN 0.504 nan 8.310 nan 0.000 0.472 288 A N 1.193 123.980 122.820 -0.056 0.000 1.874 288 A HA -0.044 4.304 4.320 0.047 0.000 0.214 288 A C 1.971 179.475 177.584 -0.134 0.000 1.189 288 A CA 1.438 53.436 52.037 -0.066 0.000 0.615 288 A CB -0.661 18.306 19.000 -0.054 0.000 0.830 288 A HN 0.557 nan 8.150 nan 0.000 0.443 289 E N -0.858 119.203 120.200 -0.231 0.000 2.118 289 E HA -0.227 4.151 4.350 0.047 0.000 0.195 289 E C 0.809 177.088 176.600 -0.536 0.000 0.992 289 E CA 1.279 57.431 56.400 -0.414 0.000 0.804 289 E CB -0.103 29.252 29.700 -0.576 0.000 0.741 289 E HN 0.753 nan 8.360 nan 0.000 0.458 290 H N -0.813 118.112 119.070 -0.242 0.000 2.528 290 H HA 0.231 4.814 4.556 0.047 0.000 0.282 290 H C -0.133 175.132 175.328 -0.106 0.000 1.097 290 H CA 0.371 56.265 56.048 -0.257 0.000 1.121 290 H CB 0.795 30.155 29.762 -0.669 0.000 1.590 290 H HN -0.017 nan 8.280 nan 0.000 0.553 291 S N 1.144 116.847 115.700 0.005 0.000 3.550 291 S HA -0.172 4.326 4.470 0.047 0.000 0.372 291 S C 0.359 175.013 174.600 0.090 0.000 0.966 291 S CA 0.119 58.347 58.200 0.047 0.000 1.229 291 S CB -1.745 61.487 63.200 0.054 0.000 0.917 291 S HN 0.376 nan 8.310 nan 0.000 0.496 292 L N 1.373 122.642 121.223 0.077 0.000 2.276 292 L HA 0.306 4.674 4.340 0.047 0.000 0.286 292 L C 1.331 178.260 176.870 0.097 0.000 1.061 292 L CA -0.561 54.334 54.840 0.093 0.000 0.807 292 L CB 0.761 42.859 42.059 0.066 0.000 1.177 292 L HN 0.220 nan 8.230 nan 0.000 0.429 293 D N 2.847 123.336 120.400 0.148 0.000 2.183 293 D HA 0.008 4.676 4.640 0.047 0.000 0.205 293 D C 0.433 176.748 176.300 0.024 0.000 0.962 293 D CA 1.284 55.409 54.000 0.209 0.000 0.849 293 D CB 0.733 41.796 40.800 0.438 0.000 0.978 293 D HN 0.382 nan 8.370 nan 0.000 0.488 294 M N 0.842 120.336 119.600 -0.176 0.000 2.326 294 M HA 0.237 4.745 4.480 0.047 0.000 0.292 294 M C -1.892 174.199 176.300 -0.347 0.000 1.081 294 M CA -0.585 54.401 55.300 -0.524 0.000 0.919 294 M CB 2.524 34.630 32.600 -0.823 0.000 1.634 294 M HN -0.337 nan 8.290 nan 0.000 0.451 295 N N 4.540 122.978 118.700 -0.437 0.000 2.531 295 N HA 0.369 5.137 4.740 0.047 0.000 0.268 295 N C -2.025 173.351 175.510 -0.223 0.000 1.023 295 N CA -0.236 52.708 53.050 -0.176 0.000 0.896 295 N CB 0.800 39.235 38.487 -0.086 0.000 1.233 295 N HN 0.499 nan 8.380 nan 0.000 0.512 296 F N 1.194 121.055 119.950 -0.149 0.000 2.467 296 F HA 0.191 4.746 4.527 0.046 0.000 0.362 296 F C 1.335 177.116 175.800 -0.031 0.000 1.090 296 F CA 0.009 57.940 58.000 -0.115 0.000 1.202 296 F CB 0.793 39.733 39.000 -0.099 0.000 1.113 296 F HN 0.180 nan 8.300 nan 0.000 0.541 297 T N 3.758 118.398 114.554 0.144 0.000 2.779 297 T HA 0.331 4.709 4.350 0.047 0.000 0.296 297 T C -0.204 174.569 174.700 0.122 0.000 0.938 297 T CA -0.343 61.852 62.100 0.158 0.000 1.119 297 T CB -0.080 68.804 68.868 0.026 0.000 0.891 297 T HN 0.561 nan 8.240 nan 0.000 0.526 298 C N 3.777 123.179 119.300 0.171 0.000 2.913 298 C HA 0.873 5.361 4.460 0.047 0.000 0.322 298 C C 0.099 175.110 174.990 0.036 0.000 1.292 298 C CA -1.114 57.923 59.018 0.031 0.000 1.649 298 C CB 0.869 28.593 27.740 -0.027 0.000 2.139 298 C HN 0.980 nan 8.230 nan 0.000 0.475 299 I N -1.344 119.163 120.570 -0.105 0.000 2.969 299 I HA 0.613 4.811 4.170 0.047 0.000 0.307 299 I C -3.123 172.854 176.117 -0.235 0.000 1.149 299 I CA -2.522 58.700 61.300 -0.130 0.000 1.008 299 I CB 1.859 39.770 38.000 -0.149 0.000 1.232 299 I HN 0.298 nan 8.210 nan 0.000 0.435 300 P HA 0.208 nan 4.420 nan 0.000 0.271 300 P C -1.161 175.858 177.300 -0.469 0.000 1.220 300 P CA -0.104 62.658 63.100 -0.564 0.000 0.768 300 P CB 0.522 31.460 31.700 -1.271 0.000 0.848 301 R N 2.747 123.098 120.500 -0.248 0.000 2.428 301 R HA 0.442 4.810 4.340 0.047 0.000 0.294 301 R C -0.589 175.725 176.300 0.023 0.000 1.000 301 R CA -0.884 55.138 56.100 -0.131 0.000 0.960 301 R CB 0.814 31.016 30.300 -0.163 0.000 1.076 301 R HN 0.357 nan 8.270 nan 0.000 0.475 302 V N 2.956 122.892 119.914 0.038 0.000 2.407 302 V HA 0.369 4.517 4.120 0.047 0.000 0.278 302 V C -2.025 174.024 176.094 -0.075 0.000 1.037 302 V CA -2.022 60.323 62.300 0.075 0.000 0.900 302 V CB 1.368 33.260 31.823 0.115 0.000 0.983 302 V HN 0.757 nan 8.190 nan 0.000 0.459 303 P HA -0.186 nan 4.420 nan 0.000 0.218 303 P C 1.161 178.245 177.300 -0.360 0.000 1.147 303 P CA 1.742 64.701 63.100 -0.234 0.000 0.827 303 P CB 0.089 31.742 31.700 -0.078 0.000 0.778 304 K N -1.037 119.266 120.400 -0.162 0.000 2.284 304 K HA 0.050 4.398 4.320 0.047 0.000 0.198 304 K C 0.825 177.385 176.600 -0.067 0.000 1.048 304 K CA -0.043 56.202 56.287 -0.071 0.000 0.987 304 K CB -0.099 32.411 32.500 0.016 0.000 0.800 304 K HN 0.237 nan 8.250 nan 0.000 0.486 305 E N 3.396 123.546 120.200 -0.082 0.000 2.653 305 E HA -0.081 4.297 4.350 0.047 0.000 0.264 305 E C -2.117 174.477 176.600 -0.010 0.000 0.949 305 E CA -0.982 55.408 56.400 -0.017 0.000 0.953 305 E CB 0.473 30.160 29.700 -0.021 0.000 0.925 305 E HN -0.001 nan 8.360 nan 0.000 0.475 306 P HA 0.138 nan 4.420 nan 0.000 0.226 306 P C -0.972 176.341 177.300 0.023 0.000 1.783 306 P CA 0.225 63.361 63.100 0.059 0.000 0.980 306 P CB -0.223 31.522 31.700 0.076 0.000 1.967 307 I N 0.313 120.874 120.570 -0.016 0.000 2.722 307 I HA 0.555 4.753 4.170 0.047 0.000 0.295 307 I C 0.058 176.134 176.117 -0.068 0.000 1.161 307 I CA -0.831 60.432 61.300 -0.062 0.000 1.032 307 I CB 2.288 40.209 38.000 -0.132 0.000 1.244 307 I HN 0.117 nan 8.210 nan 0.000 0.421 308 G N 6.036 114.800 108.800 -0.060 0.000 2.527 308 G HA2 0.496 4.484 3.960 0.047 0.000 0.248 308 G HA3 0.496 4.484 3.960 0.047 0.000 0.248 308 G C -1.087 173.741 174.900 -0.120 0.000 1.231 308 G CA -0.342 44.723 45.100 -0.059 0.000 0.838 308 G HN 0.450 nan 8.290 nan 0.000 0.570 309 L N 0.746 121.888 121.223 -0.134 0.000 2.317 309 L HA 0.369 4.737 4.340 0.047 0.000 0.281 309 L C 0.073 176.839 176.870 -0.174 0.000 1.024 309 L CA -0.838 53.894 54.840 -0.180 0.000 0.810 309 L CB 1.634 43.521 42.059 -0.287 0.000 1.240 309 L HN 0.368 nan 8.230 nan 0.000 0.427 310 L N 3.242 124.343 121.223 -0.204 0.000 2.369 310 L HA 0.419 4.787 4.340 0.047 0.000 0.279 310 L C -0.647 176.177 176.870 -0.077 0.000 1.108 310 L CA 0.631 55.293 54.840 -0.297 0.000 0.852 310 L CB 0.149 41.957 42.059 -0.418 0.000 1.169 310 L HN 0.717 nan 8.230 nan 0.000 0.452 311 C N 4.303 123.569 119.300 -0.057 0.000 2.802 311 C HA 0.538 5.026 4.460 0.047 0.000 0.307 311 C C 0.014 175.032 174.990 0.047 0.000 1.222 311 C CA -1.131 57.967 59.018 0.133 0.000 1.580 311 C CB 2.097 29.905 27.740 0.112 0.000 2.119 311 C HN 0.782 nan 8.230 nan 0.000 0.479 312 R N 1.456 122.020 120.500 0.107 0.000 2.202 312 R HA 0.523 4.891 4.340 0.047 0.000 0.334 312 R C -0.079 176.429 176.300 0.346 0.000 1.036 312 R CA 0.277 56.460 56.100 0.138 0.000 0.878 312 R CB 0.701 30.949 30.300 -0.085 0.000 1.067 312 R HN 0.988 nan 8.270 nan 0.000 0.457 313 T N 1.041 115.801 114.554 0.342 0.000 2.950 313 T HA 0.445 4.823 4.350 0.047 0.000 0.288 313 T C -0.384 174.456 174.700 0.233 0.000 1.035 313 T CA -0.957 61.260 62.100 0.196 0.000 1.028 313 T CB 2.000 70.853 68.868 -0.024 0.000 1.109 313 T HN 0.466 nan 8.240 nan 0.000 0.514 314 K N 0.776 121.244 120.400 0.113 0.000 2.761 314 K HA 0.262 4.610 4.320 0.047 0.000 0.257 314 K C 0.385 177.057 176.600 0.120 0.000 1.053 314 K CA -0.642 55.575 56.287 -0.116 0.000 1.035 314 K CB 1.355 33.471 32.500 -0.640 0.000 1.267 314 K HN 0.569 nan 8.250 nan 0.000 0.505 315 K N 2.358 122.845 120.400 0.145 0.000 1.965 315 K HA -0.091 4.257 4.320 0.047 0.000 0.218 315 K C -0.282 176.270 176.600 -0.079 0.000 1.048 315 K CA 1.919 58.196 56.287 -0.017 0.000 0.960 315 K CB -0.077 32.368 32.500 -0.092 0.000 0.732 315 K HN 0.608 nan 8.250 nan 0.000 0.444 316 N N -0.812 117.841 118.700 -0.079 0.000 2.362 316 N HA 0.290 5.058 4.740 0.047 0.000 0.299 316 N C -1.315 174.143 175.510 -0.088 0.000 1.170 316 N CA -0.725 52.277 53.050 -0.080 0.000 0.825 316 N CB 1.828 40.272 38.487 -0.073 0.000 1.299 316 N HN -0.022 nan 8.380 nan 0.000 0.502 317 S N 0.118 115.771 115.700 -0.078 0.000 2.558 317 S HA 0.237 4.735 4.470 0.047 0.000 0.291 317 S C 1.496 176.044 174.600 -0.087 0.000 1.306 317 S CA 0.850 58.999 58.200 -0.085 0.000 1.056 317 S CB 0.185 63.349 63.200 -0.059 0.000 0.836 317 S HN 0.947 nan 8.310 nan 0.000 0.504 318 G N 2.338 111.074 108.800 -0.106 0.000 2.220 318 G HA2 -0.247 3.741 3.960 0.047 0.000 0.269 318 G HA3 -0.247 3.741 3.960 0.047 0.000 0.269 318 G C -0.024 174.815 174.900 -0.102 0.000 0.977 318 G CA 0.277 45.324 45.100 -0.089 0.000 0.634 318 G HN 0.702 nan 8.290 nan 0.000 0.539 319 D N 1.926 122.250 120.400 -0.127 0.000 2.400 319 D HA 0.316 4.984 4.640 0.047 0.000 0.238 319 D C -1.286 174.919 176.300 -0.157 0.000 1.157 319 D CA -0.521 53.413 54.000 -0.111 0.000 0.889 319 D CB 0.998 41.738 40.800 -0.100 0.000 1.199 319 D HN 0.222 nan 8.370 nan 0.000 0.436 320 P HA -0.009 nan 4.420 nan 0.000 0.271 320 P C -0.412 176.861 177.300 -0.045 0.000 1.233 320 P CA -0.188 62.900 63.100 -0.019 0.000 0.789 320 P CB 0.420 32.161 31.700 0.069 0.000 0.951 321 W N 0.774 122.119 121.300 0.075 0.000 2.202 321 W HA 0.430 5.118 4.660 0.047 0.000 0.332 321 W C 0.211 176.790 176.519 0.099 0.000 1.263 321 W CA -0.081 57.312 57.345 0.081 0.000 1.223 321 W CB 0.287 29.784 29.460 0.062 0.000 1.128 321 W HN 0.116 nan 8.180 nan 0.000 0.573 322 L N 2.586 124.034 121.223 0.376 0.000 2.410 322 L HA 0.406 4.774 4.340 0.047 0.000 0.270 322 L C -0.751 176.264 176.870 0.241 0.000 0.983 322 L CA -1.153 53.856 54.840 0.281 0.000 0.822 322 L CB 1.817 44.020 42.059 0.240 0.000 1.285 322 L HN 0.002 nan 8.230 nan 0.000 0.409 323 V N 3.110 123.143 119.914 0.197 0.000 2.389 323 V HA 0.709 4.857 4.120 0.047 0.000 0.264 323 V C 0.272 176.439 176.094 0.122 0.000 1.049 323 V CA -0.107 62.263 62.300 0.116 0.000 0.932 323 V CB 0.832 32.707 31.823 0.086 0.000 1.011 323 V HN 0.815 nan 8.190 nan 0.000 0.475 324 A N 4.721 127.553 122.820 0.020 0.000 2.572 324 A HA 0.561 4.909 4.320 0.047 0.000 0.295 324 A C -0.364 177.120 177.584 -0.167 0.000 1.072 324 A CA -0.819 51.237 52.037 0.031 0.000 0.691 324 A CB 1.331 20.414 19.000 0.139 0.000 1.291 324 A HN 0.681 nan 8.150 nan 0.000 0.404 325 N N 0.735 119.343 118.700 -0.153 0.000 2.518 325 N HA 0.389 5.157 4.740 0.047 0.000 0.266 325 N C -0.918 174.571 175.510 -0.035 0.000 1.196 325 N CA 0.479 53.436 53.050 -0.155 0.000 0.947 325 N CB 0.721 39.206 38.487 -0.005 0.000 1.098 325 N HN 0.420 nan 8.380 nan 0.000 0.450 326 V N 1.540 121.423 119.914 -0.051 0.000 2.888 326 V HA 0.249 4.397 4.120 0.047 0.000 0.309 326 V C -0.082 176.018 176.094 0.010 0.000 1.114 326 V CA -1.044 61.256 62.300 0.000 0.000 0.940 326 V CB 1.816 33.624 31.823 -0.025 0.000 1.021 326 V HN 0.640 nan 8.190 nan 0.000 0.426 327 E N 1.005 121.223 120.200 0.031 0.000 2.366 327 E HA 0.128 4.506 4.350 0.047 0.000 0.266 327 E C 0.229 176.903 176.600 0.124 0.000 1.051 327 E CA -0.102 56.329 56.400 0.052 0.000 0.884 327 E CB 0.961 30.673 29.700 0.020 0.000 1.006 327 E HN 0.683 nan 8.360 nan 0.000 0.417 328 Y N 5.641 125.938 120.300 -0.005 0.000 2.053 328 Y HA -0.374 4.204 4.550 0.047 0.000 0.277 328 Y C 1.646 177.599 175.900 0.089 0.000 1.159 328 Y CA 2.871 60.985 58.100 0.024 0.000 1.125 328 Y CB -0.656 37.797 38.460 -0.012 0.000 0.969 328 Y HN 0.700 nan 8.280 nan 0.000 0.492 329 N N -0.189 118.430 118.700 -0.136 0.000 2.096 329 N HA -0.239 4.529 4.740 0.047 0.000 0.195 329 N C 1.579 177.010 175.510 -0.131 0.000 1.017 329 N CA 2.509 55.422 53.050 -0.227 0.000 0.870 329 N CB -1.350 37.084 38.487 -0.089 0.000 1.024 329 N HN 0.312 nan 8.380 nan 0.000 0.434 330 V N -0.546 119.357 119.914 -0.018 0.000 2.427 330 V HA -0.134 4.014 4.120 0.047 0.000 0.248 330 V C 1.954 178.069 176.094 0.035 0.000 1.051 330 V CA 1.434 63.754 62.300 0.033 0.000 1.048 330 V CB -0.912 30.971 31.823 0.100 0.000 0.666 330 V HN 0.261 nan 8.190 nan 0.000 0.456 331 F N 1.541 121.433 119.950 -0.095 0.000 2.113 331 F HA -0.093 4.462 4.527 0.047 0.000 0.297 331 F C 2.352 178.074 175.800 -0.131 0.000 1.103 331 F CA 1.406 59.338 58.000 -0.114 0.000 1.248 331 F CB -0.475 38.491 39.000 -0.056 0.000 0.999 331 F HN 0.070 nan 8.300 nan 0.000 0.475 332 A N 0.298 123.073 122.820 -0.075 0.000 1.865 332 A HA -0.251 4.097 4.320 0.047 0.000 0.217 332 A C 2.078 179.555 177.584 -0.177 0.000 1.191 332 A CA 2.119 54.061 52.037 -0.160 0.000 0.623 332 A CB -1.013 17.824 19.000 -0.271 0.000 0.826 332 A HN 0.574 nan 8.150 nan 0.000 0.444 333 E N -0.421 119.690 120.200 -0.148 0.000 2.051 333 E HA -0.133 4.245 4.350 0.047 0.000 0.192 333 E C 1.952 178.487 176.600 -0.108 0.000 0.991 333 E CA 1.433 57.769 56.400 -0.106 0.000 0.799 333 E CB -0.365 29.293 29.700 -0.071 0.000 0.748 333 E HN 0.400 nan 8.360 nan 0.000 0.449 334 V N 1.160 121.001 119.914 -0.121 0.000 2.515 334 V HA -0.215 3.933 4.120 0.047 0.000 0.250 334 V C 2.217 178.199 176.094 -0.187 0.000 1.058 334 V CA 1.689 63.930 62.300 -0.099 0.000 1.064 334 V CB -0.374 31.436 31.823 -0.022 0.000 0.675 334 V HN 0.187 nan 8.190 nan 0.000 0.461 335 S N -0.162 115.338 115.700 -0.333 0.000 2.399 335 S HA -0.168 4.330 4.470 0.047 0.000 0.231 335 S C 2.059 176.561 174.600 -0.163 0.000 1.022 335 S CA 1.263 59.272 58.200 -0.319 0.000 0.983 335 S CB -0.292 62.648 63.200 -0.433 0.000 0.803 335 S HN 0.581 nan 8.310 nan 0.000 0.480 336 R N 1.177 121.598 120.500 -0.132 0.000 2.148 336 R HA 0.081 4.449 4.340 0.047 0.000 0.227 336 R C 2.477 178.740 176.300 -0.062 0.000 1.103 336 R CA 1.054 57.105 56.100 -0.081 0.000 0.983 336 R CB -0.429 29.828 30.300 -0.071 0.000 0.874 336 R HN 0.403 nan 8.270 nan 0.000 0.451 337 A N 1.937 124.719 122.820 -0.063 0.000 1.969 337 A HA 0.003 4.351 4.320 0.047 0.000 0.218 337 A C 1.394 178.957 177.584 -0.035 0.000 1.169 337 A CA 0.892 52.903 52.037 -0.043 0.000 0.635 337 A CB -0.227 18.753 19.000 -0.034 0.000 0.810 337 A HN 0.335 nan 8.150 nan 0.000 0.445 352 F N 1.345 121.282 119.950 -0.023 0.000 2.274 352 F HA 0.560 5.114 4.527 0.045 0.000 0.288 352 F C 1.507 177.284 175.800 -0.038 0.000 1.069 352 F CA 0.636 58.618 58.000 -0.030 0.000 1.343 352 F CB 0.576 39.555 39.000 -0.035 0.000 1.089 352 F HN 0.599 nan 8.300 nan 0.000 0.517 353 S N -1.108 114.705 115.700 0.188 0.000 2.579 353 S HA 0.321 4.819 4.470 0.047 0.000 0.290 353 S C -2.449 172.205 174.600 0.089 0.000 1.123 353 S CA -0.956 57.302 58.200 0.096 0.000 0.894 353 S CB 0.910 64.116 63.200 0.011 0.000 1.095 353 S HN -0.176 nan 8.310 nan 0.000 0.450 354 P HA 0.073 nan 4.420 nan 0.000 0.216 354 P C -0.189 177.018 177.300 -0.155 0.000 1.150 354 P CA 1.117 64.218 63.100 0.001 0.000 0.837 354 P CB -0.046 31.699 31.700 0.076 0.000 0.786 355 F N 0.063 119.925 119.950 -0.146 0.000 2.410 355 F HA 0.326 4.881 4.527 0.046 0.000 0.348 355 F C -1.877 173.785 175.800 -0.228 0.000 1.106 355 F CA -3.032 54.843 58.000 -0.210 0.000 1.163 355 F CB -0.233 38.582 39.000 -0.307 0.000 1.129 355 F HN -0.170 nan 8.300 nan 0.000 0.516 356 P HA 0.234 nan 4.420 nan 0.000 0.274 356 P C -0.167 177.038 177.300 -0.159 0.000 1.231 356 P CA -0.482 62.531 63.100 -0.145 0.000 0.790 356 P CB 0.789 32.391 31.700 -0.164 0.000 0.951 357 G N 0.413 109.103 108.800 -0.183 0.000 2.325 357 G HA2 0.367 4.355 3.960 0.047 0.000 0.298 357 G HA3 0.367 4.355 3.960 0.047 0.000 0.298 357 G C -0.410 174.368 174.900 -0.203 0.000 1.134 357 G CA -0.224 44.754 45.100 -0.204 0.000 0.876 357 G HN 0.431 nan 8.290 nan 0.000 0.452 358 S N 1.007 116.602 115.700 -0.175 0.000 2.465 358 S HA 0.218 4.716 4.470 0.047 0.000 0.279 358 S C 1.247 175.760 174.600 -0.146 0.000 1.201 358 S CA -0.453 57.687 58.200 -0.100 0.000 1.053 358 S CB 1.068 64.246 63.200 -0.037 0.000 0.953 358 S HN 1.059 nan 8.310 nan 0.000 0.488 359 V N 2.362 122.177 119.914 -0.165 0.000 3.647 359 V HA 0.401 4.549 4.120 0.047 0.000 0.279 359 V C 0.598 176.660 176.094 -0.055 0.000 1.314 359 V CA 0.343 62.501 62.300 -0.236 0.000 1.125 359 V CB -1.358 30.261 31.823 -0.341 0.000 0.907 359 V HN 0.946 nan 8.190 nan 0.000 0.434 360 N N 0.221 118.917 118.700 -0.007 0.000 2.815 360 N HA -0.150 4.618 4.740 0.047 0.000 0.249 360 N C -0.066 175.428 175.510 -0.025 0.000 1.114 360 N CA 1.310 54.354 53.050 -0.010 0.000 0.717 360 N CB -1.797 36.661 38.487 -0.048 0.000 1.074 360 N HN 0.714 nan 8.380 nan 0.000 0.555 361 T N 1.179 115.719 114.554 -0.023 0.000 2.753 361 T HA 0.527 4.905 4.350 0.047 0.000 0.297 361 T C 0.403 175.070 174.700 -0.055 0.000 0.981 361 T CA -0.341 61.742 62.100 -0.027 0.000 0.956 361 T CB 0.672 69.510 68.868 -0.049 0.000 0.936 361 T HN 0.102 nan 8.240 nan 0.000 0.463 362 L N 3.830 125.031 121.223 -0.037 0.000 2.313 362 L HA 0.665 5.033 4.340 0.047 0.000 0.283 362 L C -0.495 176.287 176.870 -0.148 0.000 1.013 362 L CA -1.112 53.599 54.840 -0.215 0.000 0.816 362 L CB 1.776 43.692 42.059 -0.239 0.000 1.236 362 L HN 0.284 nan 8.230 nan 0.000 0.419 363 V N 3.751 123.440 119.914 -0.375 0.000 2.378 363 V HA 0.485 4.633 4.120 0.047 0.000 0.288 363 V C -0.549 175.303 176.094 -0.402 0.000 1.016 363 V CA -0.343 61.823 62.300 -0.224 0.000 0.840 363 V CB 1.381 33.137 31.823 -0.113 0.000 0.994 363 V HN 0.405 nan 8.190 nan 0.000 0.431 364 F N 2.576 122.497 119.950 -0.048 0.000 2.561 364 F HA 0.514 5.069 4.527 0.047 0.000 0.321 364 F C 0.331 176.142 175.800 0.019 0.000 1.065 364 F CA -0.925 57.064 58.000 -0.018 0.000 0.934 364 F CB 1.818 40.845 39.000 0.045 0.000 1.215 364 F HN 0.250 nan 8.300 nan 0.000 0.471 365 K N 2.254 122.822 120.400 0.279 0.000 2.339 365 K HA 0.132 4.480 4.320 0.047 0.000 0.286 365 K C 0.783 177.562 176.600 0.299 0.000 1.050 365 K CA -0.249 56.175 56.287 0.230 0.000 0.956 365 K CB 0.857 33.489 32.500 0.221 0.000 0.990 365 K HN 0.720 nan 8.250 nan 0.000 0.475 366 L N 4.709 126.066 121.223 0.223 0.000 2.083 366 L HA -0.188 4.180 4.340 0.047 0.000 0.209 366 L C 2.151 179.197 176.870 0.293 0.000 1.083 366 L CA 2.253 57.242 54.840 0.249 0.000 0.752 366 L CB -0.681 41.489 42.059 0.185 0.000 0.899 366 L HN 0.858 nan 8.230 nan 0.000 0.433 367 S N -2.150 113.694 115.700 0.239 0.000 2.368 367 S HA -0.152 4.346 4.470 0.047 0.000 0.224 367 S C 2.005 176.751 174.600 0.244 0.000 1.029 367 S CA 1.270 59.599 58.200 0.215 0.000 0.988 367 S CB -0.867 62.437 63.200 0.173 0.000 0.838 367 S HN 0.477 nan 8.310 nan 0.000 0.462 368 S N 0.798 116.689 115.700 0.317 0.000 2.383 368 S HA -0.033 4.465 4.470 0.047 0.000 0.227 368 S C 1.537 176.291 174.600 0.257 0.000 1.026 368 S CA 1.205 59.634 58.200 0.380 0.000 0.981 368 S CB -0.626 62.900 63.200 0.543 0.000 0.818 368 S HN 0.681 nan 8.310 nan 0.000 0.472 369 Y N 2.542 122.969 120.300 0.212 0.000 2.163 369 Y HA -0.154 4.424 4.550 0.047 0.000 0.288 369 Y C 2.217 178.123 175.900 0.011 0.000 1.136 369 Y CA 1.175 59.329 58.100 0.089 0.000 1.147 369 Y CB -0.639 37.806 38.460 -0.024 0.000 0.987 369 Y HN 0.011 nan 8.280 nan 0.000 0.509 370 V N 0.783 120.779 119.914 0.136 0.000 2.332 370 V HA -0.330 3.818 4.120 0.047 0.000 0.248 370 V C 2.090 178.143 176.094 -0.068 0.000 1.055 370 V CA 2.186 64.510 62.300 0.040 0.000 1.038 370 V CB -0.741 31.177 31.823 0.158 0.000 0.651 370 V HN 0.417 nan 8.190 nan 0.000 0.450 371 D N -0.124 120.259 120.400 -0.030 0.000 2.106 371 D HA -0.156 4.512 4.640 0.047 0.000 0.191 371 D C 2.437 178.625 176.300 -0.187 0.000 0.997 371 D CA 1.176 55.148 54.000 -0.047 0.000 0.834 371 D CB -0.287 40.547 40.800 0.056 0.000 0.956 371 D HN 0.251 nan 8.370 nan 0.000 0.448 372 R N 0.136 120.408 120.500 -0.379 0.000 2.092 372 R HA -0.045 4.323 4.340 0.047 0.000 0.231 372 R C 2.326 178.360 176.300 -0.443 0.000 1.119 372 R CA 0.171 55.947 56.100 -0.541 0.000 0.970 372 R CB -1.036 28.671 30.300 -0.987 0.000 0.864 372 R HN 0.235 nan 8.270 nan 0.000 0.440 373 L N 1.111 122.047 121.223 -0.478 0.000 2.017 373 L HA -0.118 4.250 4.340 0.047 0.000 0.208 373 L C 2.393 179.085 176.870 -0.297 0.000 1.073 373 L CA 1.742 56.341 54.840 -0.401 0.000 0.745 373 L CB -0.311 41.520 42.059 -0.379 0.000 0.894 373 L HN -0.021 nan 8.230 nan 0.000 0.432 374 R N -0.566 119.846 120.500 -0.148 0.000 2.091 374 R HA -0.223 4.145 4.340 0.047 0.000 0.238 374 R C 2.125 178.369 176.300 -0.093 0.000 1.136 374 R CA 1.602 57.673 56.100 -0.047 0.000 0.959 374 R CB -0.289 30.034 30.300 0.038 0.000 0.856 374 R HN 0.608 nan 8.270 nan 0.000 0.437 375 E N 0.129 120.259 120.200 -0.117 0.000 2.107 375 E HA -0.114 4.264 4.350 0.047 0.000 0.191 375 E C 1.569 178.083 176.600 -0.143 0.000 0.982 375 E CA 1.797 58.139 56.400 -0.096 0.000 0.809 375 E CB -0.112 29.524 29.700 -0.107 0.000 0.756 375 E HN 0.223 nan 8.360 nan 0.000 0.459 376 S N -1.529 114.044 115.700 -0.211 0.000 2.524 376 S HA 0.056 4.554 4.470 0.047 0.000 0.216 376 S C -0.049 174.401 174.600 -0.250 0.000 0.987 376 S CA 0.263 58.325 58.200 -0.231 0.000 0.909 376 S CB -0.393 62.673 63.200 -0.222 0.000 0.781 376 S HN 0.377 nan 8.310 nan 0.000 0.521 377 H N 0.701 119.344 119.070 -0.711 0.000 2.992 377 H HA -0.107 4.477 4.556 0.047 0.000 0.266 377 H C 1.317 176.260 175.328 -0.643 0.000 1.200 377 H CA 0.546 55.869 56.048 -1.209 0.000 1.135 377 H CB -1.872 27.492 29.762 -0.663 0.000 1.282 377 H HN 0.930 nan 8.280 nan 0.000 0.351 378 G N -1.208 107.406 108.800 -0.311 0.000 2.184 378 G HA2 -0.327 3.661 3.960 0.047 0.000 0.264 378 G HA3 -0.327 3.661 3.960 0.047 0.000 0.264 378 G C 0.297 175.200 174.900 0.005 0.000 0.975 378 G CA 0.184 45.240 45.100 -0.075 0.000 0.642 378 G HN 0.438 nan 8.290 nan 0.000 0.536 379 I N 1.632 122.167 120.570 -0.058 0.000 2.471 379 I HA 0.429 4.627 4.170 0.047 0.000 0.286 379 I C 1.109 177.221 176.117 -0.008 0.000 1.079 379 I CA -0.737 60.549 61.300 -0.024 0.000 1.398 379 I CB 0.618 38.566 38.000 -0.088 0.000 1.403 379 I HN 0.369 nan 8.210 nan 0.000 0.530 380 V N 5.483 125.435 119.914 0.063 0.000 2.960 380 V HA 0.694 4.842 4.120 0.047 0.000 0.315 380 V C -2.600 173.555 176.094 0.102 0.000 1.087 380 V CA -2.433 59.911 62.300 0.073 0.000 0.982 380 V CB 1.332 33.227 31.823 0.120 0.000 1.039 380 V HN 0.513 nan 8.190 nan 0.000 0.437 381 P HA 0.250 nan 4.420 nan 0.000 0.265 381 P C -0.504 176.898 177.300 0.170 0.000 1.187 381 P CA 0.314 63.486 63.100 0.121 0.000 0.766 381 P CB 0.305 32.078 31.700 0.120 0.000 0.820 382 E N 1.077 121.381 120.200 0.174 0.000 2.281 382 E HA 0.702 5.080 4.350 0.047 0.000 0.257 382 E C -0.595 176.161 176.600 0.259 0.000 0.971 382 E CA -0.630 55.880 56.400 0.183 0.000 0.839 382 E CB 1.122 30.922 29.700 0.167 0.000 1.238 382 E HN 0.450 nan 8.360 nan 0.000 0.412 383 F N -1.020 118.962 119.950 0.054 0.000 2.745 383 F HA 0.715 5.269 4.527 0.046 0.000 0.316 383 F C -1.656 174.168 175.800 0.040 0.000 1.155 383 F CA -1.168 56.857 58.000 0.042 0.000 0.937 383 F CB 1.053 40.072 39.000 0.031 0.000 1.361 383 F HN 0.392 nan 8.300 nan 0.000 0.472 384 I N 1.213 121.874 120.570 0.151 0.000 2.686 384 I HA 0.421 4.619 4.170 0.047 0.000 0.295 384 I C -1.651 174.597 176.117 0.218 0.000 1.114 384 I CA -0.579 60.733 61.300 0.020 0.000 1.038 384 I CB 2.075 40.091 38.000 0.026 0.000 1.238 384 I HN 0.893 nan 8.210 nan 0.000 0.420 385 N N 7.549 126.324 118.700 0.126 0.000 2.750 385 N HA 0.425 5.193 4.740 0.047 0.000 0.253 385 N C -2.772 172.711 175.510 -0.045 0.000 1.408 385 N CA -1.285 51.851 53.050 0.143 0.000 0.780 385 N CB 1.118 39.772 38.487 0.278 0.000 1.191 385 N HN 0.280 nan 8.380 nan 0.000 0.511 386 P HA 0.150 nan 4.420 nan 0.000 0.271 386 P C -0.898 176.149 177.300 -0.421 0.000 1.216 386 P CA -0.137 62.608 63.100 -0.592 0.000 0.776 386 P CB 0.633 31.588 31.700 -1.240 0.000 0.881 387 K N 3.377 123.565 120.400 -0.353 0.000 2.267 387 K HA 0.261 4.609 4.320 0.047 0.000 0.282 387 K C -0.108 176.406 176.600 -0.142 0.000 1.078 387 K CA -0.241 55.974 56.287 -0.120 0.000 0.903 387 K CB 0.071 32.545 32.500 -0.042 0.000 1.111 387 K HN 0.457 nan 8.250 nan 0.000 0.475 388 Y N 0.018 120.349 120.300 0.051 0.000 2.298 388 Y HA -0.058 4.520 4.550 0.046 0.000 0.329 388 Y C 1.952 177.910 175.900 0.096 0.000 1.293 388 Y CA -0.100 58.075 58.100 0.126 0.000 1.388 388 Y CB 0.827 39.366 38.460 0.133 0.000 1.309 388 Y HN 0.600 nan 8.280 nan 0.000 0.544 389 S N -1.768 114.089 115.700 0.263 0.000 2.503 389 S HA 0.104 4.602 4.470 0.047 0.000 0.217 389 S C -0.159 174.523 174.600 0.136 0.000 0.999 389 S CA 0.184 58.480 58.200 0.159 0.000 0.914 389 S CB 0.154 63.428 63.200 0.124 0.000 0.782 389 S HN 0.582 nan 8.310 nan 0.000 0.520 390 D N 0.397 120.894 120.400 0.161 0.000 2.477 390 D HA 0.371 5.039 4.640 0.047 0.000 0.234 390 D C 0.244 176.583 176.300 0.065 0.000 1.048 390 D CA -0.500 53.557 54.000 0.095 0.000 0.959 390 D CB 1.761 42.603 40.800 0.071 0.000 1.408 390 D HN -0.125 nan 8.370 nan 0.000 0.496 391 E N -0.262 119.951 120.200 0.021 0.000 2.371 391 E HA 0.002 4.380 4.350 0.047 0.000 0.194 391 E C 1.048 177.617 176.600 -0.052 0.000 1.012 391 E CA 0.781 57.165 56.400 -0.026 0.000 0.860 391 E CB 0.223 29.913 29.700 -0.015 0.000 0.811 391 E HN 0.413 nan 8.360 nan 0.000 0.502 392 T N 0.504 115.047 114.554 -0.019 0.000 3.440 392 T HA 0.048 4.426 4.350 0.047 0.000 0.209 392 T C 1.081 175.771 174.700 -0.016 0.000 0.906 392 T CA -0.311 61.778 62.100 -0.019 0.000 1.757 392 T CB -0.018 68.850 68.868 -0.000 0.000 1.568 392 T HN -0.008 nan 8.240 nan 0.000 0.454 393 R N 1.762 122.273 120.500 0.019 0.000 2.640 393 R HA 0.049 4.417 4.340 0.047 0.000 0.270 393 R C 0.414 176.769 176.300 0.091 0.000 1.024 393 R CA 0.134 56.258 56.100 0.039 0.000 1.085 393 R CB 0.299 30.625 30.300 0.043 0.000 0.963 393 R HN 0.275 nan 8.270 nan 0.000 0.426 394 R N 1.387 121.940 120.500 0.089 0.000 2.526 394 R HA -0.004 4.364 4.340 0.047 0.000 0.223 394 R C 0.113 176.544 176.300 0.218 0.000 1.250 394 R CA 0.107 56.326 56.100 0.198 0.000 1.227 394 R CB 0.077 30.442 30.300 0.108 0.000 1.109 394 R HN 0.273 nan 8.270 nan 0.000 0.499 395 S N 0.979 116.801 115.700 0.203 0.000 2.465 395 S HA 0.228 4.726 4.470 0.047 0.000 0.279 395 S C -0.150 174.606 174.600 0.261 0.000 1.201 395 S CA -0.798 57.462 58.200 0.100 0.000 1.053 395 S CB 0.242 63.482 63.200 0.066 0.000 0.953 395 S HN 0.069 nan 8.310 nan 0.000 0.488 396 F N 4.098 124.048 119.950 -0.001 0.000 2.529 396 F HA 0.274 4.829 4.527 0.047 0.000 0.365 396 F C 1.548 177.331 175.800 -0.028 0.000 1.102 396 F CA -0.813 57.127 58.000 -0.101 0.000 1.271 396 F CB 0.569 39.497 39.000 -0.121 0.000 1.120 396 F HN 0.689 nan 8.300 nan 0.000 0.579 397 K N 2.269 122.766 120.400 0.161 0.000 2.116 397 K HA -0.066 4.282 4.320 0.047 0.000 0.203 397 K C 0.008 176.658 176.600 0.082 0.000 1.052 397 K CA 1.055 57.405 56.287 0.104 0.000 0.952 397 K CB 0.254 32.801 32.500 0.079 0.000 0.729 397 K HN 0.740 nan 8.250 nan 0.000 0.446 398 K N 0.351 120.788 120.400 0.062 0.000 2.502 398 K HA 0.404 4.752 4.320 0.047 0.000 0.257 398 K C -3.001 173.631 176.600 0.053 0.000 0.938 398 K CA -2.303 54.015 56.287 0.051 0.000 0.819 398 K CB 1.710 34.220 32.500 0.016 0.000 1.333 398 K HN -0.282 nan 8.250 nan 0.000 0.434 399 P HA -0.088 nan 4.420 nan 0.000 0.264 399 P C -1.018 176.271 177.300 -0.018 0.000 1.173 399 P CA 0.269 63.447 63.100 0.130 0.000 0.761 399 P CB 0.524 32.276 31.700 0.087 0.000 0.794 400 A N 3.153 125.936 122.820 -0.062 0.000 2.311 400 A HA 0.830 5.178 4.320 0.047 0.000 0.334 400 A C -0.054 177.485 177.584 -0.075 0.000 1.139 400 A CA -0.342 51.581 52.037 -0.191 0.000 0.830 400 A CB 1.060 19.775 19.000 -0.474 0.000 1.234 400 A HN 0.611 nan 8.150 nan 0.000 0.483 401 R N 0.958 121.397 120.500 -0.101 0.000 2.799 401 R HA 0.553 4.921 4.340 0.047 0.000 0.270 401 R C -1.593 174.663 176.300 -0.073 0.000 1.010 401 R CA -0.756 55.279 56.100 -0.109 0.000 0.916 401 R CB 0.074 30.330 30.300 -0.074 0.000 1.228 401 R HN 0.563 nan 8.270 nan 0.000 0.469 402 I N 1.731 122.303 120.570 0.003 0.000 2.588 402 I HA 0.143 4.341 4.170 0.047 0.000 0.283 402 I C 0.610 176.684 176.117 -0.071 0.000 1.119 402 I CA 0.294 61.584 61.300 -0.016 0.000 1.419 402 I CB 0.613 38.655 38.000 0.069 0.000 1.394 402 I HN 0.460 nan 8.210 nan 0.000 0.562 403 E N 3.959 123.836 120.200 -0.538 0.000 2.339 403 E HA 0.658 5.036 4.350 0.047 0.000 0.262 403 E C -1.097 175.003 176.600 -0.835 0.000 0.934 403 E CA -0.828 55.087 56.400 -0.808 0.000 0.802 403 E CB 2.276 31.412 29.700 -0.940 0.000 1.275 403 E HN 0.675 nan 8.360 nan 0.000 0.427 404 S N 0.270 115.600 115.700 -0.616 0.000 2.579 404 S HA 0.618 5.116 4.470 0.047 0.000 0.272 404 S C -1.141 173.416 174.600 -0.070 0.000 1.141 404 S CA -0.940 57.150 58.200 -0.184 0.000 0.843 404 S CB 0.838 63.933 63.200 -0.175 0.000 1.122 404 S HN 0.357 nan 8.310 nan 0.000 0.468 405 L N 2.486 123.787 121.223 0.130 0.000 2.346 405 L HA 0.461 4.829 4.340 0.047 0.000 0.276 405 L C 1.535 178.619 176.870 0.358 0.000 1.006 405 L CA -0.958 53.992 54.840 0.183 0.000 0.817 405 L CB 1.959 44.190 42.059 0.286 0.000 1.272 405 L HN 1.039 nan 8.230 nan 0.000 0.421 406 M N 1.564 121.518 119.600 0.590 0.000 2.296 406 M HA -0.141 4.367 4.480 0.047 0.000 0.265 406 M C 1.689 178.188 176.300 0.331 0.000 1.064 406 M CA 1.447 56.971 55.300 0.373 0.000 1.109 406 M CB -0.272 32.397 32.600 0.115 0.000 1.396 406 M HN 0.726 nan 8.290 nan 0.000 0.430 407 Q N 0.188 120.135 119.800 0.245 0.000 2.369 407 Q HA -0.137 4.231 4.340 0.047 0.000 0.206 407 Q C 0.465 176.608 176.000 0.238 0.000 0.963 407 Q CA 1.365 57.283 55.803 0.190 0.000 0.894 407 Q CB -0.802 28.094 28.738 0.262 0.000 0.965 407 Q HN 0.536 nan 8.270 nan 0.000 0.475 408 D N 1.425 121.973 120.400 0.247 0.000 2.378 408 D HA -0.029 4.639 4.640 0.047 0.000 0.222 408 D C 1.677 178.085 176.300 0.180 0.000 0.980 408 D CA 0.187 54.319 54.000 0.220 0.000 0.907 408 D CB -0.226 40.699 40.800 0.209 0.000 0.899 408 D HN 0.348 nan 8.370 nan 0.000 0.527 409 I N 0.492 121.139 120.570 0.129 0.000 2.657 409 I HA -0.282 3.916 4.170 0.047 0.000 0.261 409 I C 1.920 178.200 176.117 0.272 0.000 1.212 409 I CA 0.587 61.918 61.300 0.051 0.000 1.453 409 I CB 0.188 38.027 38.000 -0.269 0.000 1.092 409 I HN -0.082 nan 8.210 nan 0.000 0.452 410 A N 0.391 123.362 122.820 0.253 0.000 2.070 410 A HA -0.128 4.220 4.320 0.047 0.000 0.220 410 A C 2.128 179.923 177.584 0.351 0.000 1.159 410 A CA 1.087 53.296 52.037 0.287 0.000 0.656 410 A CB -0.662 18.540 19.000 0.337 0.000 0.800 410 A HN 0.541 nan 8.150 nan 0.000 0.453 411 L N -0.876 120.510 121.223 0.271 0.000 2.217 411 L HA -0.056 4.312 4.340 0.047 0.000 0.211 411 L C 1.752 178.731 176.870 0.182 0.000 1.107 411 L CA 0.602 55.572 54.840 0.216 0.000 0.783 411 L CB -0.363 41.797 42.059 0.168 0.000 0.919 411 L HN 0.375 nan 8.230 nan 0.000 0.442 412 L N -1.347 119.973 121.223 0.161 0.000 2.599 412 L HA 0.030 4.398 4.340 0.047 0.000 0.230 412 L C -0.000 176.810 176.870 -0.101 0.000 1.141 412 L CA 0.107 54.938 54.840 -0.015 0.000 0.877 412 L CB -0.163 41.793 42.059 -0.171 0.000 1.009 412 L HN 0.077 nan 8.230 nan 0.000 0.447 413 F N 0.783 120.742 119.950 0.014 0.000 2.300 413 F HA 0.174 4.730 4.527 0.047 0.000 0.364 413 F C 1.103 177.026 175.800 0.206 0.000 1.090 413 F CA -0.894 57.125 58.000 0.031 0.000 1.200 413 F CB 0.699 39.686 39.000 -0.022 0.000 1.493 413 F HN -0.071 nan 8.300 nan 0.000 0.518 414 S N 0.454 116.374 115.700 0.367 0.000 2.562 414 S HA 0.033 4.531 4.470 0.047 0.000 0.281 414 S C 1.117 175.905 174.600 0.314 0.000 1.333 414 S CA -0.617 57.757 58.200 0.290 0.000 1.052 414 S CB 1.061 64.382 63.200 0.201 0.000 0.884 414 S HN 0.736 nan 8.310 nan 0.000 0.506 415 E N 0.832 121.185 120.200 0.254 0.000 2.396 415 E HA -0.173 4.205 4.350 0.047 0.000 0.200 415 E C 0.800 177.496 176.600 0.160 0.000 1.023 415 E CA 0.794 57.324 56.400 0.216 0.000 0.857 415 E CB 0.006 29.832 29.700 0.210 0.000 0.775 415 E HN 0.670 nan 8.360 nan 0.000 0.525 416 D N 0.649 121.132 120.400 0.138 0.000 2.149 416 D HA -0.111 4.557 4.640 0.047 0.000 0.201 416 D C 0.495 176.803 176.300 0.013 0.000 0.972 416 D CA 1.237 55.282 54.000 0.075 0.000 0.835 416 D CB 0.137 40.974 40.800 0.062 0.000 0.966 416 D HN 0.313 nan 8.370 nan 0.000 0.476 417 D N -2.307 118.075 120.400 -0.030 0.000 2.539 417 D HA 0.089 4.757 4.640 0.047 0.000 0.232 417 D C -0.583 175.400 176.300 -0.529 0.000 1.256 417 D CA -0.290 53.544 54.000 -0.275 0.000 0.810 417 D CB 0.109 40.674 40.800 -0.393 0.000 1.090 417 D HN 0.098 nan 8.370 nan 0.000 0.519 418 Y N 0.264 120.661 120.300 0.162 0.000 2.534 418 Y HA 0.499 5.077 4.550 0.047 0.000 0.345 418 Y C -0.274 175.743 175.900 0.195 0.000 1.031 418 Y CA -1.183 57.056 58.100 0.231 0.000 1.022 418 Y CB 1.760 40.465 38.460 0.408 0.000 1.292 418 Y HN -0.379 nan 8.280 nan 0.000 0.459 419 R N 1.915 122.626 120.500 0.353 0.000 2.246 419 R HA 0.693 5.061 4.340 0.047 0.000 0.332 419 R C -1.570 174.841 176.300 0.185 0.000 0.974 419 R CA -0.697 55.539 56.100 0.227 0.000 0.837 419 R CB 1.322 31.730 30.300 0.179 0.000 1.145 419 R HN 0.371 nan 8.270 nan 0.000 0.467 420 V N 2.639 122.646 119.914 0.155 0.000 2.409 420 V HA 0.708 4.856 4.120 0.047 0.000 0.291 420 V C 0.436 176.603 176.094 0.122 0.000 1.020 420 V CA -0.613 61.749 62.300 0.103 0.000 0.848 420 V CB 1.586 33.484 31.823 0.125 0.000 0.990 420 V HN 0.973 nan 8.190 nan 0.000 0.430 421 G N 2.570 111.455 108.800 0.141 0.000 2.975 421 G HA2 0.845 4.833 3.960 0.047 0.000 0.291 421 G HA3 0.845 4.833 3.960 0.047 0.000 0.291 421 G C -0.622 174.382 174.900 0.175 0.000 1.334 421 G CA -0.345 44.832 45.100 0.128 0.000 0.843 421 G HN 1.025 nan 8.290 nan 0.000 0.548 422 G N -1.304 107.555 108.800 0.098 0.000 2.612 422 G HA2 0.560 4.548 3.960 0.047 0.000 0.298 422 G HA3 0.560 4.548 3.960 0.047 0.000 0.298 422 G C -1.143 173.819 174.900 0.104 0.000 1.336 422 G CA -0.317 44.850 45.100 0.111 0.000 0.953 422 G HN 0.567 nan 8.290 nan 0.000 0.482 423 T N 0.874 115.504 114.554 0.126 0.000 2.779 423 T HA 0.479 4.857 4.350 0.047 0.000 0.280 423 T C -0.050 174.621 174.700 -0.049 0.000 0.987 423 T CA -0.295 61.826 62.100 0.036 0.000 0.966 423 T CB 1.596 70.499 68.868 0.059 0.000 0.933 423 T HN 0.364 nan 8.240 nan 0.000 0.442 424 V N 4.866 124.666 119.914 -0.190 0.000 2.383 424 V HA 0.502 4.650 4.120 0.047 0.000 0.275 424 V C -0.503 175.416 176.094 -0.292 0.000 1.036 424 V CA -0.605 61.602 62.300 -0.155 0.000 0.889 424 V CB 0.003 31.735 31.823 -0.150 0.000 0.985 424 V HN 0.735 nan 8.190 nan 0.000 0.459 425 F N 1.405 121.331 119.950 -0.040 0.000 2.557 425 F HA 0.500 5.055 4.527 0.047 0.000 0.336 425 F C 0.860 176.649 175.800 -0.017 0.000 1.058 425 F CA -1.021 56.974 58.000 -0.009 0.000 0.988 425 F CB 1.063 40.073 39.000 0.015 0.000 1.275 425 F HN 0.417 nan 8.300 nan 0.000 0.488 426 E N 0.476 120.825 120.200 0.248 0.000 2.415 426 E HA 0.093 4.471 4.350 0.047 0.000 0.262 426 E C 0.763 177.480 176.600 0.194 0.000 1.038 426 E CA -0.063 56.446 56.400 0.182 0.000 0.921 426 E CB 0.645 30.489 29.700 0.239 0.000 0.950 426 E HN 0.479 nan 8.360 nan 0.000 0.438 427 R N 1.525 122.109 120.500 0.141 0.000 2.127 427 R HA -0.175 4.193 4.340 0.047 0.000 0.238 427 R C 1.996 178.454 176.300 0.262 0.000 1.134 427 R CA 1.105 57.304 56.100 0.165 0.000 0.975 427 R CB -0.303 30.077 30.300 0.133 0.000 0.865 427 R HN 0.583 nan 8.270 nan 0.000 0.447 428 F N 1.907 121.940 119.950 0.139 0.000 2.250 428 F HA -0.205 4.347 4.527 0.043 0.000 0.301 428 F C 2.167 178.041 175.800 0.123 0.000 1.077 428 F CA 1.616 59.690 58.000 0.124 0.000 1.348 428 F CB -0.150 38.910 39.000 0.100 0.000 1.040 428 F HN -0.040 nan 8.300 nan 0.000 0.509 429 S N -1.409 114.339 115.700 0.081 0.000 2.607 429 S HA -0.107 4.391 4.470 0.047 0.000 0.224 429 S C 0.296 174.876 174.600 -0.032 0.000 0.969 429 S CA -0.213 57.969 58.200 -0.031 0.000 0.927 429 S CB -1.061 62.176 63.200 0.062 0.000 0.772 429 S HN 0.402 nan 8.310 nan 0.000 0.533 430 Y N 2.712 122.945 120.300 -0.112 0.000 2.434 430 Y HA 0.505 5.084 4.550 0.049 0.000 0.341 430 Y C -0.069 175.797 175.900 -0.055 0.000 0.965 430 Y CA -1.093 56.953 58.100 -0.090 0.000 1.205 430 Y CB 0.693 39.116 38.460 -0.061 0.000 1.121 430 Y HN 0.205 nan 8.280 nan 0.000 0.507 431 Q N 8.130 127.702 119.800 -0.381 0.000 2.506 431 Q HA 0.258 4.626 4.340 0.047 0.000 0.380 431 Q C -2.693 173.130 176.000 -0.295 0.000 0.867 431 Q CA -1.870 53.755 55.803 -0.296 0.000 1.093 431 Q CB 1.061 29.670 28.738 -0.215 0.000 1.388 431 Q HN 0.506 nan 8.270 nan 0.000 0.400 432 P HA 0.078 nan 4.420 nan 0.000 0.274 432 P C -0.180 177.005 177.300 -0.190 0.000 1.231 432 P CA -0.194 62.683 63.100 -0.371 0.000 0.790 432 P CB 1.641 33.038 31.700 -0.505 0.000 0.951 433 V N 4.189 123.995 119.914 -0.179 0.000 2.259 433 V HA 0.166 4.314 4.120 0.047 0.000 0.267 433 V C 1.228 177.264 176.094 -0.097 0.000 1.051 433 V CA 0.078 62.313 62.300 -0.109 0.000 0.830 433 V CB 0.460 32.210 31.823 -0.122 0.000 1.080 433 V HN 0.581 nan 8.190 nan 0.000 0.467 434 K N 1.587 121.964 120.400 -0.038 0.000 2.367 434 K HA 0.297 4.645 4.320 0.047 0.000 0.198 434 K C 0.232 176.846 176.600 0.023 0.000 1.132 434 K CA 0.250 56.528 56.287 -0.016 0.000 0.941 434 K CB 0.569 33.064 32.500 -0.010 0.000 1.052 434 K HN 0.461 nan 8.250 nan 0.000 0.507 435 N N 1.629 120.357 118.700 0.048 0.000 2.405 435 N HA 0.090 4.858 4.740 0.047 0.000 0.299 435 N C -0.314 175.227 175.510 0.052 0.000 1.075 435 N CA -0.148 52.937 53.050 0.059 0.000 0.884 435 N CB 1.842 40.378 38.487 0.081 0.000 1.194 435 N HN 0.030 nan 8.380 nan 0.000 0.491 436 S N 0.735 116.468 115.700 0.054 0.000 2.576 436 S HA 0.041 4.539 4.470 0.047 0.000 0.272 436 S C 1.479 176.124 174.600 0.074 0.000 1.352 436 S CA -0.453 57.778 58.200 0.053 0.000 1.021 436 S CB 0.505 63.736 63.200 0.051 0.000 0.887 436 S HN 0.394 nan 8.310 nan 0.000 0.542 437 L N 1.399 122.662 121.223 0.067 0.000 2.043 437 L HA -0.081 4.287 4.340 0.047 0.000 0.212 437 L C 2.775 179.715 176.870 0.116 0.000 1.075 437 L CA 2.308 57.206 54.840 0.098 0.000 0.752 437 L CB -1.465 40.615 42.059 0.036 0.000 0.891 437 L HN 1.031 nan 8.230 nan 0.000 0.432 438 E N -0.770 119.477 120.200 0.078 0.000 2.110 438 E HA -0.239 4.139 4.350 0.047 0.000 0.193 438 E C 1.967 178.620 176.600 0.087 0.000 0.988 438 E CA 1.265 57.711 56.400 0.076 0.000 0.804 438 E CB 0.060 29.792 29.700 0.053 0.000 0.745 438 E HN 0.567 nan 8.360 nan 0.000 0.458 439 E N 0.036 120.285 120.200 0.082 0.000 2.072 439 E HA -0.167 4.211 4.350 0.047 0.000 0.191 439 E C 1.977 178.628 176.600 0.085 0.000 0.985 439 E CA 0.997 57.444 56.400 0.077 0.000 0.801 439 E CB -0.110 29.632 29.700 0.070 0.000 0.750 439 E HN 0.344 nan 8.360 nan 0.000 0.452 440 A N 1.384 124.269 122.820 0.108 0.000 1.902 440 A HA -0.141 4.207 4.320 0.047 0.000 0.217 440 A C 2.379 180.038 177.584 0.126 0.000 1.181 440 A CA 1.652 53.742 52.037 0.087 0.000 0.623 440 A CB -0.767 18.313 19.000 0.134 0.000 0.818 440 A HN 0.303 nan 8.150 nan 0.000 0.443 441 A N -0.311 122.673 122.820 0.273 0.000 1.859 441 A HA -0.000 4.348 4.320 0.047 0.000 0.217 441 A C 2.493 180.157 177.584 0.134 0.000 1.198 441 A CA 2.298 54.497 52.037 0.270 0.000 0.629 441 A CB -1.600 17.519 19.000 0.198 0.000 0.830 441 A HN 0.830 nan 8.150 nan 0.000 0.446 442 G N -0.559 108.299 108.800 0.096 0.000 2.440 442 G HA2 -0.180 3.808 3.960 0.047 0.000 0.218 442 G HA3 -0.180 3.808 3.960 0.047 0.000 0.218 442 G C 1.598 176.525 174.900 0.046 0.000 1.154 442 G CA 1.106 46.246 45.100 0.066 0.000 0.767 442 G HN 0.433 nan 8.290 nan 0.000 0.552 443 L N 0.004 121.247 121.223 0.033 0.000 2.017 443 L HA -0.086 4.282 4.340 0.047 0.000 0.208 443 L C 3.026 179.878 176.870 -0.029 0.000 1.073 443 L CA 0.557 55.401 54.840 0.007 0.000 0.745 443 L CB -0.461 41.597 42.059 -0.000 0.000 0.894 443 L HN 0.095 nan 8.230 nan 0.000 0.432 444 V N -0.012 119.858 119.914 -0.074 0.000 2.392 444 V HA -0.319 3.829 4.120 0.047 0.000 0.249 444 V C 2.681 178.761 176.094 -0.023 0.000 1.059 444 V CA 1.804 64.036 62.300 -0.113 0.000 1.051 444 V CB -0.779 30.910 31.823 -0.223 0.000 0.658 444 V HN 0.507 nan 8.190 nan 0.000 0.455 445 A N -0.890 121.943 122.820 0.021 0.000 1.972 445 A HA -0.237 4.111 4.320 0.047 0.000 0.219 445 A C 2.001 179.600 177.584 0.025 0.000 1.169 445 A CA 1.442 53.500 52.037 0.035 0.000 0.635 445 A CB -0.378 18.652 19.000 0.050 0.000 0.810 445 A HN 0.652 nan 8.150 nan 0.000 0.446 446 Q N -1.251 118.561 119.800 0.021 0.000 2.373 446 Q HA 0.291 4.659 4.340 0.047 0.000 0.206 446 Q C 1.008 177.017 176.000 0.015 0.000 0.942 446 Q CA 0.287 56.103 55.803 0.023 0.000 0.953 446 Q CB 0.002 28.759 28.738 0.031 0.000 1.022 446 Q HN 0.830 nan 8.270 nan 0.000 0.502 447 G N 0.934 109.735 108.800 0.002 0.000 2.148 447 G HA2 -0.242 3.746 3.960 0.047 0.000 0.254 447 G HA3 -0.242 3.746 3.960 0.047 0.000 0.254 447 G C 0.004 174.896 174.900 -0.014 0.000 0.981 447 G CA 0.016 45.112 45.100 -0.005 0.000 0.670 447 G HN 0.317 nan 8.290 nan 0.000 0.528 448 N N 0.227 118.915 118.700 -0.021 0.000 2.502 448 N HA 0.536 5.304 4.740 0.047 0.000 0.280 448 N C 0.801 176.249 175.510 -0.103 0.000 1.223 448 N CA 0.221 53.259 53.050 -0.020 0.000 0.966 448 N CB 0.839 39.342 38.487 0.026 0.000 1.203 448 N HN 0.346 nan 8.380 nan 0.000 0.565 449 G N -0.641 108.086 108.800 -0.123 0.000 2.365 449 G HA2 0.313 4.301 3.960 0.047 0.000 0.249 449 G HA3 0.313 4.301 3.960 0.047 0.000 0.249 449 G C 0.872 175.506 174.900 -0.443 0.000 1.288 449 G CA -0.063 44.770 45.100 -0.445 0.000 0.887 449 G HN 0.603 nan 8.290 nan 0.000 0.524 450 A N 3.209 125.706 122.820 -0.538 0.000 1.872 450 A HA 0.125 4.473 4.320 0.047 0.000 0.214 450 A C 1.032 178.504 177.584 -0.187 0.000 1.187 450 A CA 0.879 52.695 52.037 -0.369 0.000 0.614 450 A CB -0.646 18.023 19.000 -0.552 0.000 0.826 450 A HN 1.092 nan 8.150 nan 0.000 0.442 451 Y N -1.465 118.772 120.300 -0.105 0.000 2.981 451 Y HA -0.244 4.337 4.550 0.051 0.000 0.204 451 Y C 0.871 176.723 175.900 -0.080 0.000 1.265 451 Y CA -0.235 57.796 58.100 -0.114 0.000 0.941 451 Y CB -2.793 35.591 38.460 -0.127 0.000 1.254 451 Y HN 0.718 nan 8.280 nan 0.000 0.469 452 C N -3.753 115.573 119.300 0.043 0.000 2.871 452 C HA 0.934 5.422 4.460 0.047 0.000 0.351 452 C C 1.875 176.879 174.990 0.023 0.000 1.338 452 C CA -0.478 58.569 59.018 0.049 0.000 1.686 452 C CB 1.353 29.151 27.740 0.098 0.000 2.135 452 C HN 0.642 nan 8.230 nan 0.000 0.476 453 A N 0.374 123.188 122.820 -0.010 0.000 1.933 453 A HA 0.162 4.510 4.320 0.047 0.000 0.218 453 A C 2.281 179.857 177.584 -0.014 0.000 1.175 453 A CA 2.616 54.619 52.037 -0.057 0.000 0.628 453 A CB -1.321 17.599 19.000 -0.134 0.000 0.814 453 A HN 1.660 nan 8.150 nan 0.000 0.444 454 A N -0.306 122.552 122.820 0.063 0.000 1.877 454 A HA -0.111 4.237 4.320 0.047 0.000 0.216 454 A C 2.431 180.158 177.584 0.238 0.000 1.186 454 A CA 2.555 54.738 52.037 0.244 0.000 0.620 454 A CB -1.274 17.928 19.000 0.338 0.000 0.822 454 A HN 0.778 nan 8.150 nan 0.000 0.443 455 T N -3.320 111.330 114.554 0.159 0.000 3.043 455 T HA 0.178 4.556 4.350 0.047 0.000 0.263 455 T C 1.847 176.559 174.700 0.019 0.000 1.094 455 T CA 1.207 63.358 62.100 0.085 0.000 1.127 455 T CB -0.454 68.405 68.868 -0.014 0.000 0.905 455 T HN 0.374 nan 8.240 nan 0.000 0.490 456 G N 1.545 110.346 108.800 0.002 0.000 2.433 456 G HA2 -0.229 3.759 3.960 0.047 0.000 0.216 456 G HA3 -0.229 3.759 3.960 0.047 0.000 0.216 456 G C 1.421 176.274 174.900 -0.079 0.000 1.186 456 G CA 0.949 46.027 45.100 -0.037 0.000 0.779 456 G HN 0.644 nan 8.290 nan 0.000 0.543 457 E N 0.443 120.591 120.200 -0.086 0.000 2.077 457 E HA -0.013 4.365 4.350 0.047 0.000 0.193 457 E C 2.752 179.190 176.600 -0.271 0.000 0.989 457 E CA 1.076 57.340 56.400 -0.227 0.000 0.800 457 E CB -0.286 29.362 29.700 -0.087 0.000 0.746 457 E HN 0.323 nan 8.360 nan 0.000 0.452 458 A N 1.147 123.949 122.820 -0.030 0.000 1.902 458 A HA -0.098 4.250 4.320 0.047 0.000 0.217 458 A C 2.408 180.035 177.584 0.072 0.000 1.181 458 A CA 1.795 53.863 52.037 0.051 0.000 0.623 458 A CB -0.819 18.248 19.000 0.112 0.000 0.818 458 A HN 0.428 nan 8.150 nan 0.000 0.443 459 A N -1.393 121.453 122.820 0.043 0.000 1.972 459 A HA -0.024 4.324 4.320 0.047 0.000 0.219 459 A C 2.020 179.611 177.584 0.012 0.000 1.169 459 A CA 1.519 53.581 52.037 0.041 0.000 0.635 459 A CB -0.656 18.243 19.000 -0.168 0.000 0.810 459 A HN 0.650 nan 8.150 nan 0.000 0.446 460 F N -0.460 119.360 119.950 -0.216 0.000 2.084 460 F HA -0.166 4.387 4.527 0.043 0.000 0.296 460 F C 2.135 177.879 175.800 -0.093 0.000 1.111 460 F CA 1.720 59.575 58.000 -0.242 0.000 1.224 460 F CB -0.388 38.356 39.000 -0.426 0.000 0.991 460 F HN 0.300 nan 8.300 nan 0.000 0.471 461 Y N 0.583 120.939 120.300 0.093 0.000 2.165 461 Y HA -0.228 4.346 4.550 0.040 0.000 0.286 461 Y C 2.511 178.346 175.900 -0.108 0.000 1.155 461 Y CA 1.585 59.658 58.100 -0.046 0.000 1.164 461 Y CB -1.401 37.023 38.460 -0.059 0.000 0.978 461 Y HN 0.212 nan 8.280 nan 0.000 0.513 462 E N 0.360 120.651 120.200 0.152 0.000 2.106 462 E HA -0.149 4.229 4.350 0.047 0.000 0.192 462 E C 2.072 178.763 176.600 0.153 0.000 0.984 462 E CA 0.717 57.203 56.400 0.143 0.000 0.806 462 E CB -0.552 29.298 29.700 0.249 0.000 0.750 462 E HN 0.332 nan 8.360 nan 0.000 0.458 463 L N 0.557 121.908 121.223 0.214 0.000 2.017 463 L HA -0.200 4.168 4.340 0.047 0.000 0.208 463 L C 1.947 178.796 176.870 -0.036 0.000 1.073 463 L CA 1.846 56.789 54.840 0.173 0.000 0.745 463 L CB -0.740 41.313 42.059 -0.010 0.000 0.894 463 L HN 0.107 nan 8.230 nan 0.000 0.432 464 Q N 0.160 119.844 119.800 -0.194 0.000 2.061 464 Q HA -0.211 4.157 4.340 0.047 0.000 0.204 464 Q C 2.364 178.310 176.000 -0.090 0.000 0.984 464 Q CA 1.961 57.664 55.803 -0.167 0.000 0.846 464 Q CB -0.607 28.018 28.738 -0.189 0.000 0.902 464 Q HN 0.579 nan 8.270 nan 0.000 0.421 465 R N 0.378 120.824 120.500 -0.091 0.000 2.073 465 R HA -0.050 4.318 4.340 0.047 0.000 0.234 465 R C 2.454 178.728 176.300 -0.043 0.000 1.134 465 R CA 1.210 57.254 56.100 -0.093 0.000 0.952 465 R CB -0.244 29.960 30.300 -0.160 0.000 0.850 465 R HN 0.242 nan 8.270 nan 0.000 0.433 466 R N 0.113 120.598 120.500 -0.025 0.000 2.096 466 R HA -0.029 4.339 4.340 0.047 0.000 0.235 466 R C 2.356 178.663 176.300 0.012 0.000 1.127 466 R CA 0.908 56.987 56.100 -0.035 0.000 0.968 466 R CB -0.140 30.116 30.300 -0.073 0.000 0.861 466 R HN 0.122 nan 8.270 nan 0.000 0.440 467 R N 0.817 121.330 120.500 0.022 0.000 2.081 467 R HA -0.068 4.300 4.340 0.047 0.000 0.235 467 R C 2.314 178.615 176.300 0.002 0.000 1.131 467 R CA 1.154 57.274 56.100 0.033 0.000 0.960 467 R CB -0.647 29.671 30.300 0.030 0.000 0.856 467 R HN 0.281 nan 8.270 nan 0.000 0.436 468 L N 0.690 121.887 121.223 -0.042 0.000 2.109 468 L HA -0.099 4.269 4.340 0.047 0.000 0.207 468 L C 2.353 179.150 176.870 -0.121 0.000 1.086 468 L CA 1.204 55.984 54.840 -0.100 0.000 0.760 468 L CB -0.269 41.681 42.059 -0.181 0.000 0.910 468 L HN 0.118 nan 8.230 nan 0.000 0.437 469 K N 0.090 120.429 120.400 -0.102 0.000 2.209 469 K HA -0.101 4.247 4.320 0.047 0.000 0.204 469 K C 2.093 178.655 176.600 -0.064 0.000 1.048 469 K CA 1.132 57.353 56.287 -0.110 0.000 0.940 469 K CB -0.169 32.261 32.500 -0.116 0.000 0.729 469 K HN 0.264 nan 8.250 nan 0.000 0.451 470 A N 1.704 124.512 122.820 -0.019 0.000 2.067 470 A HA -0.086 4.262 4.320 0.047 0.000 0.219 470 A C 1.876 179.462 177.584 0.003 0.000 1.158 470 A CA 0.954 53.000 52.037 0.015 0.000 0.661 470 A CB -0.613 18.419 19.000 0.054 0.000 0.801 470 A HN 0.472 nan 8.150 nan 0.000 0.452 471 I N -5.552 115.011 120.570 -0.012 0.000 3.891 471 I HA 0.557 4.755 4.170 0.047 0.000 0.331 471 I C 1.004 177.105 176.117 -0.027 0.000 1.406 471 I CA 0.445 61.742 61.300 -0.004 0.000 1.139 471 I CB 0.081 38.094 38.000 0.022 0.000 1.056 471 I HN 0.242 nan 8.210 nan 0.000 0.399 472 G N 1.650 110.417 108.800 -0.055 0.000 2.175 472 G HA2 -0.260 3.728 3.960 0.047 0.000 0.244 472 G HA3 -0.260 3.728 3.960 0.047 0.000 0.244 472 G C -0.095 174.735 174.900 -0.118 0.000 0.982 472 G CA 0.019 45.078 45.100 -0.069 0.000 0.641 472 G HN 0.370 nan 8.290 nan 0.000 0.527 473 L N 2.835 123.952 121.223 -0.177 0.000 2.513 473 L HA 0.452 4.820 4.340 0.047 0.000 0.272 473 L C -1.521 175.211 176.870 -0.231 0.000 1.187 473 L CA -1.239 53.443 54.840 -0.263 0.000 0.895 473 L CB 0.303 42.117 42.059 -0.408 0.000 1.147 473 L HN 0.037 nan 8.230 nan 0.000 0.483 474 P HA 0.192 nan 4.420 nan 0.000 0.245 474 P C -1.095 176.041 177.300 -0.273 0.000 1.740 474 P CA -0.140 62.823 63.100 -0.228 0.000 1.125 474 P CB 0.141 31.853 31.700 0.021 0.000 1.747 475 L N 4.372 125.379 121.223 -0.359 0.000 2.255 475 L HA 0.410 4.778 4.340 0.047 0.000 0.289 475 L C 0.089 176.767 176.870 -0.321 0.000 1.046 475 L CA -0.678 54.060 54.840 -0.170 0.000 0.816 475 L CB 0.088 42.146 42.059 -0.001 0.000 1.197 475 L HN 0.163 nan 8.230 nan 0.000 0.427 476 F N 3.974 123.970 119.950 0.077 0.000 2.415 476 F HA 0.556 5.110 4.527 0.044 0.000 0.348 476 F C -0.026 175.842 175.800 0.114 0.000 1.119 476 F CA -0.616 57.387 58.000 0.006 0.000 1.069 476 F CB 0.986 39.976 39.000 -0.017 0.000 1.124 476 F HN 0.303 nan 8.300 nan 0.000 0.472 477 Y N -0.570 119.768 120.300 0.063 0.000 2.604 477 Y HA 0.481 5.057 4.550 0.043 0.000 0.331 477 Y C -0.642 175.254 175.900 -0.007 0.000 1.158 477 Y CA -1.593 56.504 58.100 -0.005 0.000 1.056 477 Y CB 0.584 39.010 38.460 -0.057 0.000 1.330 477 Y HN 0.405 nan 8.280 nan 0.000 0.457 478 S N 0.837 116.613 115.700 0.128 0.000 2.560 478 S HA 0.143 4.641 4.470 0.047 0.000 0.284 478 S C 1.081 175.740 174.600 0.099 0.000 1.327 478 S CA 0.247 58.486 58.200 0.065 0.000 1.055 478 S CB 0.306 63.546 63.200 0.067 0.000 0.868 478 S HN 1.044 nan 8.310 nan 0.000 0.506 479 S N 3.514 119.228 115.700 0.024 0.000 2.603 479 S HA 0.119 4.617 4.470 0.047 0.000 0.220 479 S C 0.465 175.103 174.600 0.064 0.000 0.967 479 S CA -0.211 58.014 58.200 0.041 0.000 0.920 479 S CB -0.056 63.135 63.200 -0.015 0.000 0.773 479 S HN 0.739 nan 8.310 nan 0.000 0.529 480 Q N 2.839 122.677 119.800 0.064 0.000 2.373 480 Q HA 0.356 4.724 4.340 0.047 0.000 0.255 480 Q C -2.500 173.545 176.000 0.075 0.000 0.980 480 Q CA -1.869 53.971 55.803 0.062 0.000 0.882 480 Q CB 0.109 28.880 28.738 0.055 0.000 1.249 480 Q HN 0.274 nan 8.270 nan 0.000 0.438 481 P HA 0.094 nan 4.420 nan 0.000 0.274 481 P C -0.456 176.882 177.300 0.064 0.000 1.231 481 P CA 0.025 63.168 63.100 0.072 0.000 0.790 481 P CB 0.732 32.479 31.700 0.077 0.000 0.951 482 E N -0.407 119.825 120.200 0.054 0.000 2.511 482 E HA 0.247 4.625 4.350 0.047 0.000 0.209 482 E C -0.036 176.588 176.600 0.040 0.000 0.986 482 E CA -0.113 56.326 56.400 0.065 0.000 0.974 482 E CB 1.003 30.770 29.700 0.111 0.000 1.030 482 E HN 0.133 nan 8.360 nan 0.000 0.490 483 V N 0.930 120.847 119.914 0.005 0.000 3.120 483 V HA 0.357 4.505 4.120 0.047 0.000 0.303 483 V C -1.304 174.790 176.094 0.001 0.000 1.238 483 V CA -0.577 61.725 62.300 0.002 0.000 1.008 483 V CB 2.296 34.088 31.823 -0.051 0.000 1.064 483 V HN 0.203 nan 8.190 nan 0.000 0.434 484 T N 2.675 117.229 114.554 -0.001 0.000 2.888 484 T HA 0.858 5.236 4.350 0.047 0.000 0.284 484 T C -0.355 174.286 174.700 -0.099 0.000 1.017 484 T CA -0.067 62.000 62.100 -0.055 0.000 1.022 484 T CB 1.544 70.388 68.868 -0.040 0.000 1.013 484 T HN 1.625 nan 8.240 nan 0.000 0.465 485 V N -1.256 118.495 119.914 -0.272 0.000 3.164 485 V HA 0.923 5.071 4.120 0.047 0.000 0.313 485 V C 0.566 176.432 176.094 -0.379 0.000 1.188 485 V CA -1.006 61.128 62.300 -0.277 0.000 1.058 485 V CB 0.590 32.256 31.823 -0.262 0.000 1.110 485 V HN 2.321 nan 8.190 nan 0.000 0.453 486 A N 0.955 123.627 122.820 -0.247 0.000 2.416 486 A HA -0.139 4.209 4.320 0.047 0.000 0.293 486 A C 0.718 178.244 177.584 -0.098 0.000 1.452 486 A CA 1.050 52.992 52.037 -0.158 0.000 0.738 486 A CB -2.128 16.765 19.000 -0.177 0.000 1.123 486 A HN 1.489 nan 8.150 nan 0.000 0.389 487 K N -0.380 119.983 120.400 -0.063 0.000 3.177 487 K HA -0.258 4.090 4.320 0.047 0.000 0.266 487 K C 0.166 176.747 176.600 -0.032 0.000 0.937 487 K CA 1.302 57.570 56.287 -0.031 0.000 0.702 487 K CB -1.314 31.182 32.500 -0.006 0.000 1.365 487 K HN 1.180 nan 8.250 nan 0.000 0.466 488 D N -3.272 117.092 120.400 -0.060 0.000 3.090 488 D HA -0.227 4.441 4.640 0.047 0.000 0.215 488 D C 0.981 177.269 176.300 -0.021 0.000 1.140 488 D CA 1.310 55.287 54.000 -0.039 0.000 0.937 488 D CB -1.037 39.760 40.800 -0.005 0.000 1.108 488 D HN 0.576 nan 8.370 nan 0.000 0.420 489 A N -0.668 122.126 122.820 -0.043 0.000 1.897 489 A HA 0.323 4.671 4.320 0.047 0.000 0.215 489 A C 0.831 178.532 177.584 0.195 0.000 1.181 489 A CA 1.593 53.677 52.037 0.078 0.000 0.620 489 A CB -0.046 19.045 19.000 0.152 0.000 0.821 489 A HN 0.471 nan 8.150 nan 0.000 0.443 490 F N -4.367 115.604 119.950 0.035 0.000 2.711 490 F HA 0.719 5.293 4.527 0.079 0.000 0.313 490 F C -0.163 175.663 175.800 0.044 0.000 1.141 490 F CA -0.903 57.117 58.000 0.034 0.000 0.941 490 F CB 0.730 39.745 39.000 0.025 0.000 1.349 490 F HN 0.156 nan 8.300 nan 0.000 0.464 491 G N 0.191 109.130 108.800 0.233 0.000 2.473 491 G HA2 0.713 4.701 3.960 0.047 0.000 0.321 491 G HA3 0.713 4.701 3.960 0.047 0.000 0.321 491 G C -1.472 173.556 174.900 0.213 0.000 1.200 491 G CA -0.679 44.498 45.100 0.129 0.000 0.963 491 G HN 1.445 nan 8.290 nan 0.000 0.483 492 V N -1.360 118.631 119.914 0.128 0.000 3.074 492 V HA 0.942 5.090 4.120 0.047 0.000 0.314 492 V C -0.358 175.758 176.094 0.036 0.000 1.117 492 V CA -1.346 61.022 62.300 0.113 0.000 1.014 492 V CB 1.805 33.708 31.823 0.133 0.000 1.057 492 V HN 1.164 nan 8.190 nan 0.000 0.438 493 R N 1.670 122.199 120.500 0.049 0.000 2.778 493 R HA 0.772 5.140 4.340 0.047 0.000 0.277 493 R C -0.860 175.445 176.300 0.008 0.000 0.977 493 R CA -0.861 55.259 56.100 0.034 0.000 0.950 493 R CB 2.074 32.421 30.300 0.079 0.000 1.165 493 R HN 0.722 nan 8.270 nan 0.000 0.474 494 L N 0.328 121.525 121.223 -0.044 0.000 2.624 494 L HA 0.377 4.745 4.340 0.047 0.000 0.222 494 L C -0.082 176.568 176.870 -0.366 0.000 1.046 494 L CA -0.203 54.542 54.840 -0.159 0.000 0.872 494 L CB 0.255 42.079 42.059 -0.392 0.000 1.190 494 L HN 0.466 nan 8.230 nan 0.000 0.487 495 F N 1.672 121.530 119.950 -0.153 0.000 2.371 495 F HA 0.353 4.897 4.527 0.029 0.000 0.329 495 F C -1.907 173.693 175.800 -0.333 0.000 1.107 495 F CA -2.456 55.405 58.000 -0.232 0.000 1.137 495 F CB 0.142 39.053 39.000 -0.148 0.000 1.214 495 F HN -0.237 nan 8.300 nan 0.000 0.536 496 P HA 0.210 nan 4.420 nan 0.000 0.275 496 P C -0.622 176.503 177.300 -0.292 0.000 1.227 496 P CA 0.050 63.078 63.100 -0.120 0.000 0.781 496 P CB 1.039 32.630 31.700 -0.181 0.000 0.906 497 I N 3.945 124.322 120.570 -0.323 0.000 2.315 497 I HA 0.316 4.514 4.170 0.047 0.000 0.291 497 I C 0.376 176.321 176.117 -0.287 0.000 1.006 497 I CA -0.382 60.593 61.300 -0.542 0.000 1.265 497 I CB 0.407 37.943 38.000 -0.773 0.000 1.387 497 I HN 0.122 nan 8.210 nan 0.000 0.475 498 I N 7.478 127.942 120.570 -0.178 0.000 2.476 498 I HA 0.333 4.531 4.170 0.047 0.000 0.281 498 I C -0.931 175.212 176.117 0.042 0.000 1.040 498 I CA -0.611 60.648 61.300 -0.068 0.000 1.094 498 I CB 1.732 39.688 38.000 -0.073 0.000 1.219 498 I HN 0.139 nan 8.210 nan 0.000 0.450 499 V N 7.235 127.198 119.914 0.081 0.000 2.407 499 V HA 0.457 4.605 4.120 0.047 0.000 0.291 499 V C -0.119 176.058 176.094 0.138 0.000 1.018 499 V CA -0.463 61.945 62.300 0.181 0.000 0.842 499 V CB 1.878 33.859 31.823 0.263 0.000 0.996 499 V HN 0.483 nan 8.190 nan 0.000 0.426 500 L N 4.907 126.217 121.223 0.145 0.000 2.295 500 L HA 0.580 4.948 4.340 0.047 0.000 0.285 500 L C 0.216 177.159 176.870 0.122 0.000 1.035 500 L CA -0.688 54.217 54.840 0.109 0.000 0.806 500 L CB 1.569 43.688 42.059 0.099 0.000 1.214 500 L HN 0.709 nan 8.230 nan 0.000 0.426 501 D N 0.286 120.738 120.400 0.087 0.000 2.433 501 D HA 0.037 4.705 4.640 0.047 0.000 0.255 501 D C 1.080 177.424 176.300 0.073 0.000 1.226 501 D CA -0.103 53.948 54.000 0.086 0.000 1.015 501 D CB 0.782 41.619 40.800 0.061 0.000 1.091 501 D HN 0.641 nan 8.370 nan 0.000 0.527 502 T N -2.508 112.083 114.554 0.061 0.000 2.995 502 T HA -0.049 4.329 4.350 0.047 0.000 0.269 502 T C 1.901 176.615 174.700 0.022 0.000 1.091 502 T CA 0.864 62.996 62.100 0.053 0.000 1.128 502 T CB -0.579 68.309 68.868 0.034 0.000 0.891 502 T HN 0.225 nan 8.240 nan 0.000 0.492 503 V N 0.916 120.838 119.914 0.013 0.000 2.358 503 V HA -0.135 4.013 4.120 0.047 0.000 0.246 503 V C 3.061 179.154 176.094 -0.002 0.000 1.047 503 V CA 1.428 63.728 62.300 0.000 0.000 1.035 503 V CB -0.958 30.865 31.823 -0.000 0.000 0.658 503 V HN 0.778 nan 8.190 nan 0.000 0.452 504 C N 0.498 119.799 119.300 0.002 0.000 2.462 504 C HA 0.001 4.489 4.460 0.047 0.000 0.278 504 C C 2.716 177.698 174.990 -0.014 0.000 1.253 504 C CA 1.188 60.194 59.018 -0.019 0.000 1.713 504 C CB -0.922 26.806 27.740 -0.020 0.000 2.049 504 C HN 0.547 nan 8.230 nan 0.000 0.477 505 A N -1.353 121.481 122.820 0.023 0.000 2.303 505 A HA 0.423 4.771 4.320 0.047 0.000 0.217 505 A C 1.199 178.818 177.584 0.057 0.000 1.205 505 A CA 1.561 53.626 52.037 0.045 0.000 0.875 505 A CB -0.368 18.682 19.000 0.084 0.000 0.910 505 A HN 1.081 nan 8.150 nan 0.000 0.501 506 S N -0.517 115.207 115.700 0.041 0.000 4.064 506 S HA -0.331 4.167 4.470 0.047 0.000 0.625 506 S C 1.707 176.347 174.600 0.066 0.000 2.010 506 S CA 3.027 61.243 58.200 0.027 0.000 4.186 506 S CB -1.723 61.484 63.200 0.012 0.000 0.211 506 S HN 1.877 nan 8.310 nan 0.000 0.605 507 S N 1.315 117.054 115.700 0.066 0.000 2.515 507 S HA 0.353 4.851 4.470 0.047 0.000 0.231 507 S C 2.040 176.836 174.600 0.326 0.000 0.987 507 S CA 1.281 59.576 58.200 0.157 0.000 0.936 507 S CB -0.336 62.919 63.200 0.092 0.000 0.766 507 S HN 2.521 nan 8.310 nan 0.000 0.528 508 G N 1.371 110.292 108.800 0.200 0.000 2.159 508 G HA2 -0.301 3.687 3.960 0.047 0.000 0.256 508 G HA3 -0.301 3.687 3.960 0.047 0.000 0.256 508 G C 0.229 175.215 174.900 0.144 0.000 0.977 508 G CA 0.342 45.545 45.100 0.171 0.000 0.652 508 G HN 1.485 nan 8.290 nan 0.000 0.531 509 S N -0.346 115.438 115.700 0.140 0.000 2.569 509 S HA 0.459 4.957 4.470 0.047 0.000 0.274 509 S C 1.809 176.462 174.600 0.089 0.000 1.353 509 S CA 0.108 58.374 58.200 0.111 0.000 1.023 509 S CB 0.945 64.201 63.200 0.094 0.000 0.876 509 S HN 0.533 nan 8.310 nan 0.000 0.540 510 L N 0.626 121.896 121.223 0.078 0.000 2.013 510 L HA -0.171 4.197 4.340 0.047 0.000 0.212 510 L C 2.316 179.223 176.870 0.063 0.000 1.073 510 L CA 1.821 56.701 54.840 0.067 0.000 0.753 510 L CB -0.837 41.256 42.059 0.056 0.000 0.890 510 L HN 0.669 nan 8.230 nan 0.000 0.432 511 D N -0.067 120.366 120.400 0.055 0.000 2.123 511 D HA -0.184 4.484 4.640 0.047 0.000 0.196 511 D C 1.844 178.172 176.300 0.047 0.000 0.992 511 D CA 1.220 55.247 54.000 0.045 0.000 0.833 511 D CB -0.230 40.592 40.800 0.036 0.000 0.954 511 D HN 0.284 nan 8.370 nan 0.000 0.455 512 D N -0.150 120.282 120.400 0.053 0.000 2.144 512 D HA -0.054 4.614 4.640 0.047 0.000 0.200 512 D C 2.294 178.627 176.300 0.056 0.000 0.978 512 D CA 0.295 54.324 54.000 0.048 0.000 0.833 512 D CB -0.136 40.698 40.800 0.057 0.000 0.961 512 D HN 0.242 nan 8.370 nan 0.000 0.470 513 L N 0.436 121.708 121.223 0.083 0.000 2.109 513 L HA -0.060 4.308 4.340 0.047 0.000 0.207 513 L C 2.411 179.373 176.870 0.153 0.000 1.086 513 L CA 0.889 55.805 54.840 0.127 0.000 0.760 513 L CB -0.387 41.756 42.059 0.140 0.000 0.910 513 L HN -0.036 nan 8.230 nan 0.000 0.437 514 A N 0.152 123.037 122.820 0.109 0.000 2.070 514 A HA -0.166 4.182 4.320 0.047 0.000 0.220 514 A C 2.314 179.935 177.584 0.062 0.000 1.159 514 A CA 1.166 53.264 52.037 0.102 0.000 0.656 514 A CB -0.409 18.631 19.000 0.067 0.000 0.800 514 A HN 0.350 nan 8.150 nan 0.000 0.453 515 R N -0.906 119.609 120.500 0.026 0.000 2.153 515 R HA 0.012 4.380 4.340 0.047 0.000 0.218 515 R C 1.758 178.011 176.300 -0.078 0.000 1.072 515 R CA 1.099 57.190 56.100 -0.015 0.000 0.990 515 R CB -0.228 30.062 30.300 -0.015 0.000 0.889 515 R HN 0.395 nan 8.270 nan 0.000 0.452 516 V N -0.054 119.783 119.914 -0.128 0.000 2.453 516 V HA -0.099 4.049 4.120 0.047 0.000 0.247 516 V C 0.568 176.294 176.094 -0.615 0.000 1.048 516 V CA 1.317 63.384 62.300 -0.388 0.000 1.049 516 V CB -0.182 31.337 31.823 -0.507 0.000 0.672 516 V HN 0.125 nan 8.190 nan 0.000 0.457 517 F N 1.078 121.013 119.950 -0.026 0.000 2.449 517 F HA 0.388 4.943 4.527 0.047 0.000 0.329 517 F C -1.503 174.281 175.800 -0.027 0.000 1.245 517 F CA -1.805 56.174 58.000 -0.035 0.000 1.193 517 F CB 1.035 40.010 39.000 -0.043 0.000 1.425 517 F HN 0.052 nan 8.300 nan 0.000 0.544 518 P HA -0.054 nan 4.420 nan 0.000 0.229 518 P C 0.517 177.851 177.300 0.056 0.000 1.160 518 P CA 1.004 64.136 63.100 0.054 0.000 0.777 518 P CB 0.151 31.862 31.700 0.017 0.000 0.814 519 T N -3.671 110.922 114.554 0.065 0.000 3.466 519 T HA 0.325 4.703 4.350 0.047 0.000 0.297 519 T C -2.019 172.705 174.700 0.040 0.000 1.640 519 T CA -1.996 60.132 62.100 0.046 0.000 1.631 519 T CB 1.037 69.926 68.868 0.034 0.000 0.928 519 T HN -0.044 nan 8.240 nan 0.000 0.688 520 P HA -0.140 nan 4.420 nan 0.000 0.220 520 P C 1.472 178.711 177.300 -0.102 0.000 1.148 520 P CA 1.053 64.138 63.100 -0.024 0.000 0.803 520 P CB 0.268 31.936 31.700 -0.053 0.000 0.782 521 E N 1.319 121.484 120.200 -0.058 0.000 2.401 521 E HA -0.161 4.217 4.350 0.047 0.000 0.199 521 E C 0.978 177.507 176.600 -0.119 0.000 1.023 521 E CA 0.958 57.325 56.400 -0.055 0.000 0.859 521 E CB -0.700 29.010 29.700 0.017 0.000 0.780 521 E HN 0.374 nan 8.360 nan 0.000 0.523 522 K N 0.820 121.143 120.400 -0.128 0.000 2.397 522 K HA 0.243 4.591 4.320 0.047 0.000 0.202 522 K C -0.337 176.081 176.600 -0.302 0.000 1.022 522 K CA -0.097 56.118 56.287 -0.119 0.000 1.141 522 K CB 1.300 33.811 32.500 0.018 0.000 0.857 522 K HN -0.100 nan 8.250 nan 0.000 0.514 523 V N 2.735 122.369 119.914 -0.466 0.000 2.357 523 V HA 0.163 4.311 4.120 0.047 0.000 0.284 523 V C -0.503 175.284 176.094 -0.511 0.000 1.018 523 V CA -0.826 61.275 62.300 -0.332 0.000 0.841 523 V CB 0.964 32.719 31.823 -0.114 0.000 0.991 523 V HN 0.273 nan 8.190 nan 0.000 0.437 524 H N 5.840 124.905 119.070 -0.008 0.000 2.725 524 H HA 0.477 5.061 4.556 0.046 0.000 0.283 524 H C -0.562 174.703 175.328 -0.105 0.000 1.110 524 H CA -0.321 55.711 56.048 -0.027 0.000 1.289 524 H CB 1.418 31.189 29.762 0.015 0.000 1.400 524 H HN 0.490 nan 8.280 nan 0.000 0.493 525 I N 2.679 123.217 120.570 -0.054 0.000 2.307 525 I HA 0.020 4.218 4.170 0.047 0.000 0.289 525 I C 0.602 176.625 176.117 -0.155 0.000 1.021 525 I CA -0.530 60.694 61.300 -0.128 0.000 1.224 525 I CB 1.056 38.980 38.000 -0.126 0.000 1.376 525 I HN 0.447 nan 8.210 nan 0.000 0.470 526 D N 4.435 124.647 120.400 -0.313 0.000 2.382 526 D HA -0.027 4.641 4.640 0.047 0.000 0.240 526 D C 1.405 177.624 176.300 -0.135 0.000 1.146 526 D CA -0.145 53.677 54.000 -0.296 0.000 0.897 526 D CB 0.993 41.434 40.800 -0.599 0.000 1.197 526 D HN 0.624 nan 8.370 nan 0.000 0.432 527 Q N 1.794 121.541 119.800 -0.089 0.000 2.368 527 Q HA -0.228 4.140 4.340 0.047 0.000 0.210 527 Q C 0.539 176.374 176.000 -0.275 0.000 0.982 527 Q CA 1.400 57.114 55.803 -0.149 0.000 0.884 527 Q CB -0.145 28.513 28.738 -0.133 0.000 0.933 527 Q HN 0.615 nan 8.270 nan 0.000 0.460 528 H N -0.068 118.965 119.070 -0.062 0.000 2.549 528 H HA 0.344 4.923 4.556 0.039 0.000 0.279 528 H C 0.043 175.253 175.328 -0.196 0.000 1.018 528 H CA -0.040 55.895 56.048 -0.188 0.000 1.175 528 H CB 0.681 30.324 29.762 -0.198 0.000 1.485 528 H HN 0.143 nan 8.280 nan 0.000 0.543 529 S N 0.701 116.394 115.700 -0.012 0.000 2.652 529 S HA 0.323 4.821 4.470 0.047 0.000 0.270 529 S C 0.529 175.111 174.600 -0.030 0.000 1.243 529 S CA -0.303 57.866 58.200 -0.052 0.000 0.999 529 S CB 1.735 64.871 63.200 -0.107 0.000 0.973 529 S HN 0.133 nan 8.310 nan 0.000 0.544 530 T N 2.296 116.734 114.554 -0.194 0.000 2.840 530 T HA 0.493 4.871 4.350 0.047 0.000 0.287 530 T C -1.308 173.196 174.700 -0.328 0.000 0.991 530 T CA -0.403 61.475 62.100 -0.371 0.000 0.964 530 T CB 0.934 69.243 68.868 -0.932 0.000 0.954 530 T HN 0.326 nan 8.240 nan 0.000 0.438 531 L N 5.669 126.753 121.223 -0.231 0.000 2.342 531 L HA 0.611 4.979 4.340 0.047 0.000 0.276 531 L C -1.376 175.434 176.870 -0.099 0.000 0.997 531 L CA -0.686 54.072 54.840 -0.138 0.000 0.838 531 L CB 0.665 42.687 42.059 -0.062 0.000 1.224 531 L HN 0.501 nan 8.230 nan 0.000 0.416 532 I N 6.313 126.831 120.570 -0.087 0.000 2.354 532 I HA 0.469 4.667 4.170 0.047 0.000 0.292 532 I C -0.451 175.665 176.117 -0.001 0.000 0.989 532 I CA -0.641 60.647 61.300 -0.019 0.000 1.188 532 I CB 1.666 39.669 38.000 0.006 0.000 1.342 532 I HN 0.250 nan 8.210 nan 0.000 0.457 533 V N 6.445 126.370 119.914 0.018 0.000 2.483 533 V HA 0.435 4.583 4.120 0.047 0.000 0.297 533 V C -0.291 175.812 176.094 0.015 0.000 1.027 533 V CA -0.660 61.640 62.300 0.000 0.000 0.855 533 V CB 2.072 33.880 31.823 -0.025 0.000 0.995 533 V HN 0.697 nan 8.190 nan 0.000 0.424 534 E N 2.764 122.972 120.200 0.012 0.000 2.234 534 E HA 0.741 5.119 4.350 0.047 0.000 0.266 534 E C 0.256 176.865 176.600 0.015 0.000 0.877 534 E CA -0.080 56.333 56.400 0.022 0.000 0.758 534 E CB 2.276 31.996 29.700 0.033 0.000 1.170 534 E HN 1.137 nan 8.360 nan 0.000 0.415 535 G N 2.000 110.807 108.800 0.011 0.000 2.660 535 G HA2 -0.204 3.784 3.960 0.047 0.000 0.247 535 G HA3 -0.204 3.784 3.960 0.047 0.000 0.247 535 G C -0.835 174.062 174.900 -0.004 0.000 1.328 535 G CA -1.076 44.030 45.100 0.010 0.000 0.884 535 G HN 0.385 nan 8.290 nan 0.000 0.531 536 R N -0.034 120.467 120.500 0.002 0.000 2.387 536 R HA 0.385 4.753 4.340 0.047 0.000 0.321 536 R C -0.152 176.139 176.300 -0.014 0.000 1.174 536 R CA 0.076 56.170 56.100 -0.009 0.000 1.002 536 R CB 0.084 30.386 30.300 0.002 0.000 1.028 536 R HN 0.513 nan 8.270 nan 0.000 0.482 537 V N 5.486 125.361 119.914 -0.066 0.000 2.709 537 V HA 0.512 4.660 4.120 0.047 0.000 0.308 537 V C 0.077 176.064 176.094 -0.179 0.000 1.062 537 V CA -0.803 61.421 62.300 -0.127 0.000 0.901 537 V CB 2.657 34.377 31.823 -0.172 0.000 1.003 537 V HN 0.498 nan 8.190 nan 0.000 0.425 538 I N 4.859 125.319 120.570 -0.184 0.000 2.465 538 I HA 0.516 4.714 4.170 0.047 0.000 0.291 538 I C -0.767 175.210 176.117 -0.233 0.000 1.014 538 I CA -0.378 60.797 61.300 -0.209 0.000 1.093 538 I CB 2.057 39.986 38.000 -0.119 0.000 1.267 538 I HN 0.429 nan 8.210 nan 0.000 0.431 539 I N 6.235 126.613 120.570 -0.320 0.000 2.371 539 I HA 0.248 4.446 4.170 0.047 0.000 0.282 539 I C 0.924 177.005 176.117 -0.061 0.000 1.031 539 I CA -0.173 61.006 61.300 -0.202 0.000 1.180 539 I CB 1.066 38.937 38.000 -0.215 0.000 1.336 539 I HN 0.694 nan 8.210 nan 0.000 0.467 540 E N 3.387 123.573 120.200 -0.025 0.000 2.086 540 E HA -0.002 4.376 4.350 0.047 0.000 0.190 540 E C 0.232 176.857 176.600 0.041 0.000 0.975 540 E CA 0.665 57.075 56.400 0.017 0.000 0.813 540 E CB 0.335 30.040 29.700 0.009 0.000 0.768 540 E HN 0.668 nan 8.360 nan 0.000 0.457 541 S N 0.202 115.924 115.700 0.037 0.000 2.562 541 S HA 0.582 5.080 4.470 0.047 0.000 0.274 541 S C -1.184 173.448 174.600 0.053 0.000 1.160 541 S CA -1.049 57.178 58.200 0.045 0.000 0.933 541 S CB 1.972 65.203 63.200 0.052 0.000 1.100 541 S HN 0.088 nan 8.310 nan 0.000 0.468 542 L N 0.959 122.220 121.223 0.063 0.000 2.549 542 L HA 0.673 5.041 4.340 0.047 0.000 0.259 542 L C -1.424 175.514 176.870 0.114 0.000 0.934 542 L CA -0.169 54.714 54.840 0.072 0.000 0.865 542 L CB 2.073 44.167 42.059 0.057 0.000 1.352 542 L HN 0.989 nan 8.230 nan 0.000 0.410 543 E N 3.888 124.166 120.200 0.130 0.000 2.191 543 E HA 0.557 4.935 4.350 0.047 0.000 0.263 543 E C -1.965 174.710 176.600 0.126 0.000 0.881 543 E CA -0.774 55.727 56.400 0.168 0.000 0.757 543 E CB 1.687 31.513 29.700 0.210 0.000 1.147 543 E HN 0.600 nan 8.360 nan 0.000 0.414 544 L N 5.729 126.974 121.223 0.037 0.000 2.372 544 L HA 0.404 4.772 4.340 0.047 0.000 0.274 544 L C -2.078 174.710 176.870 -0.136 0.000 0.988 544 L CA -0.496 54.340 54.840 -0.007 0.000 0.833 544 L CB 1.020 43.053 42.059 -0.042 0.000 1.236 544 L HN 0.534 nan 8.230 nan 0.000 0.410 545 Y N 5.299 125.606 120.300 0.013 0.000 2.787 545 Y HA 0.725 5.302 4.550 0.045 0.000 0.352 545 Y C 0.699 176.591 175.900 -0.013 0.000 1.027 545 Y CA 0.257 58.363 58.100 0.010 0.000 1.219 545 Y CB 1.281 39.747 38.460 0.011 0.000 1.110 545 Y HN 0.857 nan 8.280 nan 0.000 0.614 546 G N 0.733 109.564 108.800 0.052 0.000 2.291 546 G HA2 0.423 4.411 3.960 0.047 0.000 0.249 546 G HA3 0.423 4.411 3.960 0.047 0.000 0.249 546 G C -1.758 173.085 174.900 -0.095 0.000 1.340 546 G CA -0.343 44.758 45.100 0.001 0.000 1.017 546 G HN 0.634 nan 8.290 nan 0.000 0.470 547 A N -0.881 121.862 122.820 -0.129 0.000 2.365 547 A HA 0.938 5.286 4.320 0.047 0.000 0.318 547 A C -1.208 176.280 177.584 -0.161 0.000 1.091 547 A CA -0.416 51.452 52.037 -0.282 0.000 0.763 547 A CB 1.857 20.504 19.000 -0.589 0.000 1.248 547 A HN 2.196 nan 8.150 nan 0.000 0.442 548 L N 1.282 122.399 121.223 -0.177 0.000 2.493 548 L HA 0.705 5.073 4.340 0.047 0.000 0.265 548 L C -0.791 176.032 176.870 -0.078 0.000 0.954 548 L CA 0.257 55.047 54.840 -0.083 0.000 0.844 548 L CB 2.381 44.407 42.059 -0.055 0.000 1.302 548 L HN 0.604 nan 8.230 nan 0.000 0.405 549 T N 6.180 120.720 114.554 -0.023 0.000 2.779 549 T HA 0.667 5.045 4.350 0.047 0.000 0.280 549 T C -0.245 174.460 174.700 0.008 0.000 0.987 549 T CA -0.072 62.027 62.100 -0.001 0.000 0.966 549 T CB 0.733 69.623 68.868 0.037 0.000 0.933 549 T HN 0.437 nan 8.240 nan 0.000 0.442 550 I N 3.577 124.142 120.570 -0.008 0.000 2.362 550 I HA 0.464 4.662 4.170 0.047 0.000 0.289 550 I C 0.349 176.472 176.117 0.009 0.000 0.994 550 I CA -0.816 60.473 61.300 -0.018 0.000 1.158 550 I CB 1.350 39.283 38.000 -0.113 0.000 1.315 550 I HN 0.297 nan 8.210 nan 0.000 0.451 551 R N 4.174 124.721 120.500 0.077 0.000 2.514 551 R HA 0.730 5.098 4.340 0.047 0.000 0.301 551 R C -0.059 176.341 176.300 0.167 0.000 0.962 551 R CA -0.649 55.504 56.100 0.089 0.000 0.882 551 R CB 2.328 32.673 30.300 0.076 0.000 1.143 551 R HN 0.821 nan 8.270 nan 0.000 0.452 552 G N 2.156 111.020 108.800 0.106 0.000 3.140 552 G HA2 0.514 4.502 3.960 0.047 0.000 0.271 552 G HA3 0.514 4.502 3.960 0.047 0.000 0.271 552 G C -2.730 172.204 174.900 0.057 0.000 1.370 552 G CA -1.547 43.625 45.100 0.120 0.000 1.014 552 G HN 0.240 nan 8.290 nan 0.000 0.541 553 P HA 0.085 nan 4.420 nan 0.000 0.261 553 P C 1.164 178.472 177.300 0.013 0.000 1.183 553 P CA 0.284 63.396 63.100 0.019 0.000 0.761 553 P CB 0.739 32.447 31.700 0.013 0.000 0.785 554 T N -1.101 113.458 114.554 0.009 0.000 3.007 554 T HA -0.119 4.259 4.350 0.047 0.000 0.270 554 T C 0.637 175.336 174.700 -0.001 0.000 1.107 554 T CA 0.482 62.584 62.100 0.005 0.000 1.118 554 T CB -0.543 68.327 68.868 0.003 0.000 0.889 554 T HN 0.302 nan 8.240 nan 0.000 0.506 555 D N 2.232 122.632 120.400 -0.001 0.000 2.339 555 D HA 0.184 4.852 4.640 0.047 0.000 0.256 555 D C 1.469 177.766 176.300 -0.006 0.000 1.214 555 D CA 0.230 54.228 54.000 -0.004 0.000 0.877 555 D CB 1.227 42.025 40.800 -0.004 0.000 1.111 555 D HN 0.262 nan 8.370 nan 0.000 0.478 556 S N 3.506 119.200 115.700 -0.009 0.000 2.419 556 S HA -0.238 4.260 4.470 0.047 0.000 0.235 556 S C 1.589 176.182 174.600 -0.011 0.000 1.019 556 S CA 0.963 59.155 58.200 -0.012 0.000 0.982 556 S CB -0.321 62.868 63.200 -0.018 0.000 0.789 556 S HN 0.656 nan 8.310 nan 0.000 0.490 557 M N 1.128 120.722 119.600 -0.009 0.000 2.428 557 M HA 0.429 4.937 4.480 0.047 0.000 0.239 557 M C 0.912 177.209 176.300 -0.006 0.000 1.121 557 M CA 0.043 55.338 55.300 -0.008 0.000 1.019 557 M CB 0.071 32.666 32.600 -0.008 0.000 1.485 557 M HN 0.383 nan 8.290 nan 0.000 0.484 558 A N 1.233 124.051 122.820 -0.004 0.000 2.280 558 A HA 0.573 4.921 4.320 0.047 0.000 0.268 558 A C -0.017 177.567 177.584 0.000 0.000 1.111 558 A CA -0.552 51.484 52.037 -0.002 0.000 0.814 558 A CB 0.258 19.257 19.000 -0.001 0.000 1.093 558 A HN 0.368 nan 8.150 nan 0.000 0.498 559 L N 1.985 123.209 121.223 0.001 0.000 2.410 559 L HA 0.236 4.604 4.340 0.047 0.000 0.273 559 L C -1.679 175.200 176.870 0.014 0.000 1.144 559 L CA -1.349 53.494 54.840 0.004 0.000 0.863 559 L CB 0.279 42.339 42.059 0.002 0.000 1.140 559 L HN 0.532 nan 8.230 nan 0.000 0.463 560 P HA -0.007 nan 4.420 nan 0.000 0.275 560 P C -0.832 176.518 177.300 0.083 0.000 1.228 560 P CA -0.188 62.931 63.100 0.032 0.000 0.786 560 P CB 0.469 32.172 31.700 0.003 0.000 0.927 561 H N 1.604 120.657 119.070 -0.029 0.000 2.878 561 H HA 0.288 4.872 4.556 0.047 0.000 0.290 561 H C -0.837 174.470 175.328 -0.035 0.000 1.065 561 H CA -0.648 55.384 56.048 -0.026 0.000 1.477 561 H CB 0.407 30.155 29.762 -0.023 0.000 1.484 561 H HN 0.048 nan 8.280 nan 0.000 0.504 562 V N 6.958 127.009 119.914 0.228 0.000 2.398 562 V HA 0.144 4.292 4.120 0.047 0.000 0.286 562 V C -0.230 175.883 176.094 0.032 0.000 1.026 562 V CA -0.774 61.552 62.300 0.042 0.000 0.868 562 V CB 1.486 33.333 31.823 0.041 0.000 0.982 562 V HN 0.523 nan 8.190 nan 0.000 0.443 563 V N 6.948 126.810 119.914 -0.087 0.000 2.370 563 V HA 0.618 4.766 4.120 0.047 0.000 0.283 563 V C 0.072 176.157 176.094 -0.015 0.000 1.023 563 V CA -0.629 61.632 62.300 -0.065 0.000 0.857 563 V CB 1.321 33.055 31.823 -0.148 0.000 0.985 563 V HN 1.009 nan 8.190 nan 0.000 0.443 564 R N 2.556 123.068 120.500 0.019 0.000 2.725 564 R HA 0.580 4.948 4.340 0.047 0.000 0.277 564 R C -0.088 176.234 176.300 0.038 0.000 0.987 564 R CA -0.966 55.150 56.100 0.027 0.000 0.901 564 R CB 0.927 31.244 30.300 0.028 0.000 1.207 564 R HN 0.623 nan 8.270 nan 0.000 0.463 565 N N -0.606 118.121 118.700 0.045 0.000 2.708 565 N HA -0.263 4.505 4.740 0.047 0.000 0.249 565 N C -0.649 174.893 175.510 0.052 0.000 1.097 565 N CA 0.846 53.927 53.050 0.051 0.000 0.710 565 N CB -0.823 37.690 38.487 0.044 0.000 1.032 565 N HN 0.814 nan 8.380 nan 0.000 0.551 566 A N 0.058 122.909 122.820 0.052 0.000 2.401 566 A HA 0.568 4.916 4.320 0.047 0.000 0.259 566 A C 0.328 177.951 177.584 0.066 0.000 1.103 566 A CA -0.069 51.999 52.037 0.052 0.000 0.789 566 A CB 0.845 19.869 19.000 0.039 0.000 1.035 566 A HN 0.123 nan 8.150 nan 0.000 0.491 567 V N 3.514 123.466 119.914 0.064 0.000 2.482 567 V HA 0.430 4.578 4.120 0.047 0.000 0.295 567 V C -0.731 175.406 176.094 0.072 0.000 1.026 567 V CA -0.392 61.956 62.300 0.079 0.000 0.856 567 V CB 1.565 33.430 31.823 0.070 0.000 1.001 567 V HN 0.660 nan 8.190 nan 0.000 0.424 568 V N 5.817 125.784 119.914 0.088 0.000 2.482 568 V HA 0.608 4.756 4.120 0.047 0.000 0.295 568 V C -0.362 175.793 176.094 0.102 0.000 1.026 568 V CA -0.745 61.599 62.300 0.072 0.000 0.856 568 V CB 2.066 33.918 31.823 0.048 0.000 1.001 568 V HN 0.859 nan 8.190 nan 0.000 0.424 569 R N 3.977 124.525 120.500 0.080 0.000 2.476 569 R HA 0.734 5.102 4.340 0.047 0.000 0.305 569 R C -0.596 175.734 176.300 0.051 0.000 0.965 569 R CA -0.478 55.672 56.100 0.083 0.000 0.867 569 R CB 1.845 32.168 30.300 0.039 0.000 1.176 569 R HN 0.989 nan 8.270 nan 0.000 0.447 570 N N 0.130 118.862 118.700 0.053 0.000 3.106 570 N HA 0.294 5.062 4.740 0.047 0.000 0.253 570 N C -0.182 175.350 175.510 0.037 0.000 1.506 570 N CA -0.659 52.414 53.050 0.039 0.000 0.876 570 N CB 0.511 39.023 38.487 0.043 0.000 1.452 570 N HN 0.280 nan 8.380 nan 0.000 0.542 571 A N -0.466 122.377 122.820 0.039 0.000 2.131 571 A HA 0.329 4.677 4.320 0.047 0.000 0.220 571 A C 1.482 179.099 177.584 0.055 0.000 1.158 571 A CA 1.718 53.776 52.037 0.036 0.000 0.665 571 A CB -1.839 17.186 19.000 0.041 0.000 0.795 571 A HN 1.600 nan 8.150 nan 0.000 0.460 572 G N -1.997 106.850 108.800 0.079 0.000 2.574 572 G HA2 -0.246 3.742 3.960 0.047 0.000 0.282 572 G HA3 -0.246 3.742 3.960 0.047 0.000 0.282 572 G C -0.256 174.846 174.900 0.336 0.000 1.257 572 G CA 0.438 45.592 45.100 0.090 0.000 0.956 572 G HN 0.665 nan 8.290 nan 0.000 0.560 573 W N 0.590 121.893 121.300 0.006 0.000 2.719 573 W HA 0.773 5.457 4.660 0.041 0.000 0.352 573 W C 0.690 177.174 176.519 -0.058 0.000 1.085 573 W CA -0.295 57.093 57.345 0.072 0.000 1.187 573 W CB 1.489 31.113 29.460 0.273 0.000 1.417 573 W HN 1.187 nan 8.180 nan 0.000 0.557 574 S N -0.065 115.802 115.700 0.278 0.000 2.740 574 S HA 0.850 5.348 4.470 0.047 0.000 0.300 574 S C -1.351 173.464 174.600 0.358 0.000 1.147 574 S CA -0.920 57.383 58.200 0.171 0.000 0.871 574 S CB 1.942 65.193 63.200 0.084 0.000 1.173 574 S HN 0.527 nan 8.310 nan 0.000 0.510 575 V N 2.047 122.158 119.914 0.330 0.000 2.841 575 V HA 0.770 4.918 4.120 0.047 0.000 0.310 575 V C -1.711 174.525 176.094 0.237 0.000 1.090 575 V CA -0.381 62.075 62.300 0.260 0.000 0.930 575 V CB 1.748 33.668 31.823 0.162 0.000 1.014 575 V HN 1.316 nan 8.190 nan 0.000 0.425 576 H N 4.018 123.161 119.070 0.121 0.000 3.008 576 H HA 0.820 5.387 4.556 0.019 0.000 0.354 576 H C -0.582 174.829 175.328 0.138 0.000 1.252 576 H CA -0.393 55.714 56.048 0.098 0.000 1.117 576 H CB 1.732 31.535 29.762 0.068 0.000 1.857 576 H HN 0.922 nan 8.280 nan 0.000 0.547 577 A N 1.916 124.803 122.820 0.111 0.000 2.340 577 A HA 0.429 4.777 4.320 0.047 0.000 0.268 577 A C 0.394 178.002 177.584 0.041 0.000 1.100 577 A CA -0.741 51.339 52.037 0.072 0.000 0.803 577 A CB -0.104 18.943 19.000 0.079 0.000 1.043 577 A HN 0.586 nan 8.150 nan 0.000 0.488 578 I N 2.430 123.001 120.570 0.000 0.000 2.452 578 I HA 0.052 4.250 4.170 0.047 0.000 0.287 578 I C -0.036 176.098 176.117 0.029 0.000 1.079 578 I CA 0.206 61.507 61.300 0.003 0.000 1.387 578 I CB 0.301 38.280 38.000 -0.035 0.000 1.404 578 I HN 0.484 nan 8.210 nan 0.000 0.522 579 L N 5.751 127.006 121.223 0.054 0.000 2.439 579 L HA 0.118 4.486 4.340 0.047 0.000 0.269 579 L C 1.694 178.579 176.870 0.024 0.000 1.179 579 L CA -0.036 54.830 54.840 0.044 0.000 0.828 579 L CB 1.016 43.107 42.059 0.054 0.000 1.106 579 L HN 0.691 nan 8.230 nan 0.000 0.467 580 S N 2.385 118.096 115.700 0.018 0.000 2.389 580 S HA -0.179 4.319 4.470 0.047 0.000 0.231 580 S C 0.810 175.418 174.600 0.013 0.000 1.052 580 S CA 1.296 59.503 58.200 0.012 0.000 1.053 580 S CB -0.583 62.623 63.200 0.012 0.000 0.886 580 S HN 0.475 nan 8.310 nan 0.000 0.456 581 L N 1.466 122.699 121.223 0.016 0.000 2.404 581 L HA 0.329 4.697 4.340 0.047 0.000 0.277 581 L C -0.765 176.115 176.870 0.016 0.000 1.184 581 L CA -0.583 54.266 54.840 0.015 0.000 1.013 581 L CB -0.750 41.319 42.059 0.016 0.000 1.318 581 L HN 0.098 nan 8.230 nan 0.000 0.435 582 C N 3.040 122.347 119.300 0.012 0.000 2.273 582 C HA 0.754 5.242 4.460 0.047 0.000 0.328 582 C C 1.163 176.158 174.990 0.009 0.000 1.275 582 C CA -0.666 58.358 59.018 0.011 0.000 1.704 582 C CB 0.530 28.274 27.740 0.006 0.000 2.326 582 C HN 0.890 nan 8.230 nan 0.000 0.517 583 A N 2.524 125.350 122.820 0.009 0.000 2.322 583 A HA 0.663 5.011 4.320 0.047 0.000 0.269 583 A C 0.862 178.449 177.584 0.005 0.000 1.094 583 A CA 0.005 52.046 52.037 0.007 0.000 0.807 583 A CB 0.274 19.279 19.000 0.008 0.000 1.047 583 A HN 1.211 nan 8.150 nan 0.000 0.487 584 G N 0.136 108.938 108.800 0.004 0.000 4.543 584 G HA2 0.373 4.361 3.960 0.047 0.000 0.286 584 G HA3 0.373 4.361 3.960 0.047 0.000 0.286 584 G C 0.502 175.403 174.900 0.001 0.000 1.112 584 G CA -0.108 44.993 45.100 0.002 0.000 0.870 584 G HN 0.722 nan 8.290 nan 0.000 0.540 585 R N -0.551 119.950 120.500 0.002 0.000 2.470 585 R HA 0.163 4.531 4.340 0.047 0.000 0.210 585 R C -0.006 176.295 176.300 0.001 0.000 0.873 585 R CA 0.349 56.450 56.100 0.001 0.000 1.015 585 R CB 0.795 31.096 30.300 0.002 0.000 1.348 585 R HN 0.110 nan 8.270 nan 0.000 0.650 586 D N 0.105 120.507 120.400 0.002 0.000 2.582 586 D HA 0.056 4.724 4.640 0.047 0.000 0.246 586 D C -0.618 175.684 176.300 0.003 0.000 1.334 586 D CA 0.055 54.056 54.000 0.002 0.000 0.805 586 D CB 1.244 42.046 40.800 0.003 0.000 1.087 586 D HN 0.074 nan 8.370 nan 0.000 0.499 587 S N -0.098 115.604 115.700 0.003 0.000 2.537 587 S HA 0.349 4.847 4.470 0.047 0.000 0.275 587 S C 0.732 175.333 174.600 0.001 0.000 1.272 587 S CA -0.622 57.581 58.200 0.005 0.000 1.050 587 S CB 2.267 65.470 63.200 0.006 0.000 0.961 587 S HN -0.038 nan 8.310 nan 0.000 0.496 588 R N 1.087 121.587 120.500 0.001 0.000 2.449 588 R HA 0.281 4.649 4.340 0.047 0.000 0.262 588 R C -0.651 175.643 176.300 -0.009 0.000 1.006 588 R CA -0.265 55.833 56.100 -0.004 0.000 1.104 588 R CB -0.272 30.025 30.300 -0.005 0.000 1.206 588 R HN 0.534 nan 8.270 nan 0.000 0.538 589 L N 1.147 122.365 121.223 -0.008 0.000 2.319 589 L HA 0.116 4.484 4.340 0.047 0.000 0.280 589 L C 0.335 177.196 176.870 -0.014 0.000 1.099 589 L CA 0.502 55.332 54.840 -0.017 0.000 0.828 589 L CB 1.357 43.407 42.059 -0.015 0.000 1.150 589 L HN 0.095 nan 8.230 nan 0.000 0.442 590 S N 1.475 117.165 115.700 -0.017 0.000 2.739 590 S HA 0.449 4.947 4.470 0.047 0.000 0.306 590 S C 0.845 175.449 174.600 0.006 0.000 1.115 590 S CA -0.812 57.387 58.200 -0.001 0.000 0.985 590 S CB 0.994 64.198 63.200 0.007 0.000 1.133 590 S HN 0.601 nan 8.310 nan 0.000 0.541 591 E N 0.035 120.260 120.200 0.042 0.000 2.118 591 E HA -0.120 4.258 4.350 0.047 0.000 0.195 591 E C 1.887 178.532 176.600 0.074 0.000 0.992 591 E CA 1.156 57.606 56.400 0.083 0.000 0.804 591 E CB -0.430 29.366 29.700 0.159 0.000 0.741 591 E HN 0.432 nan 8.360 nan 0.000 0.458 592 V N 2.066 122.027 119.914 0.078 0.000 2.324 592 V HA -0.306 3.842 4.120 0.047 0.000 0.250 592 V C 1.724 177.734 176.094 -0.140 0.000 1.060 592 V CA 2.099 64.368 62.300 -0.051 0.000 1.042 592 V CB -0.393 31.402 31.823 -0.046 0.000 0.650 592 V HN 0.283 nan 8.190 nan 0.000 0.450 593 D N -0.480 119.848 120.400 -0.121 0.000 2.084 593 D HA -0.125 4.543 4.640 0.047 0.000 0.196 593 D C 2.375 178.557 176.300 -0.197 0.000 0.985 593 D CA 1.162 55.053 54.000 -0.183 0.000 0.826 593 D CB -0.294 40.432 40.800 -0.123 0.000 0.978 593 D HN 0.403 nan 8.370 nan 0.000 0.456 594 R N 0.749 121.181 120.500 -0.113 0.000 2.105 594 R HA -0.077 4.291 4.340 0.047 0.000 0.239 594 R C 2.580 178.820 176.300 -0.101 0.000 1.135 594 R CA 0.949 56.996 56.100 -0.090 0.000 0.967 594 R CB -0.493 29.783 30.300 -0.039 0.000 0.861 594 R HN 0.372 nan 8.270 nan 0.000 0.442 595 I N -0.339 120.171 120.570 -0.100 0.000 3.001 595 I HA -0.099 4.099 4.170 0.047 0.000 0.268 595 I C 2.096 178.122 176.117 -0.151 0.000 1.267 595 I CA 1.026 62.270 61.300 -0.092 0.000 1.472 595 I CB -0.190 37.765 38.000 -0.076 0.000 1.089 595 I HN 0.060 nan 8.210 nan 0.000 0.468 596 R N 1.644 121.977 120.500 -0.278 0.000 2.254 596 R HA 0.323 4.691 4.340 0.047 0.000 0.193 596 R C 1.558 177.612 176.300 -0.410 0.000 0.929 596 R CA 0.813 56.666 56.100 -0.412 0.000 1.038 596 R CB -0.024 29.829 30.300 -0.745 0.000 1.009 596 R HN 0.342 nan 8.270 nan 0.000 0.512 597 G N 1.221 109.824 108.800 -0.327 0.000 2.143 597 G HA2 -0.284 3.704 3.960 0.047 0.000 0.249 597 G HA3 -0.284 3.704 3.960 0.047 0.000 0.249 597 G C -0.074 174.782 174.900 -0.072 0.000 0.981 597 G CA 0.671 45.674 45.100 -0.161 0.000 0.665 597 G HN 0.550 nan 8.290 nan 0.000 0.528 598 F N -1.908 117.984 119.950 -0.097 0.000 2.711 598 F HA 0.816 5.367 4.527 0.040 0.000 0.313 598 F C -0.433 175.269 175.800 -0.163 0.000 1.141 598 F CA -1.273 56.643 58.000 -0.140 0.000 0.941 598 F CB 1.487 40.435 39.000 -0.088 0.000 1.349 598 F HN 0.637 nan 8.300 nan 0.000 0.464 599 V N 0.069 120.035 119.914 0.086 0.000 2.760 599 V HA 0.606 4.754 4.120 0.047 0.000 0.309 599 V C -0.895 175.251 176.094 0.086 0.000 1.077 599 V CA -1.087 61.222 62.300 0.014 0.000 0.910 599 V CB 1.442 33.183 31.823 -0.136 0.000 1.008 599 V HN 0.981 nan 8.190 nan 0.000 0.424 600 L N 2.858 124.144 121.223 0.106 0.000 2.367 600 L HA 0.500 4.868 4.340 0.047 0.000 0.275 600 L C 0.204 177.050 176.870 -0.040 0.000 1.129 600 L CA -0.189 54.683 54.840 0.054 0.000 0.839 600 L CB 0.971 43.000 42.059 -0.049 0.000 1.133 600 L HN 0.616 nan 8.230 nan 0.000 0.453 601 K N 3.202 123.619 120.400 0.029 0.000 2.281 601 K HA 0.210 4.558 4.320 0.047 0.000 0.272 601 K C -0.446 176.024 176.600 -0.215 0.000 1.048 601 K CA -0.127 56.146 56.287 -0.024 0.000 0.898 601 K CB 0.726 33.289 32.500 0.104 0.000 1.128 601 K HN 0.238 nan 8.250 nan 0.000 0.460 602 K N 2.884 123.036 120.400 -0.413 0.000 2.535 602 K HA 0.082 4.430 4.320 0.047 0.000 0.242 602 K C 0.333 176.847 176.600 -0.144 0.000 1.210 602 K CA -0.054 55.762 56.287 -0.786 0.000 1.178 602 K CB 0.320 32.302 32.500 -0.864 0.000 1.778 602 K HN 0.590 nan 8.250 nan 0.000 0.372 603 T N 0.346 114.934 114.554 0.058 0.000 2.708 603 T HA -0.123 4.255 4.350 0.047 0.000 0.266 603 T C 0.883 175.682 174.700 0.164 0.000 1.037 603 T CA 1.175 63.341 62.100 0.110 0.000 1.146 603 T CB 0.132 69.066 68.868 0.110 0.000 0.865 603 T HN 0.511 nan 8.240 nan 0.000 0.435 604 A N -0.013 122.975 122.820 0.279 0.000 2.532 604 A HA 0.866 5.214 4.320 0.047 0.000 0.290 604 A C -1.291 176.453 177.584 0.267 0.000 1.143 604 A CA -0.847 51.318 52.037 0.213 0.000 0.728 604 A CB 1.810 20.887 19.000 0.129 0.000 1.317 604 A HN 0.245 nan 8.150 nan 0.000 0.414 605 M N 0.364 120.065 119.600 0.168 0.000 2.362 605 M HA 0.590 5.098 4.480 0.047 0.000 0.242 605 M C -1.104 175.245 176.300 0.082 0.000 0.995 605 M CA -0.159 55.224 55.300 0.139 0.000 0.904 605 M CB 1.157 33.901 32.600 0.241 0.000 2.202 605 M HN 1.663 nan 8.290 nan 0.000 0.464 606 A N 3.882 126.727 122.820 0.043 0.000 2.331 606 A HA 0.809 5.157 4.320 0.047 0.000 0.283 606 A C -0.974 176.634 177.584 0.039 0.000 1.142 606 A CA -0.565 51.496 52.037 0.039 0.000 0.812 606 A CB 0.731 19.748 19.000 0.029 0.000 1.074 606 A HN 0.822 nan 8.150 nan 0.000 0.497 607 V N 3.627 123.570 119.914 0.047 0.000 2.417 607 V HA 0.397 4.545 4.120 0.047 0.000 0.291 607 V C -0.080 176.049 176.094 0.058 0.000 1.024 607 V CA -0.094 62.237 62.300 0.051 0.000 0.861 607 V CB 1.238 33.094 31.823 0.055 0.000 0.985 607 V HN 0.923 nan 8.190 nan 0.000 0.436 608 M N 4.812 124.456 119.600 0.073 0.000 2.072 608 M HA 0.462 4.970 4.480 0.047 0.000 0.331 608 M C -0.706 175.702 176.300 0.180 0.000 1.004 608 M CA -0.305 55.069 55.300 0.124 0.000 0.952 608 M CB 1.101 33.785 32.600 0.140 0.000 1.511 608 M HN 0.620 nan 8.290 nan 0.000 0.422 609 D N 1.341 121.813 120.400 0.119 0.000 2.549 609 D HA 0.801 5.469 4.640 0.047 0.000 0.270 609 D C 0.470 176.724 176.300 -0.076 0.000 1.181 609 D CA 0.138 54.184 54.000 0.076 0.000 1.070 609 D CB 1.583 42.399 40.800 0.028 0.000 1.154 609 D HN 1.015 nan 8.370 nan 0.000 0.602 610 C N 0.000 119.240 119.300 -0.100 0.000 2.653 610 C HA 0.000 4.488 4.460 0.047 0.000 0.325 610 C CA 0.000 58.894 59.018 -0.207 0.000 1.963 610 C CB 0.000 27.556 27.740 -0.306 0.000 2.134 610 C HN 0.000 nan 8.230 nan 0.000 0.568