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 2ww3_1_A DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKE 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.041 176.600 -0.931 0.000 0.988 20 K CA 0.000 55.894 56.287 -0.656 0.000 0.838 20 K CB 0.000 32.019 32.500 -0.801 0.000 1.064 21 D N 0.666 120.559 120.400 -0.845 0.000 2.217 21 D HA 0.617 5.257 4.640 -0.000 0.000 0.243 21 D C 0.230 176.045 176.300 -0.808 0.000 1.054 21 D CA -0.315 53.292 54.000 -0.655 0.000 0.838 21 D CB 0.696 41.262 40.800 -0.390 0.000 1.162 21 D HN 0.539 nan 8.370 nan 0.000 0.472 22 W N 2.127 123.303 121.300 -0.205 0.000 2.993 22 W HA 0.009 4.669 4.660 0.000 0.000 0.290 22 W C 1.892 178.278 176.519 -0.222 0.000 1.203 22 W CA 0.502 57.663 57.345 -0.307 0.000 1.582 22 W CB -0.319 28.853 29.460 -0.481 0.000 1.033 22 W HN 0.558 nan 8.180 nan 0.000 0.594 23 T N -0.484 114.101 114.554 0.052 0.000 2.881 23 T HA -0.298 4.052 4.350 -0.000 0.000 0.270 23 T C 1.686 176.355 174.700 -0.051 0.000 1.068 23 T CA 1.714 63.845 62.100 0.052 0.000 1.131 23 T CB -0.452 68.540 68.868 0.207 0.000 0.871 23 T HN 0.370 nan 8.240 nan 0.000 0.479 24 Q N -0.114 119.567 119.800 -0.198 0.000 2.297 24 Q HA -0.148 4.192 4.340 -0.000 0.000 0.208 24 Q C 1.301 177.161 176.000 -0.234 0.000 0.981 24 Q CA 1.311 56.943 55.803 -0.284 0.000 0.876 24 Q CB -0.707 27.730 28.738 -0.502 0.000 0.921 24 Q HN 0.642 nan 8.270 nan 0.000 0.446 25 Y N 0.390 120.708 120.300 0.030 0.000 2.482 25 Y HA 0.253 4.803 4.550 -0.000 0.000 0.270 25 Y C 0.558 176.523 175.900 0.108 0.000 1.152 25 Y CA -0.621 57.554 58.100 0.126 0.000 1.292 25 Y CB 0.724 39.349 38.460 0.274 0.000 1.070 25 Y HN -0.116 nan 8.280 nan 0.000 0.528 26 V N 2.143 122.125 119.914 0.114 0.000 2.488 26 V HA 0.089 4.209 4.120 -0.000 0.000 0.277 26 V C -0.134 175.870 176.094 -0.151 0.000 1.046 26 V CA -0.547 61.717 62.300 -0.059 0.000 0.986 26 V CB 0.864 32.491 31.823 -0.327 0.000 0.989 26 V HN 0.223 nan 8.190 nan 0.000 0.475 27 N N 7.052 125.686 118.700 -0.109 0.000 2.558 27 N HA 0.415 5.155 4.740 -0.000 0.000 0.242 27 N C -2.068 173.370 175.510 -0.120 0.000 0.979 27 N CA -2.207 50.788 53.050 -0.091 0.000 0.931 27 N CB 2.071 40.553 38.487 -0.008 0.000 1.122 27 N HN 0.210 nan 8.380 nan 0.000 0.508 28 P HA 0.063 nan 4.420 nan 0.000 0.242 28 P C 0.770 178.080 177.300 0.016 0.000 1.197 28 P CA 0.683 63.709 63.100 -0.123 0.000 0.765 28 P CB 0.310 31.881 31.700 -0.215 0.000 0.936 29 L N -2.226 119.022 121.223 0.042 0.000 2.567 29 L HA 0.198 4.538 4.340 -0.000 0.000 0.225 29 L C 1.333 178.272 176.870 0.115 0.000 1.119 29 L CA -0.114 54.799 54.840 0.122 0.000 0.871 29 L CB -0.397 41.784 42.059 0.204 0.000 1.036 29 L HN 0.084 nan 8.230 nan 0.000 0.459 30 M N 1.052 120.701 119.600 0.081 0.000 2.307 30 M HA 0.181 4.661 4.480 -0.000 0.000 0.346 30 M C 0.966 177.379 176.300 0.188 0.000 1.552 30 M CA 1.144 56.480 55.300 0.060 0.000 1.116 30 M CB 0.148 32.747 32.600 -0.002 0.000 1.889 30 M HN 0.282 nan 8.290 nan 0.000 0.460 31 G N 2.095 111.003 108.800 0.180 0.000 2.184 31 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.206 31 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.206 31 G C 0.612 175.647 174.900 0.226 0.000 0.995 31 G CA 0.474 45.743 45.100 0.283 0.000 0.651 31 G HN 0.855 nan 8.290 nan 0.000 0.511 32 S N -0.602 115.241 115.700 0.238 0.000 2.496 32 S HA 0.141 4.611 4.470 -0.000 0.000 0.224 32 S C 1.254 176.050 174.600 0.326 0.000 0.996 32 S CA 1.278 59.688 58.200 0.350 0.000 0.927 32 S CB 0.102 63.631 63.200 0.549 0.000 0.774 32 S HN 0.570 nan 8.310 nan 0.000 0.524 33 Q N 1.874 121.802 119.800 0.212 0.000 3.254 33 Q HA 0.366 4.706 4.340 -0.000 0.000 0.315 33 Q C -1.008 175.086 176.000 0.156 0.000 1.405 33 Q CA -0.252 55.654 55.803 0.171 0.000 0.966 33 Q CB -0.238 28.515 28.738 0.025 0.000 1.706 33 Q HN 0.351 nan 8.270 nan 0.000 0.525 34 S N 0.122 115.950 115.700 0.215 0.000 2.536 34 S HA 0.630 5.100 4.470 -0.000 0.000 0.298 34 S C -0.470 174.265 174.600 0.224 0.000 1.083 34 S CA -0.654 57.681 58.200 0.225 0.000 0.995 34 S CB 1.804 65.175 63.200 0.286 0.000 1.058 34 S HN 0.593 nan 8.310 nan 0.000 0.488 35 T N -0.800 113.836 114.554 0.136 0.000 2.926 35 T HA 0.527 4.877 4.350 -0.000 0.000 0.289 35 T C 0.726 175.404 174.700 -0.037 0.000 1.054 35 T CA -0.749 61.332 62.100 -0.032 0.000 1.015 35 T CB 0.556 69.405 68.868 -0.031 0.000 1.167 35 T HN 0.365 nan 8.240 nan 0.000 0.526 36 F N 1.504 121.191 119.950 -0.438 0.000 2.161 36 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 36 F C 1.985 177.790 175.800 0.008 0.000 1.089 36 F CA 1.793 59.626 58.000 -0.279 0.000 1.282 36 F CB -0.270 38.472 39.000 -0.430 0.000 1.010 36 F HN 0.678 nan 8.300 nan 0.000 0.485 37 E N -0.034 120.179 120.200 0.022 0.000 2.285 37 E HA 0.107 4.457 4.350 -0.000 0.000 0.194 37 E C -0.293 176.318 176.600 0.018 0.000 0.997 37 E CA 0.605 57.011 56.400 0.010 0.000 0.845 37 E CB 0.172 29.920 29.700 0.081 0.000 0.782 37 E HN 0.299 nan 8.360 nan 0.000 0.491 38 L N 0.016 121.260 121.223 0.034 0.000 2.611 38 L HA 0.320 4.660 4.340 -0.000 0.000 0.263 38 L C -0.928 175.998 176.870 0.093 0.000 0.969 38 L CA -0.362 54.521 54.840 0.072 0.000 0.894 38 L CB 1.857 43.944 42.059 0.047 0.000 1.229 38 L HN -0.163 nan 8.230 nan 0.000 0.416 39 S N 1.559 117.344 115.700 0.141 0.000 2.548 39 S HA 0.410 4.880 4.470 -0.000 0.000 0.277 39 S C 0.920 175.607 174.600 0.145 0.000 1.315 39 S CA 0.358 58.650 58.200 0.153 0.000 1.050 39 S CB 0.630 63.948 63.200 0.198 0.000 0.918 39 S HN 0.766 nan 8.310 nan 0.000 0.497 40 T N 1.147 115.791 114.554 0.148 0.000 3.228 40 T HA 0.558 4.908 4.350 -0.000 0.000 0.278 40 T C 1.013 175.858 174.700 0.242 0.000 1.014 40 T CA 0.209 62.400 62.100 0.153 0.000 0.904 40 T CB 0.125 69.058 68.868 0.109 0.000 1.110 40 T HN 1.117 nan 8.240 nan 0.000 0.541 41 G N 1.521 110.435 108.800 0.189 0.000 3.211 41 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.202 41 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.202 41 G C 0.173 175.092 174.900 0.032 0.000 1.035 41 G CA -0.227 44.934 45.100 0.102 0.000 0.846 41 G HN 0.371 nan 8.290 nan 0.000 0.464 42 N N 1.488 120.239 118.700 0.086 0.000 2.714 42 N HA -0.148 4.592 4.740 -0.000 0.000 0.252 42 N C 0.418 175.900 175.510 -0.047 0.000 1.014 42 N CA 1.953 54.997 53.050 -0.009 0.000 0.735 42 N CB -1.511 36.924 38.487 -0.087 0.000 0.924 42 N HN 1.366 nan 8.380 nan 0.000 0.540 43 T N -2.557 112.017 114.554 0.034 0.000 2.948 43 T HA 0.753 5.103 4.350 -0.000 0.000 0.285 43 T C -0.035 174.731 174.700 0.110 0.000 1.019 43 T CA -0.770 61.323 62.100 -0.013 0.000 1.013 43 T CB 2.025 70.890 68.868 -0.004 0.000 1.117 43 T HN 0.237 nan 8.240 nan 0.000 0.533 44 Y N -1.737 118.612 120.300 0.081 0.000 2.602 44 Y HA 0.773 5.323 4.550 -0.000 0.000 0.342 44 Y C -2.944 172.943 175.900 -0.023 0.000 1.029 44 Y CA -3.524 54.609 58.100 0.055 0.000 1.080 44 Y CB 0.622 39.114 38.460 0.052 0.000 1.284 44 Y HN 0.403 nan 8.280 nan 0.000 0.485 45 P HA 0.218 nan 4.420 nan 0.000 0.277 45 P C -0.749 176.570 177.300 0.032 0.000 1.354 45 P CA 0.170 63.219 63.100 -0.085 0.000 0.891 45 P CB 0.627 32.160 31.700 -0.277 0.000 1.058 46 A N 6.599 129.402 122.820 -0.028 0.000 2.539 46 A HA 0.307 4.627 4.320 -0.000 0.000 0.306 46 A C 0.502 178.034 177.584 -0.086 0.000 1.392 46 A CA -0.485 51.493 52.037 -0.098 0.000 1.060 46 A CB -0.548 18.133 19.000 -0.532 0.000 1.134 46 A HN 0.388 nan 8.150 nan 0.000 0.542 47 I N 2.134 122.698 120.570 -0.009 0.000 2.363 47 I HA 0.530 4.700 4.170 -0.000 0.000 0.292 47 I C 0.596 176.781 176.117 0.112 0.000 1.075 47 I CA 0.313 61.631 61.300 0.030 0.000 1.333 47 I CB -0.406 37.608 38.000 0.025 0.000 1.415 47 I HN 0.710 nan 8.210 nan 0.000 0.502 48 A N 7.172 130.093 122.820 0.169 0.000 2.569 48 A HA 0.628 4.948 4.320 -0.000 0.000 0.292 48 A C -0.520 177.323 177.584 0.431 0.000 1.032 48 A CA -0.925 51.255 52.037 0.238 0.000 0.669 48 A CB 1.426 20.385 19.000 -0.068 0.000 1.290 48 A HN 0.466 nan 8.150 nan 0.000 0.422 49 R N 0.095 120.768 120.500 0.289 0.000 2.615 49 R HA 0.463 4.803 4.340 -0.000 0.000 0.270 49 R C -2.629 173.595 176.300 -0.126 0.000 1.081 49 R CA -1.979 54.156 56.100 0.058 0.000 1.154 49 R CB -0.487 29.831 30.300 0.029 0.000 1.063 49 R HN 0.435 nan 8.270 nan 0.000 0.519 50 P HA -0.122 nan 4.420 nan 0.000 0.264 50 P C -0.201 176.977 177.300 -0.203 0.000 1.183 50 P CA 0.378 62.932 63.100 -0.911 0.000 0.763 50 P CB 0.200 31.142 31.700 -1.263 0.000 0.807 51 W N 0.053 121.395 121.300 0.071 0.000 4.650 51 W HA -0.164 4.496 4.660 0.000 0.000 0.335 51 W C 0.725 177.364 176.519 0.201 0.000 1.222 51 W CA 0.897 58.349 57.345 0.178 0.000 0.807 51 W CB -2.505 27.084 29.460 0.215 0.000 2.290 51 W HN 0.505 nan 8.180 nan 0.000 1.514 52 G N 0.991 110.044 108.800 0.422 0.000 2.321 52 G HA2 0.157 4.117 3.960 -0.000 0.000 0.237 52 G HA3 0.157 4.117 3.960 -0.000 0.000 0.237 52 G C 0.857 175.898 174.900 0.236 0.000 1.282 52 G CA 0.318 45.636 45.100 0.363 0.000 0.886 52 G HN 0.304 nan 8.290 nan 0.000 0.528 53 M N 1.740 121.437 119.600 0.160 0.000 2.175 53 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 53 M C 0.081 176.509 176.300 0.214 0.000 1.063 53 M CA 1.045 56.443 55.300 0.164 0.000 1.119 53 M CB 0.037 32.706 32.600 0.115 0.000 1.377 53 M HN 0.404 nan 8.290 nan 0.000 0.415 54 N N 0.340 119.150 118.700 0.184 0.000 2.399 54 N HA 0.287 5.027 4.740 -0.000 0.000 0.280 54 N C -1.567 174.047 175.510 0.173 0.000 1.008 54 N CA -0.307 52.775 53.050 0.052 0.000 0.894 54 N CB 1.183 39.761 38.487 0.153 0.000 1.273 54 N HN -0.009 nan 8.380 nan 0.000 0.486 55 F N 0.605 120.401 119.950 -0.256 0.000 2.403 55 F HA 0.500 5.027 4.527 -0.000 0.000 0.326 55 F C 0.079 175.647 175.800 -0.387 0.000 1.081 55 F CA -1.187 56.732 58.000 -0.135 0.000 1.041 55 F CB 0.650 39.624 39.000 -0.043 0.000 1.234 55 F HN 0.291 nan 8.300 nan 0.000 0.503 56 W N 0.194 121.562 121.300 0.113 0.000 2.785 56 W HA 0.550 5.210 4.660 -0.000 0.000 0.333 56 W C -0.394 176.096 176.519 -0.050 0.000 1.062 56 W CA -0.584 56.753 57.345 -0.013 0.000 1.233 56 W CB 2.164 31.605 29.460 -0.033 0.000 1.413 56 W HN 0.401 nan 8.180 nan 0.000 0.489 57 T N 4.173 118.781 114.554 0.089 0.000 2.956 57 T HA 0.480 4.830 4.350 -0.000 0.000 0.312 57 T C -2.802 171.835 174.700 -0.104 0.000 1.151 57 T CA -2.185 59.873 62.100 -0.070 0.000 1.024 57 T CB 1.421 70.237 68.868 -0.086 0.000 1.140 57 T HN 0.069 nan 8.240 nan 0.000 0.473 58 P HA 0.098 nan 4.420 nan 0.000 0.267 58 P C -1.084 176.149 177.300 -0.112 0.000 1.200 58 P CA -0.021 62.905 63.100 -0.290 0.000 0.772 58 P CB 0.458 31.976 31.700 -0.303 0.000 0.855 59 Q N 1.310 120.977 119.800 -0.220 0.000 2.341 59 Q HA 0.273 4.613 4.340 -0.000 0.000 0.268 59 Q C 0.640 176.552 176.000 -0.147 0.000 1.013 59 Q CA -0.364 55.372 55.803 -0.111 0.000 0.798 59 Q CB 1.063 29.739 28.738 -0.104 0.000 1.253 59 Q HN 0.519 nan 8.270 nan 0.000 0.457 60 T N -0.347 114.149 114.554 -0.097 0.000 3.040 60 T HA 0.250 4.599 4.350 -0.000 0.000 0.252 60 T C 0.853 175.491 174.700 -0.103 0.000 1.064 60 T CA 0.373 62.386 62.100 -0.146 0.000 1.110 60 T CB 0.290 69.031 68.868 -0.212 0.000 0.921 60 T HN 0.495 nan 8.240 nan 0.000 0.480 61 G N 1.297 110.066 108.800 -0.051 0.000 2.539 61 G HA2 0.460 4.420 3.960 -0.000 0.000 0.258 61 G HA3 0.460 4.420 3.960 -0.000 0.000 0.258 61 G C -0.553 174.315 174.900 -0.054 0.000 1.202 61 G CA -0.826 44.257 45.100 -0.028 0.000 0.851 61 G HN 0.394 nan 8.290 nan 0.000 0.556 62 K N 0.592 120.956 120.400 -0.060 0.000 2.319 62 K HA 0.050 4.370 4.320 -0.000 0.000 0.265 62 K C 0.879 177.422 176.600 -0.094 0.000 1.000 62 K CA -0.194 56.040 56.287 -0.088 0.000 0.943 62 K CB 0.812 33.262 32.500 -0.082 0.000 0.950 62 K HN 0.575 nan 8.250 nan 0.000 0.485 63 M N 1.555 121.046 119.600 -0.180 0.000 2.255 63 M HA -0.120 4.360 4.480 -0.000 0.000 0.356 63 M C 0.802 177.015 176.300 -0.145 0.000 1.338 63 M CA 2.034 57.161 55.300 -0.287 0.000 0.962 63 M CB -0.222 31.997 32.600 -0.634 0.000 1.877 63 M HN 0.977 nan 8.290 nan 0.000 0.463 64 G N 3.121 111.903 108.800 -0.030 0.000 2.268 64 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.240 64 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.240 64 G C -0.111 174.810 174.900 0.036 0.000 1.010 64 G CA 0.232 45.344 45.100 0.020 0.000 0.618 64 G HN 0.820 nan 8.290 nan 0.000 0.516 65 D N 1.569 121.988 120.400 0.032 0.000 2.401 65 D HA 0.434 5.074 4.640 -0.000 0.000 0.254 65 D C 1.735 178.090 176.300 0.091 0.000 1.192 65 D CA 0.819 54.870 54.000 0.086 0.000 0.885 65 D CB 0.676 41.526 40.800 0.084 0.000 1.147 65 D HN 0.283 nan 8.370 nan 0.000 0.478 66 G N 3.958 112.816 108.800 0.098 0.000 2.462 66 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 66 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 66 G C 0.703 175.448 174.900 -0.259 0.000 1.121 66 G CA -0.097 44.915 45.100 -0.146 0.000 0.758 66 G HN 0.602 nan 8.290 nan 0.000 0.559 67 W N 2.263 123.503 121.300 -0.100 0.000 1.836 67 W HA 0.209 4.869 4.660 -0.000 0.000 0.449 67 W C 1.443 177.949 176.519 -0.022 0.000 0.787 67 W CA -0.340 56.974 57.345 -0.052 0.000 1.729 67 W CB -0.112 29.313 29.460 -0.058 0.000 1.802 67 W HN 0.539 nan 8.180 nan 0.000 0.257 68 Q N 1.145 120.994 119.800 0.081 0.000 2.331 68 Q HA -0.124 4.216 4.340 -0.000 0.000 0.203 68 Q C -0.039 176.035 176.000 0.123 0.000 0.944 68 Q CA 0.999 56.829 55.803 0.045 0.000 0.892 68 Q CB 0.190 28.877 28.738 -0.084 0.000 0.983 68 Q HN 0.398 nan 8.270 nan 0.000 0.482 69 Y N 1.499 121.843 120.300 0.075 0.000 2.354 69 Y HA 0.373 4.923 4.550 -0.000 0.000 0.330 69 Y C -1.331 174.691 175.900 0.203 0.000 1.011 69 Y CA -0.652 57.519 58.100 0.119 0.000 1.099 69 Y CB 2.062 40.600 38.460 0.129 0.000 1.179 69 Y HN 0.090 nan 8.280 nan 0.000 0.442 70 T N 2.015 116.495 114.554 -0.123 0.000 2.876 70 T HA 0.184 4.534 4.350 -0.000 0.000 0.289 70 T C 0.176 174.825 174.700 -0.085 0.000 1.014 70 T CA -0.567 61.569 62.100 0.060 0.000 0.986 70 T CB 1.253 70.185 68.868 0.106 0.000 1.021 70 T HN 0.749 nan 8.240 nan 0.000 0.458 71 Y N 3.019 123.362 120.300 0.073 0.000 2.224 71 Y HA -0.121 4.429 4.550 -0.000 0.000 0.289 71 Y C 2.633 178.632 175.900 0.165 0.000 1.146 71 Y CA 2.403 60.589 58.100 0.143 0.000 1.182 71 Y CB -0.301 38.204 38.460 0.075 0.000 0.983 71 Y HN 0.866 nan 8.280 nan 0.000 0.524 72 T N -1.404 113.258 114.554 0.179 0.000 3.148 72 T HA 0.341 4.691 4.350 -0.000 0.000 0.253 72 T C 0.744 175.397 174.700 -0.077 0.000 1.134 72 T CA 0.155 62.298 62.100 0.071 0.000 1.051 72 T CB -0.673 68.246 68.868 0.085 0.000 0.959 72 T HN 0.357 nan 8.240 nan 0.000 0.525 73 A N 1.689 124.433 122.820 -0.127 0.000 2.407 73 A HA 0.475 4.795 4.320 -0.000 0.000 0.248 73 A C 1.108 178.497 177.584 -0.324 0.000 1.082 73 A CA -0.674 51.243 52.037 -0.200 0.000 0.785 73 A CB 0.255 19.151 19.000 -0.173 0.000 1.020 73 A HN 0.273 nan 8.150 nan 0.000 0.489 74 N N 0.216 118.638 118.700 -0.464 0.000 2.405 74 N HA 0.063 4.803 4.740 -0.000 0.000 0.175 74 N C -0.325 174.825 175.510 -0.599 0.000 1.051 74 N CA 0.947 53.485 53.050 -0.855 0.000 0.899 74 N CB 0.196 37.768 38.487 -1.525 0.000 1.000 74 N HN 0.622 nan 8.380 nan 0.000 0.451 75 K N 0.344 120.586 120.400 -0.264 0.000 2.468 75 K HA 0.456 4.776 4.320 -0.000 0.000 0.252 75 K C -0.882 175.664 176.600 -0.089 0.000 0.932 75 K CA -0.488 55.717 56.287 -0.137 0.000 0.794 75 K CB 2.644 34.970 32.500 -0.290 0.000 1.241 75 K HN -0.148 nan 8.250 nan 0.000 0.428 76 I N 3.353 123.831 120.570 -0.153 0.000 2.392 76 I HA 0.278 4.448 4.170 -0.000 0.000 0.295 76 I C 1.375 177.352 176.117 -0.233 0.000 0.985 76 I CA -0.274 60.837 61.300 -0.314 0.000 1.221 76 I CB 1.092 38.767 38.000 -0.542 0.000 1.366 76 I HN 0.665 nan 8.210 nan 0.000 0.467 77 R N 4.025 124.381 120.500 -0.240 0.000 2.509 77 R HA 0.500 4.840 4.340 -0.000 0.000 0.297 77 R C 0.189 176.384 176.300 -0.174 0.000 0.951 77 R CA -0.129 55.870 56.100 -0.168 0.000 1.103 77 R CB 1.019 31.230 30.300 -0.148 0.000 1.283 77 R HN 0.733 nan 8.270 nan 0.000 0.534 78 G N 0.591 109.219 108.800 -0.286 0.000 2.356 78 G HA2 0.426 4.386 3.960 -0.000 0.000 0.294 78 G HA3 0.426 4.386 3.960 -0.000 0.000 0.294 78 G C -1.959 172.642 174.900 -0.497 0.000 1.423 78 G CA -0.896 44.058 45.100 -0.244 0.000 0.806 78 G HN 0.023 nan 8.290 nan 0.000 0.527 79 F N 0.814 120.829 119.950 0.108 0.000 2.449 79 F HA 0.679 5.206 4.527 -0.000 0.000 0.342 79 F C 0.424 176.372 175.800 0.246 0.000 1.127 79 F CA -0.723 57.409 58.000 0.221 0.000 0.975 79 F CB 2.565 41.837 39.000 0.452 0.000 1.146 79 F HN 0.355 nan 8.300 nan 0.000 0.444 80 K N 3.236 123.765 120.400 0.215 0.000 2.324 80 K HA 0.316 4.636 4.320 -0.000 0.000 0.253 80 K C -1.019 175.143 176.600 -0.730 0.000 0.932 80 K CA -0.713 55.439 56.287 -0.225 0.000 0.799 80 K CB 1.886 34.249 32.500 -0.228 0.000 1.154 80 K HN 0.771 nan 8.250 nan 0.000 0.425 81 Q N 2.700 121.577 119.800 -1.538 0.000 2.288 81 Q HA 0.140 4.480 4.340 -0.000 0.000 0.258 81 Q C -1.236 174.111 176.000 -1.088 0.000 0.957 81 Q CA 0.172 54.823 55.803 -1.921 0.000 0.919 81 Q CB 1.306 28.728 28.738 -2.192 0.000 1.185 81 Q HN 0.623 nan 8.270 nan 0.000 0.408 82 T N 2.455 116.450 114.554 -0.932 0.000 2.903 82 T HA 0.389 4.739 4.350 -0.000 0.000 0.299 82 T C -0.802 173.390 174.700 -0.847 0.000 1.093 82 T CA -0.478 61.208 62.100 -0.689 0.000 1.002 82 T CB 0.974 69.514 68.868 -0.547 0.000 1.127 82 T HN 0.796 nan 8.240 nan 0.000 0.488 83 H N 0.811 119.671 119.070 -0.349 0.000 2.923 83 H HA 0.351 4.907 4.556 -0.000 0.000 0.268 83 H C 0.624 175.954 175.328 0.004 0.000 1.148 83 H CA -0.342 55.514 56.048 -0.319 0.000 1.146 83 H CB 0.585 29.897 29.762 -0.749 0.000 1.607 83 H HN 0.447 nan 8.280 nan 0.000 0.566 84 Q N 3.749 123.622 119.800 0.123 0.000 2.255 84 Q HA 0.022 4.362 4.340 -0.000 0.000 0.280 84 Q C -1.615 174.677 176.000 0.486 0.000 1.068 84 Q CA -1.456 54.493 55.803 0.243 0.000 0.911 84 Q CB 1.044 29.819 28.738 0.063 0.000 1.157 84 Q HN 0.206 nan 8.270 nan 0.000 0.380 85 P HA 0.007 nan 4.420 nan 0.000 0.234 85 P C -0.544 176.754 177.300 -0.003 0.000 1.175 85 P CA 0.533 63.653 63.100 0.032 0.000 0.801 85 P CB 0.509 32.331 31.700 0.204 0.000 0.891 86 S N -2.307 113.417 115.700 0.040 0.000 2.595 86 S HA 0.374 4.844 4.470 -0.000 0.000 0.270 86 S C -2.773 171.664 174.600 -0.271 0.000 1.145 86 S CA -1.024 57.133 58.200 -0.072 0.000 0.825 86 S CB 1.361 64.599 63.200 0.063 0.000 1.107 86 S HN -0.258 nan 8.310 nan 0.000 0.461 87 P HA 0.076 nan 4.420 nan 0.000 0.225 87 P C 0.705 177.507 177.300 -0.830 0.000 1.156 87 P CA 0.846 63.321 63.100 -1.043 0.000 0.787 87 P CB -0.237 30.143 31.700 -2.199 0.000 0.802 88 W N -0.125 121.039 121.300 -0.227 0.000 2.407 88 W HA -0.011 4.649 4.660 0.000 0.000 0.305 88 W C 2.284 178.719 176.519 -0.140 0.000 1.196 88 W CA -0.018 57.263 57.345 -0.106 0.000 1.311 88 W CB -1.050 28.366 29.460 -0.074 0.000 1.135 88 W HN -0.210 nan 8.180 nan 0.000 0.514 89 I N -0.078 120.474 120.570 -0.030 0.000 2.406 89 I HA -0.143 4.027 4.170 -0.000 0.000 0.249 89 I C 1.332 177.409 176.117 -0.067 0.000 1.122 89 I CA 1.230 62.442 61.300 -0.147 0.000 1.431 89 I CB -1.479 36.330 38.000 -0.318 0.000 1.087 89 I HN 0.215 nan 8.210 nan 0.000 0.424 90 N N 0.819 119.479 118.700 -0.066 0.000 5.833 90 N HA -0.206 4.534 4.740 -0.000 0.000 0.357 90 N C -0.362 175.173 175.510 0.042 0.000 0.922 90 N CA 1.034 54.063 53.050 -0.036 0.000 1.099 90 N CB -0.540 37.940 38.487 -0.013 0.000 0.862 90 N HN 0.185 nan 8.380 nan 0.000 0.427 91 D N -0.913 119.526 120.400 0.065 0.000 2.467 91 D HA 0.765 5.405 4.640 -0.000 0.000 0.245 91 D C -0.825 175.596 176.300 0.202 0.000 1.038 91 D CA 0.107 54.157 54.000 0.084 0.000 1.038 91 D CB 1.020 41.819 40.800 -0.002 0.000 1.278 91 D HN 0.466 nan 8.370 nan 0.000 0.564 92 Y N -3.027 117.349 120.300 0.127 0.000 2.702 92 Y HA 0.454 5.004 4.550 -0.000 0.000 0.336 92 Y C 0.140 176.284 175.900 0.407 0.000 1.203 92 Y CA -0.981 57.220 58.100 0.169 0.000 1.072 92 Y CB 0.673 39.087 38.460 -0.076 0.000 1.327 92 Y HN 0.524 nan 8.280 nan 0.000 0.456 93 G N 2.181 111.397 108.800 0.693 0.000 2.372 93 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.297 93 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.297 93 G C -0.771 174.286 174.900 0.261 0.000 1.005 93 G CA 0.484 45.952 45.100 0.614 0.000 1.173 93 G HN 1.031 nan 8.290 nan 0.000 0.511 94 Q N -0.721 119.115 119.800 0.060 0.000 2.321 94 Q HA 0.817 5.157 4.340 -0.000 0.000 0.270 94 Q C -0.389 175.227 176.000 -0.640 0.000 1.032 94 Q CA -1.273 54.302 55.803 -0.379 0.000 0.784 94 Q CB 1.992 30.461 28.738 -0.448 0.000 1.264 94 Q HN 0.994 nan 8.270 nan 0.000 0.448 95 F N -0.645 118.788 119.950 -0.862 0.000 2.715 95 F HA 0.866 5.393 4.527 -0.000 0.000 0.318 95 F C -1.243 174.242 175.800 -0.526 0.000 1.141 95 F CA -0.756 56.770 58.000 -0.790 0.000 0.950 95 F CB 1.530 40.163 39.000 -0.611 0.000 1.374 95 F HN 0.707 nan 8.300 nan 0.000 0.477 96 S N 1.144 116.790 115.700 -0.090 0.000 2.638 96 S HA 0.828 5.298 4.470 -0.000 0.000 0.274 96 S C -1.701 173.009 174.600 0.182 0.000 1.157 96 S CA -0.747 57.446 58.200 -0.012 0.000 0.826 96 S CB 1.953 65.231 63.200 0.131 0.000 1.139 96 S HN 1.202 nan 8.310 nan 0.000 0.474 97 I N 0.949 121.619 120.570 0.167 0.000 2.730 97 I HA 0.801 4.971 4.170 -0.000 0.000 0.298 97 I C -1.864 174.355 176.117 0.168 0.000 1.089 97 I CA -1.186 60.194 61.300 0.134 0.000 1.041 97 I CB 2.137 40.138 38.000 0.002 0.000 1.235 97 I HN 0.925 nan 8.210 nan 0.000 0.423 98 M N 10.202 129.856 119.600 0.091 0.000 2.234 98 M HA 0.552 5.032 4.480 -0.000 0.000 0.267 98 M C -2.927 173.321 176.300 -0.087 0.000 1.022 98 M CA -1.604 53.756 55.300 0.100 0.000 0.993 98 M CB 2.264 34.887 32.600 0.038 0.000 1.836 98 M HN 0.146 nan 8.290 nan 0.000 0.479 99 P HA 0.551 nan 4.420 nan 0.000 0.284 99 P C -1.173 175.972 177.300 -0.258 0.000 1.253 99 P CA -0.314 62.581 63.100 -0.341 0.000 0.800 99 P CB 0.816 32.076 31.700 -0.734 0.000 0.961 100 I N 0.255 120.685 120.570 -0.234 0.000 3.006 100 I HA 0.727 4.897 4.170 -0.000 0.000 0.306 100 I C -0.931 175.112 176.117 -0.125 0.000 1.250 100 I CA -1.485 59.429 61.300 -0.643 0.000 0.996 100 I CB 2.403 40.080 38.000 -0.539 0.000 1.261 100 I HN 0.188 nan 8.210 nan 0.000 0.442 101 V N 1.186 121.050 119.914 -0.083 0.000 2.960 101 V HA 1.062 5.182 4.120 -0.000 0.000 0.315 101 V C 0.393 176.617 176.094 0.217 0.000 1.087 101 V CA 0.499 62.902 62.300 0.172 0.000 0.982 101 V CB 0.681 32.634 31.823 0.217 0.000 1.039 101 V HN 1.769 nan 8.190 nan 0.000 0.437 102 G N 1.468 110.416 108.800 0.248 0.000 3.110 102 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.238 102 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.238 102 G C -0.226 174.782 174.900 0.179 0.000 1.647 102 G CA 0.148 45.370 45.100 0.204 0.000 1.146 102 G HN 1.007 nan 8.290 nan 0.000 0.545 103 Q N 2.522 122.345 119.800 0.038 0.000 2.257 103 Q HA 0.424 4.764 4.340 -0.000 0.000 0.255 103 Q C -2.336 173.467 176.000 -0.329 0.000 0.920 103 Q CA -1.628 54.098 55.803 -0.129 0.000 0.927 103 Q CB 2.098 30.777 28.738 -0.099 0.000 1.229 103 Q HN 0.413 nan 8.270 nan 0.000 0.433 104 P HA 0.001 nan 4.420 nan 0.000 0.268 104 P C -0.505 176.548 177.300 -0.412 0.000 1.282 104 P CA 0.142 62.644 63.100 -0.998 0.000 0.880 104 P CB -0.005 30.909 31.700 -1.309 0.000 0.971 105 V N 1.211 120.971 119.914 -0.256 0.000 2.495 105 V HA 0.410 4.530 4.120 -0.000 0.000 0.298 105 V C 0.549 176.620 176.094 -0.037 0.000 1.031 105 V CA -0.730 61.507 62.300 -0.106 0.000 0.871 105 V CB 1.628 33.408 31.823 -0.071 0.000 0.988 105 V HN 0.259 nan 8.190 nan 0.000 0.432 106 F N 2.408 122.278 119.950 -0.133 0.000 2.446 106 F HA 0.285 4.812 4.527 -0.000 0.000 0.292 106 F C 1.302 177.044 175.800 -0.096 0.000 1.096 106 F CA 0.417 58.346 58.000 -0.117 0.000 1.438 106 F CB 0.069 38.987 39.000 -0.138 0.000 1.107 106 F HN 0.832 nan 8.300 nan 0.000 0.546 107 D N 1.236 121.595 120.400 -0.069 0.000 2.583 107 D HA -0.153 4.487 4.640 -0.000 0.000 0.232 107 D C 1.409 177.570 176.300 -0.232 0.000 1.128 107 D CA 0.791 54.713 54.000 -0.129 0.000 0.859 107 D CB 0.575 41.347 40.800 -0.046 0.000 1.169 107 D HN 0.623 nan 8.370 nan 0.000 0.481 108 E N 2.385 122.429 120.200 -0.261 0.000 2.204 108 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 108 E C 1.061 177.570 176.600 -0.153 0.000 0.989 108 E CA 1.025 57.279 56.400 -0.243 0.000 0.824 108 E CB 0.028 29.590 29.700 -0.231 0.000 0.756 108 E HN 0.661 nan 8.360 nan 0.000 0.477 109 E N 0.949 121.080 120.200 -0.115 0.000 2.060 109 E HA -0.040 4.310 4.350 -0.000 0.000 0.189 109 E C 1.978 178.541 176.600 -0.062 0.000 0.974 109 E CA 0.658 57.008 56.400 -0.085 0.000 0.808 109 E CB 0.127 29.787 29.700 -0.068 0.000 0.768 109 E HN 0.185 nan 8.360 nan 0.000 0.453 110 K N 0.868 121.235 120.400 -0.055 0.000 2.147 110 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 110 K C 2.151 178.751 176.600 -0.000 0.000 1.049 110 K CA 1.203 57.474 56.287 -0.027 0.000 0.936 110 K CB -0.072 32.411 32.500 -0.027 0.000 0.722 110 K HN 0.077 nan 8.250 nan 0.000 0.446 111 R N 0.536 121.023 120.500 -0.022 0.000 2.299 111 R HA 0.213 4.553 4.340 -0.000 0.000 0.197 111 R C 0.500 176.876 176.300 0.126 0.000 0.971 111 R CA 0.142 56.267 56.100 0.042 0.000 1.030 111 R CB 0.030 30.294 30.300 -0.060 0.000 0.932 111 R HN -0.071 nan 8.270 nan 0.000 0.477 112 A N 1.325 124.157 122.820 0.021 0.000 2.406 112 A HA 0.311 4.631 4.320 -0.000 0.000 0.243 112 A C -0.264 177.304 177.584 -0.027 0.000 1.082 112 A CA 0.009 52.036 52.037 -0.017 0.000 0.786 112 A CB 0.770 19.723 19.000 -0.079 0.000 1.029 112 A HN 0.331 nan 8.150 nan 0.000 0.495 113 S N -0.140 115.533 115.700 -0.046 0.000 2.571 113 S HA 0.470 4.940 4.470 -0.000 0.000 0.284 113 S C -0.968 173.665 174.600 0.055 0.000 1.128 113 S CA -0.545 57.623 58.200 -0.053 0.000 0.970 113 S CB 0.223 63.364 63.200 -0.099 0.000 1.039 113 S HN 0.578 nan 8.310 nan 0.000 0.485 114 W N 4.617 125.900 121.300 -0.029 0.000 2.364 114 W HA 0.293 4.953 4.660 0.000 0.000 0.343 114 W C 0.215 176.819 176.519 0.142 0.000 1.237 114 W CA 0.821 58.181 57.345 0.026 0.000 1.319 114 W CB 0.280 29.715 29.460 -0.041 0.000 1.179 114 W HN 0.581 nan 8.180 nan 0.000 0.578 115 F N 0.641 120.688 119.950 0.161 0.000 2.779 115 F HA 0.852 5.379 4.527 -0.000 0.000 0.316 115 F C -1.196 174.646 175.800 0.071 0.000 1.164 115 F CA -1.918 56.143 58.000 0.102 0.000 0.924 115 F CB 0.464 39.478 39.000 0.023 0.000 1.348 115 F HN 0.435 nan 8.300 nan 0.000 0.467 116 A N 0.118 122.790 122.820 -0.247 0.000 2.469 116 A HA 0.570 4.890 4.320 -0.000 0.000 0.299 116 A C -0.156 177.244 177.584 -0.306 0.000 1.098 116 A CA -0.708 51.042 52.037 -0.477 0.000 0.737 116 A CB 0.702 19.633 19.000 -0.116 0.000 1.312 116 A HN 0.984 nan 8.150 nan 0.000 0.414 117 H N 0.493 119.463 119.070 -0.167 0.000 2.491 117 H HA -0.014 4.542 4.556 -0.000 0.000 0.290 117 H C 0.908 176.300 175.328 0.106 0.000 1.050 117 H CA 1.518 57.592 56.048 0.044 0.000 1.309 117 H CB 0.263 30.014 29.762 -0.017 0.000 1.392 117 H HN 0.639 nan 8.280 nan 0.000 0.554 118 K N 0.295 120.787 120.400 0.152 0.000 2.486 118 K HA 0.012 4.332 4.320 -0.000 0.000 0.194 118 K C 1.701 178.364 176.600 0.105 0.000 1.033 118 K CA 0.499 56.857 56.287 0.119 0.000 1.004 118 K CB 0.382 32.933 32.500 0.085 0.000 0.798 118 K HN 0.159 nan 8.250 nan 0.000 0.495 119 G N 0.736 109.619 108.800 0.138 0.000 3.393 119 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.255 119 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.255 119 G C -0.399 174.609 174.900 0.181 0.000 1.097 119 G CA -0.193 45.008 45.100 0.168 0.000 0.780 119 G HN 0.135 nan 8.290 nan 0.000 0.540 120 E N 0.411 120.708 120.200 0.161 0.000 2.222 120 E HA 0.521 4.871 4.350 -0.000 0.000 0.267 120 E C -1.530 175.062 176.600 -0.015 0.000 0.884 120 E CA -0.542 55.904 56.400 0.076 0.000 0.764 120 E CB 2.567 32.435 29.700 0.281 0.000 1.169 120 E HN -0.110 nan 8.360 nan 0.000 0.413 121 V N 2.816 122.604 119.914 -0.209 0.000 2.376 121 V HA 0.585 4.705 4.120 -0.000 0.000 0.287 121 V C -0.473 175.448 176.094 -0.288 0.000 1.015 121 V CA -0.669 61.542 62.300 -0.149 0.000 0.834 121 V CB 1.188 32.984 31.823 -0.046 0.000 1.001 121 V HN 0.728 nan 8.190 nan 0.000 0.428 122 A N 3.852 126.605 122.820 -0.112 0.000 2.267 122 A HA 0.844 5.164 4.320 -0.000 0.000 0.315 122 A C 0.219 177.724 177.584 -0.132 0.000 1.297 122 A CA -0.284 51.735 52.037 -0.029 0.000 0.865 122 A CB 0.930 20.021 19.000 0.152 0.000 1.165 122 A HN 0.893 nan 8.150 nan 0.000 0.513 123 T N -0.257 114.153 114.554 -0.241 0.000 2.926 123 T HA 0.701 5.051 4.350 -0.000 0.000 0.289 123 T C -2.311 172.090 174.700 -0.498 0.000 1.054 123 T CA -1.889 59.937 62.100 -0.457 0.000 1.015 123 T CB 1.824 70.220 68.868 -0.787 0.000 1.167 123 T HN 0.167 nan 8.240 nan 0.000 0.526 124 P HA 0.000 nan 4.420 nan 0.000 0.223 124 P C 0.872 178.093 177.300 -0.132 0.000 1.151 124 P CA 0.950 63.723 63.100 -0.545 0.000 0.787 124 P CB -0.365 30.623 31.700 -1.187 0.000 0.788 125 Y N -3.463 116.841 120.300 0.006 0.000 2.444 125 Y HA 0.476 5.026 4.550 -0.000 0.000 0.249 125 Y C 0.220 176.229 175.900 0.182 0.000 1.134 125 Y CA -1.140 57.061 58.100 0.168 0.000 1.261 125 Y CB -0.131 38.452 38.460 0.204 0.000 1.143 125 Y HN -0.173 nan 8.280 nan 0.000 0.523 126 Y N 0.424 120.518 120.300 -0.343 0.000 2.424 126 Y HA 0.453 5.003 4.550 -0.000 0.000 0.323 126 Y C -2.466 173.331 175.900 -0.171 0.000 1.174 126 Y CA -2.303 55.676 58.100 -0.201 0.000 1.060 126 Y CB 0.974 39.339 38.460 -0.158 0.000 1.314 126 Y HN 0.056 nan 8.280 nan 0.000 0.439 127 Y N 6.435 126.242 120.300 -0.821 0.000 2.406 127 Y HA 0.627 5.177 4.550 -0.000 0.000 0.340 127 Y C -1.439 173.995 175.900 -0.775 0.000 0.975 127 Y CA -0.814 56.903 58.100 -0.638 0.000 1.056 127 Y CB 1.468 39.749 38.460 -0.299 0.000 1.210 127 Y HN 0.720 nan 8.280 nan 0.000 0.448 128 K N 5.192 124.927 120.400 -1.108 0.000 2.426 128 K HA 0.837 5.157 4.320 -0.000 0.000 0.251 128 K C -2.372 173.876 176.600 -0.587 0.000 0.941 128 K CA -0.876 55.011 56.287 -0.666 0.000 0.808 128 K CB 2.303 34.578 32.500 -0.375 0.000 1.265 128 K HN 0.565 nan 8.250 nan 0.000 0.432 129 V N 3.794 123.608 119.914 -0.166 0.000 3.077 129 V HA 0.351 4.471 4.120 -0.000 0.000 0.299 129 V C -2.113 174.106 176.094 0.208 0.000 1.276 129 V CA -0.754 61.571 62.300 0.042 0.000 0.993 129 V CB 1.826 33.735 31.823 0.144 0.000 1.076 129 V HN 0.813 nan 8.190 nan 0.000 0.434 130 Y N 6.187 126.561 120.300 0.124 0.000 2.383 130 Y HA 0.612 5.162 4.550 -0.000 0.000 0.344 130 Y C -0.191 175.826 175.900 0.195 0.000 0.986 130 Y CA -0.691 57.491 58.100 0.136 0.000 1.175 130 Y CB 1.071 39.596 38.460 0.109 0.000 1.152 130 Y HN 0.584 nan 8.280 nan 0.000 0.511 131 L N 7.740 128.846 121.223 -0.195 0.000 2.385 131 L HA 0.285 4.625 4.340 -0.000 0.000 0.285 131 L C 1.330 177.920 176.870 -0.467 0.000 1.125 131 L CA -0.017 54.730 54.840 -0.156 0.000 0.890 131 L CB 0.506 42.591 42.059 0.044 0.000 1.251 131 L HN 0.904 nan 8.230 nan 0.000 0.445 132 A N 2.589 125.224 122.820 -0.309 0.000 2.019 132 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 132 A C 1.975 179.453 177.584 -0.177 0.000 1.164 132 A CA 1.297 53.170 52.037 -0.273 0.000 0.644 132 A CB -0.143 18.893 19.000 0.061 0.000 0.805 132 A HN 0.809 nan 8.150 nan 0.000 0.449 133 E N -1.471 118.615 120.200 -0.191 0.000 2.400 133 E HA -0.019 4.331 4.350 -0.000 0.000 0.195 133 E C 0.878 177.304 176.600 -0.290 0.000 1.012 133 E CA 0.286 56.549 56.400 -0.229 0.000 0.875 133 E CB 0.049 29.604 29.700 -0.243 0.000 0.859 133 E HN 0.702 nan 8.360 nan 0.000 0.498 134 H N -0.092 118.954 119.070 -0.040 0.000 2.586 134 H HA 0.042 4.598 4.556 -0.000 0.000 0.273 134 H C 0.101 175.415 175.328 -0.022 0.000 0.997 134 H CA 0.342 56.385 56.048 -0.009 0.000 1.177 134 H CB 0.397 30.160 29.762 0.002 0.000 1.471 134 H HN 0.071 nan 8.280 nan 0.000 0.538 135 D N 0.871 121.249 120.400 -0.036 0.000 2.689 135 D HA -0.189 4.451 4.640 -0.000 0.000 0.237 135 D C -0.630 175.714 176.300 0.073 0.000 1.148 135 D CA 0.334 54.351 54.000 0.027 0.000 0.656 135 D CB -1.613 39.285 40.800 0.164 0.000 1.050 135 D HN 0.418 nan 8.370 nan 0.000 0.426 136 I N 0.005 120.531 120.570 -0.074 0.000 2.498 136 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 136 I C 0.269 176.407 176.117 0.034 0.000 1.032 136 I CA -1.229 60.048 61.300 -0.037 0.000 1.073 136 I CB 2.134 40.047 38.000 -0.143 0.000 1.251 136 I HN -0.237 nan 8.210 nan 0.000 0.426 137 V N 4.813 124.805 119.914 0.129 0.000 2.465 137 V HA 0.362 4.482 4.120 -0.000 0.000 0.279 137 V C 0.176 176.320 176.094 0.083 0.000 1.045 137 V CA -0.184 62.214 62.300 0.164 0.000 0.938 137 V CB 1.448 33.373 31.823 0.170 0.000 0.986 137 V HN 0.718 nan 8.190 nan 0.000 0.467 138 T N 5.201 119.792 114.554 0.061 0.000 2.807 138 T HA 0.538 4.888 4.350 -0.000 0.000 0.279 138 T C -0.528 174.064 174.700 -0.180 0.000 0.993 138 T CA -0.532 61.532 62.100 -0.060 0.000 0.970 138 T CB 1.184 69.893 68.868 -0.265 0.000 0.950 138 T HN 0.768 nan 8.240 nan 0.000 0.441 139 E N 2.849 122.884 120.200 -0.273 0.000 2.266 139 E HA 0.656 5.006 4.350 -0.000 0.000 0.268 139 E C -0.567 175.721 176.600 -0.521 0.000 0.879 139 E CA -0.853 55.336 56.400 -0.352 0.000 0.762 139 E CB 2.243 31.849 29.700 -0.156 0.000 1.199 139 E HN 0.618 nan 8.360 nan 0.000 0.422 140 M N -0.340 118.903 119.600 -0.595 0.000 2.446 140 M HA 0.612 5.092 4.480 -0.000 0.000 0.294 140 M C -1.205 174.832 176.300 -0.438 0.000 1.158 140 M CA -0.805 54.012 55.300 -0.805 0.000 0.899 140 M CB 2.190 33.981 32.600 -1.348 0.000 1.687 140 M HN 0.373 nan 8.290 nan 0.000 0.455 141 T N 0.446 114.791 114.554 -0.348 0.000 2.890 141 T HA 0.696 5.045 4.350 -0.000 0.000 0.295 141 T C -3.036 171.579 174.700 -0.142 0.000 0.993 141 T CA -1.378 60.660 62.100 -0.103 0.000 0.979 141 T CB 1.485 70.373 68.868 0.033 0.000 0.967 141 T HN 0.591 nan 8.240 nan 0.000 0.441 142 P HA 0.422 nan 4.420 nan 0.000 0.282 142 P C 0.031 177.378 177.300 0.078 0.000 1.259 142 P CA -0.263 62.831 63.100 -0.009 0.000 0.826 142 P CB 1.502 33.282 31.700 0.134 0.000 1.064 143 T N -2.721 111.887 114.554 0.090 0.000 2.819 143 T HA 0.304 4.654 4.350 -0.000 0.000 0.271 143 T C 1.225 176.016 174.700 0.153 0.000 0.986 143 T CA -0.419 61.745 62.100 0.107 0.000 0.989 143 T CB 0.374 69.289 68.868 0.078 0.000 1.396 143 T HN 0.307 nan 8.240 nan 0.000 0.597 144 E N 0.142 120.419 120.200 0.128 0.000 2.077 144 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 144 E C 2.025 178.725 176.600 0.167 0.000 0.989 144 E CA 1.057 57.541 56.400 0.141 0.000 0.800 144 E CB 0.005 29.756 29.700 0.085 0.000 0.746 144 E HN 0.454 nan 8.360 nan 0.000 0.452 145 R N -1.362 119.229 120.500 0.152 0.000 2.521 145 R HA 0.347 4.687 4.340 -0.000 0.000 0.289 145 R C -0.024 176.413 176.300 0.229 0.000 0.936 145 R CA -0.005 56.197 56.100 0.170 0.000 1.089 145 R CB 1.544 31.904 30.300 0.101 0.000 1.348 145 R HN -0.048 nan 8.270 nan 0.000 0.536 146 A N 0.460 123.403 122.820 0.205 0.000 2.475 146 A HA 0.828 5.148 4.320 -0.000 0.000 0.281 146 A C -1.372 176.263 177.584 0.085 0.000 1.263 146 A CA -0.644 51.503 52.037 0.183 0.000 0.776 146 A CB 2.119 21.186 19.000 0.112 0.000 1.347 146 A HN -0.061 nan 8.150 nan 0.000 0.443 147 V N -0.495 119.376 119.914 -0.071 0.000 3.098 147 V HA 0.581 4.701 4.120 -0.000 0.000 0.294 147 V C -2.165 173.753 176.094 -0.294 0.000 1.351 147 V CA -0.507 61.599 62.300 -0.324 0.000 0.999 147 V CB 1.921 33.188 31.823 -0.927 0.000 1.104 147 V HN 1.268 nan 8.190 nan 0.000 0.438 148 L N 5.797 126.829 121.223 -0.318 0.000 2.296 148 L HA 0.723 5.063 4.340 -0.000 0.000 0.286 148 L C -1.161 175.440 176.870 -0.448 0.000 1.023 148 L CA 0.234 54.921 54.840 -0.255 0.000 0.812 148 L CB 1.171 43.136 42.059 -0.157 0.000 1.223 148 L HN 0.576 nan 8.230 nan 0.000 0.421 149 F N 4.392 124.103 119.950 -0.398 0.000 2.404 149 F HA 0.577 5.104 4.527 -0.000 0.000 0.339 149 F C 0.393 175.833 175.800 -0.600 0.000 1.105 149 F CA -0.292 57.348 58.000 -0.600 0.000 1.087 149 F CB 1.274 39.786 39.000 -0.813 0.000 1.143 149 F HN 0.404 nan 8.300 nan 0.000 0.491 150 R N 4.045 124.269 120.500 -0.459 0.000 2.409 150 R HA 0.470 4.810 4.340 -0.000 0.000 0.313 150 R C -1.864 174.194 176.300 -0.403 0.000 0.953 150 R CA -0.509 55.396 56.100 -0.325 0.000 0.849 150 R CB 0.635 30.856 30.300 -0.131 0.000 1.171 150 R HN 0.526 nan 8.270 nan 0.000 0.458 151 F N 2.252 122.260 119.950 0.097 0.000 2.405 151 F HA 0.305 4.832 4.527 -0.000 0.000 0.355 151 F C 0.470 176.255 175.800 -0.026 0.000 1.121 151 F CA -0.713 57.261 58.000 -0.044 0.000 1.112 151 F CB 2.150 41.092 39.000 -0.096 0.000 1.126 151 F HN 0.260 nan 8.300 nan 0.000 0.481 152 T N 4.711 119.308 114.554 0.073 0.000 2.781 152 T HA 0.373 4.723 4.350 -0.000 0.000 0.305 152 T C -0.414 174.307 174.700 0.035 0.000 1.001 152 T CA -0.342 61.821 62.100 0.105 0.000 0.950 152 T CB -0.204 68.723 68.868 0.099 0.000 0.955 152 T HN 0.176 nan 8.240 nan 0.000 0.471 153 F N 5.069 125.113 119.950 0.157 0.000 2.377 153 F HA 0.434 4.961 4.527 -0.000 0.000 0.328 153 F C -1.547 174.317 175.800 0.105 0.000 1.094 153 F CA -2.200 55.879 58.000 0.131 0.000 1.093 153 F CB 0.924 39.988 39.000 0.107 0.000 1.214 153 F HN 0.325 nan 8.300 nan 0.000 0.518 154 P HA 0.056 nan 4.420 nan 0.000 0.282 154 P C -1.081 176.318 177.300 0.164 0.000 1.287 154 P CA -0.589 62.632 63.100 0.202 0.000 0.792 154 P CB 0.515 32.325 31.700 0.183 0.000 1.163 155 E N 0.941 121.204 120.200 0.105 0.000 2.351 155 E HA 0.105 4.454 4.350 -0.000 0.000 0.266 155 E C -0.470 176.158 176.600 0.046 0.000 1.031 155 E CA 0.082 56.518 56.400 0.059 0.000 0.911 155 E CB -0.126 29.599 29.700 0.042 0.000 0.986 155 E HN 0.292 nan 8.360 nan 0.000 0.446 156 N N 3.513 122.215 118.700 0.003 0.000 2.928 156 N HA 0.007 4.747 4.740 -0.000 0.000 0.247 156 N C -1.020 174.408 175.510 -0.137 0.000 1.141 156 N CA -0.437 52.594 53.050 -0.032 0.000 0.977 156 N CB 1.461 39.964 38.487 0.026 0.000 1.663 156 N HN 0.387 nan 8.380 nan 0.000 0.509 157 D N -0.210 120.038 120.400 -0.252 0.000 2.289 157 D HA 0.042 4.682 4.640 -0.000 0.000 0.207 157 D C -0.256 175.622 176.300 -0.703 0.000 0.966 157 D CA 1.221 54.931 54.000 -0.483 0.000 0.868 157 D CB 0.174 40.574 40.800 -0.666 0.000 0.943 157 D HN 0.382 nan 8.370 nan 0.000 0.514 158 H N 0.106 119.063 119.070 -0.188 0.000 2.530 158 H HA 0.428 4.983 4.556 -0.000 0.000 0.246 158 H C -0.412 174.576 175.328 -0.568 0.000 1.346 158 H CA -0.272 55.530 56.048 -0.410 0.000 1.424 158 H CB 0.368 30.063 29.762 -0.112 0.000 1.445 158 H HN -0.207 nan 8.280 nan 0.000 0.511 159 S N 2.090 117.392 115.700 -0.663 0.000 2.549 159 S HA 0.647 5.117 4.470 -0.000 0.000 0.297 159 S C -0.684 173.316 174.600 -0.999 0.000 1.115 159 S CA -0.505 57.356 58.200 -0.564 0.000 1.059 159 S CB 1.283 64.147 63.200 -0.560 0.000 1.046 159 S HN 0.389 nan 8.310 nan 0.000 0.506 160 Y N -0.357 119.788 120.300 -0.257 0.000 2.588 160 Y HA 0.590 5.140 4.550 -0.000 0.000 0.343 160 Y C -0.676 175.089 175.900 -0.225 0.000 1.065 160 Y CA -1.132 56.733 58.100 -0.391 0.000 1.038 160 Y CB 1.497 39.757 38.460 -0.333 0.000 1.297 160 Y HN 0.320 nan 8.280 nan 0.000 0.467 161 V N 2.637 122.468 119.914 -0.139 0.000 2.483 161 V HA 0.429 4.549 4.120 -0.000 0.000 0.297 161 V C -0.809 175.255 176.094 -0.050 0.000 1.027 161 V CA -0.929 61.309 62.300 -0.102 0.000 0.855 161 V CB 1.619 33.411 31.823 -0.053 0.000 0.995 161 V HN 0.537 nan 8.190 nan 0.000 0.424 162 V N 5.722 125.631 119.914 -0.009 0.000 2.432 162 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 162 V C 0.023 176.205 176.094 0.148 0.000 1.043 162 V CA -0.429 61.913 62.300 0.071 0.000 0.925 162 V CB 1.581 33.423 31.823 0.032 0.000 0.985 162 V HN 0.599 nan 8.190 nan 0.000 0.466 163 V N 3.922 123.970 119.914 0.224 0.000 2.417 163 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 163 V C -0.505 175.824 176.094 0.392 0.000 1.024 163 V CA -0.420 62.052 62.300 0.286 0.000 0.861 163 V CB 1.856 33.855 31.823 0.294 0.000 0.985 163 V HN 0.930 nan 8.190 nan 0.000 0.436 164 D N 3.750 124.401 120.400 0.418 0.000 2.469 164 D HA 0.523 5.163 4.640 -0.000 0.000 0.251 164 D C 0.415 177.083 176.300 0.613 0.000 1.173 164 D CA -0.368 53.982 54.000 0.583 0.000 0.882 164 D CB 2.085 43.136 40.800 0.418 0.000 1.129 164 D HN 0.552 nan 8.370 nan 0.000 0.549 165 A N 3.751 126.929 122.820 0.595 0.000 2.278 165 A HA 0.338 4.658 4.320 -0.000 0.000 0.212 165 A C 0.352 178.290 177.584 0.589 0.000 1.213 165 A CA -0.057 52.289 52.037 0.516 0.000 0.840 165 A CB -0.610 18.658 19.000 0.446 0.000 0.866 165 A HN 0.530 nan 8.150 nan 0.000 0.489 166 F N -0.663 119.436 119.950 0.248 0.000 2.183 166 F HA -0.176 4.351 4.527 -0.000 0.000 0.318 166 F C 0.472 176.096 175.800 -0.293 0.000 0.210 166 F CA 0.524 58.479 58.000 -0.074 0.000 0.912 166 F CB -0.908 38.109 39.000 0.029 0.000 4.135 166 F HN 0.585 nan 8.300 nan 0.000 0.137 167 D N 0.102 120.342 120.400 -0.267 0.000 2.589 167 D HA 0.447 5.087 4.640 -0.000 0.000 0.268 167 D C 0.074 176.400 176.300 0.043 0.000 1.182 167 D CA 0.099 53.986 54.000 -0.190 0.000 1.087 167 D CB 0.666 41.301 40.800 -0.276 0.000 1.186 167 D HN 0.483 nan 8.370 nan 0.000 0.620 168 K N -1.540 118.895 120.400 0.058 0.000 3.391 168 K HA -0.035 4.285 4.320 -0.000 0.000 0.307 168 K C 0.364 177.042 176.600 0.131 0.000 1.304 168 K CA 1.034 57.380 56.287 0.097 0.000 0.904 168 K CB -2.328 30.239 32.500 0.113 0.000 1.293 168 K HN 1.418 nan 8.250 nan 0.000 0.470 169 G N 0.256 109.137 108.800 0.136 0.000 3.017 169 G HA2 0.073 4.033 3.960 -0.000 0.000 0.680 169 G HA3 0.073 4.033 3.960 -0.000 0.000 0.680 169 G C -0.273 174.745 174.900 0.198 0.000 1.179 169 G CA -0.008 45.188 45.100 0.161 0.000 1.142 169 G HN 0.847 nan 8.290 nan 0.000 0.489 170 S N 1.003 116.790 115.700 0.146 0.000 2.720 170 S HA 0.896 5.366 4.470 -0.000 0.000 0.287 170 S C -1.005 173.517 174.600 -0.129 0.000 1.168 170 S CA -1.095 57.146 58.200 0.069 0.000 0.832 170 S CB 2.766 66.066 63.200 0.167 0.000 1.166 170 S HN 1.942 nan 8.310 nan 0.000 0.493 171 Y N -0.124 119.821 120.300 -0.592 0.000 2.492 171 Y HA 0.828 5.378 4.550 0.000 0.000 0.346 171 Y C -1.677 174.008 175.900 -0.359 0.000 0.997 171 Y CA -1.251 56.464 58.100 -0.642 0.000 1.025 171 Y CB 1.446 39.081 38.460 -1.375 0.000 1.263 171 Y HN 0.967 nan 8.280 nan 0.000 0.454 172 I N 4.902 124.918 120.570 -0.923 0.000 2.827 172 I HA 0.527 4.697 4.170 -0.000 0.000 0.298 172 I C -1.911 173.694 176.117 -0.853 0.000 1.235 172 I CA -0.520 60.331 61.300 -0.748 0.000 1.021 172 I CB 2.054 39.890 38.000 -0.273 0.000 1.259 172 I HN 0.678 nan 8.210 nan 0.000 0.427 173 K N 7.532 127.577 120.400 -0.592 0.000 2.615 173 K HA 0.561 4.881 4.320 -0.000 0.000 0.249 173 K C -1.932 174.570 176.600 -0.163 0.000 0.977 173 K CA -0.453 55.620 56.287 -0.357 0.000 0.833 173 K CB 1.190 33.498 32.500 -0.320 0.000 1.208 173 K HN 0.564 nan 8.250 nan 0.000 0.443 174 I N 5.786 126.301 120.570 -0.091 0.000 2.395 174 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 174 I C -0.032 176.121 176.117 0.060 0.000 1.023 174 I CA -0.623 60.685 61.300 0.014 0.000 1.350 174 I CB 1.024 39.013 38.000 -0.020 0.000 1.409 174 I HN 0.536 nan 8.210 nan 0.000 0.507 175 I N 8.482 129.135 120.570 0.139 0.000 2.697 175 I HA 0.221 4.391 4.170 -0.000 0.000 0.279 175 I C -1.815 174.380 176.117 0.131 0.000 1.171 175 I CA -1.424 59.933 61.300 0.095 0.000 1.135 175 I CB 0.909 38.938 38.000 0.048 0.000 1.445 175 I HN 0.357 nan 8.210 nan 0.000 0.541 176 P HA -0.198 nan 4.420 nan 0.000 0.219 176 P C 1.423 178.690 177.300 -0.056 0.000 1.146 176 P CA 1.085 64.238 63.100 0.088 0.000 0.808 176 P CB 0.099 31.880 31.700 0.136 0.000 0.779 177 E N 0.710 120.900 120.200 -0.018 0.000 2.333 177 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 177 E C 0.863 177.434 176.600 -0.048 0.000 1.007 177 E CA 1.284 57.663 56.400 -0.035 0.000 0.845 177 E CB -0.653 29.037 29.700 -0.016 0.000 0.766 177 E HN 0.376 nan 8.360 nan 0.000 0.507 178 E N 0.287 120.464 120.200 -0.039 0.000 2.548 178 E HA 0.104 4.454 4.350 -0.000 0.000 0.206 178 E C -0.524 176.048 176.600 -0.046 0.000 1.005 178 E CA -0.323 56.061 56.400 -0.025 0.000 0.951 178 E CB 0.275 29.981 29.700 0.011 0.000 1.035 178 E HN 0.084 nan 8.360 nan 0.000 0.470 179 N N 2.176 120.756 118.700 -0.200 0.000 2.714 179 N HA -0.219 4.521 4.740 -0.000 0.000 0.252 179 N C -0.722 174.867 175.510 0.132 0.000 1.014 179 N CA 1.239 54.027 53.050 -0.437 0.000 0.735 179 N CB -0.920 37.422 38.487 -0.242 0.000 0.924 179 N HN 0.290 nan 8.380 nan 0.000 0.540 180 K N 0.327 120.915 120.400 0.313 0.000 2.468 180 K HA 0.601 4.921 4.320 -0.000 0.000 0.252 180 K C -1.058 175.791 176.600 0.414 0.000 0.932 180 K CA -0.636 55.880 56.287 0.382 0.000 0.794 180 K CB 1.466 34.070 32.500 0.174 0.000 1.241 180 K HN 0.076 nan 8.250 nan 0.000 0.428 181 I N 6.260 127.066 120.570 0.393 0.000 2.436 181 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 181 I C -0.057 176.159 176.117 0.167 0.000 1.010 181 I CA -1.015 60.440 61.300 0.257 0.000 1.098 181 I CB 1.641 39.837 38.000 0.327 0.000 1.266 181 I HN 0.616 nan 8.210 nan 0.000 0.434 182 I N 2.414 122.980 120.570 -0.006 0.000 3.067 182 I HA 1.074 5.244 4.170 -0.000 0.000 0.312 182 I C -0.123 175.776 176.117 -0.362 0.000 1.073 182 I CA -0.520 60.700 61.300 -0.132 0.000 1.016 182 I CB 2.388 40.215 38.000 -0.288 0.000 1.227 182 I HN 0.621 nan 8.210 nan 0.000 0.456 183 G N 1.648 110.091 108.800 -0.596 0.000 2.356 183 G HA2 0.495 4.455 3.960 -0.000 0.000 0.294 183 G HA3 0.495 4.455 3.960 -0.000 0.000 0.294 183 G C -2.157 172.240 174.900 -0.838 0.000 1.423 183 G CA -0.580 44.022 45.100 -0.830 0.000 0.806 183 G HN 1.064 nan 8.290 nan 0.000 0.527 184 Y N -1.615 118.481 120.300 -0.340 0.000 2.553 184 Y HA 0.877 5.427 4.550 0.000 0.000 0.347 184 Y C -0.285 175.621 175.900 0.010 0.000 1.019 184 Y CA -1.228 56.664 58.100 -0.346 0.000 1.032 184 Y CB 1.876 39.977 38.460 -0.597 0.000 1.284 184 Y HN 0.754 nan 8.280 nan 0.000 0.466 185 T N 0.221 114.952 114.554 0.295 0.000 2.887 185 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 185 T C 0.320 175.143 174.700 0.204 0.000 1.021 185 T CA 0.144 62.425 62.100 0.303 0.000 1.000 185 T CB 1.271 70.329 68.868 0.318 0.000 1.034 185 T HN 1.128 nan 8.240 nan 0.000 0.467 186 T N 0.858 115.577 114.554 0.276 0.000 2.986 186 T HA 0.288 4.638 4.350 -0.000 0.000 0.264 186 T C 0.799 175.783 174.700 0.473 0.000 0.964 186 T CA -0.393 61.907 62.100 0.333 0.000 0.895 186 T CB -0.135 68.888 68.868 0.258 0.000 1.163 186 T HN 0.653 nan 8.240 nan 0.000 0.517 187 R N 3.224 123.939 120.500 0.359 0.000 2.494 187 R HA 0.102 4.442 4.340 -0.000 0.000 0.291 187 R C -0.105 176.389 176.300 0.324 0.000 0.953 187 R CA 0.729 57.011 56.100 0.303 0.000 1.098 187 R CB 0.059 30.537 30.300 0.297 0.000 0.911 187 R HN 0.748 nan 8.270 nan 0.000 0.407 188 N N 1.275 120.107 118.700 0.219 0.000 2.972 188 N HA 0.141 4.881 4.740 -0.000 0.000 0.262 188 N C -1.132 174.421 175.510 0.071 0.000 1.478 188 N CA -0.966 52.166 53.050 0.137 0.000 0.841 188 N CB 1.685 40.136 38.487 -0.061 0.000 1.512 188 N HN 0.380 nan 8.380 nan 0.000 0.548 189 S N -1.104 114.611 115.700 0.024 0.000 2.664 189 S HA 0.505 4.975 4.470 -0.000 0.000 0.245 189 S C 0.507 175.079 174.600 -0.045 0.000 1.019 189 S CA 0.093 58.298 58.200 0.008 0.000 0.996 189 S CB -0.121 63.093 63.200 0.024 0.000 0.878 189 S HN 1.118 nan 8.310 nan 0.000 0.493 190 G N 0.462 109.209 108.800 -0.088 0.000 2.592 190 G HA2 0.367 4.327 3.960 -0.000 0.000 0.684 190 G HA3 0.367 4.327 3.960 -0.000 0.000 0.684 190 G C 0.375 175.157 174.900 -0.196 0.000 1.291 190 G CA -0.400 44.635 45.100 -0.109 0.000 0.891 190 G HN 1.204 nan 8.290 nan 0.000 0.544 191 G N -2.392 106.301 108.800 -0.178 0.000 2.221 191 G HA2 0.268 4.228 3.960 -0.000 0.000 0.265 191 G HA3 0.268 4.228 3.960 -0.000 0.000 0.265 191 G C 0.878 175.557 174.900 -0.368 0.000 1.041 191 G CA 1.566 46.518 45.100 -0.247 0.000 0.807 191 G HN 2.453 nan 8.290 nan 0.000 0.502 192 V N -3.559 116.177 119.914 -0.297 0.000 2.914 192 V HA 0.945 5.065 4.120 -0.000 0.000 0.314 192 V C -1.883 174.165 176.094 -0.077 0.000 1.084 192 V CA -2.644 59.489 62.300 -0.278 0.000 0.963 192 V CB 1.821 33.393 31.823 -0.419 0.000 1.025 192 V HN 0.075 nan 8.190 nan 0.000 0.432 193 P HA 0.325 nan 4.420 nan 0.000 0.272 193 P C 0.605 177.996 177.300 0.152 0.000 1.240 193 P CA -0.277 62.878 63.100 0.091 0.000 0.791 193 P CB 0.494 32.264 31.700 0.117 0.000 0.978 194 E N 0.943 121.214 120.200 0.118 0.000 2.267 194 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 194 E C 0.884 177.562 176.600 0.129 0.000 0.998 194 E CA 1.059 57.526 56.400 0.110 0.000 0.830 194 E CB -0.354 29.393 29.700 0.078 0.000 0.751 194 E HN 0.489 nan 8.360 nan 0.000 0.491 195 N N 0.708 119.505 118.700 0.161 0.000 2.268 195 N HA -0.085 4.655 4.740 -0.000 0.000 0.204 195 N C -0.125 175.453 175.510 0.114 0.000 1.124 195 N CA -0.331 52.794 53.050 0.125 0.000 0.838 195 N CB -0.489 38.082 38.487 0.139 0.000 0.994 195 N HN 0.003 nan 8.380 nan 0.000 0.489 196 F N 2.495 122.481 119.950 0.060 0.000 2.578 196 F HA 0.216 4.743 4.527 -0.000 0.000 0.381 196 F C -0.086 175.619 175.800 -0.158 0.000 1.069 196 F CA 0.083 58.077 58.000 -0.009 0.000 1.231 196 F CB 0.401 39.451 39.000 0.083 0.000 1.086 196 F HN -0.058 nan 8.300 nan 0.000 0.564 197 K N 5.260 124.931 120.400 -1.216 0.000 2.523 197 K HA 0.186 4.506 4.320 -0.000 0.000 0.257 197 K C -1.376 174.478 176.600 -1.243 0.000 0.932 197 K CA -1.058 54.461 56.287 -1.281 0.000 0.812 197 K CB 1.897 33.513 32.500 -1.473 0.000 1.326 197 K HN 0.613 nan 8.250 nan 0.000 0.433 198 N N 2.697 120.886 118.700 -0.852 0.000 2.437 198 N HA 0.196 4.936 4.740 -0.000 0.000 0.259 198 N C -1.292 173.957 175.510 -0.435 0.000 0.983 198 N CA -0.326 52.392 53.050 -0.553 0.000 0.937 198 N CB 0.579 38.926 38.487 -0.234 0.000 1.122 198 N HN 0.425 nan 8.380 nan 0.000 0.499 199 Y N 4.089 124.142 120.300 -0.413 0.000 2.336 199 Y HA 0.269 4.819 4.550 -0.000 0.000 0.335 199 Y C 0.184 175.953 175.900 -0.218 0.000 1.046 199 Y CA -0.579 57.211 58.100 -0.516 0.000 1.198 199 Y CB 0.370 38.319 38.460 -0.853 0.000 1.182 199 Y HN 0.325 nan 8.280 nan 0.000 0.502 200 F N 1.414 121.357 119.950 -0.013 0.000 2.593 200 F HA 0.927 5.454 4.527 -0.000 0.000 0.320 200 F C -1.347 174.553 175.800 0.167 0.000 1.060 200 F CA -1.928 56.061 58.000 -0.019 0.000 0.940 200 F CB 1.344 40.033 39.000 -0.518 0.000 1.268 200 F HN 0.183 nan 8.300 nan 0.000 0.475 201 I N 2.570 123.371 120.570 0.386 0.000 2.656 201 I HA 0.482 4.652 4.170 -0.000 0.000 0.292 201 I C -1.283 175.007 176.117 0.289 0.000 1.144 201 I CA -0.746 60.724 61.300 0.284 0.000 1.038 201 I CB 2.572 40.702 38.000 0.216 0.000 1.244 201 I HN 0.583 nan 8.210 nan 0.000 0.420 202 I N 4.777 125.488 120.570 0.235 0.000 2.512 202 I HA 0.338 4.508 4.170 -0.000 0.000 0.287 202 I C -0.872 175.278 176.117 0.055 0.000 1.069 202 I CA -0.462 60.913 61.300 0.124 0.000 1.056 202 I CB 2.065 40.161 38.000 0.161 0.000 1.229 202 I HN 0.519 nan 8.210 nan 0.000 0.429 203 E N 5.847 126.020 120.200 -0.045 0.000 2.158 203 E HA 0.549 4.899 4.350 -0.000 0.000 0.271 203 E C -1.385 175.160 176.600 -0.093 0.000 0.911 203 E CA -0.610 55.802 56.400 0.021 0.000 0.767 203 E CB 2.136 31.868 29.700 0.054 0.000 1.120 203 E HN 0.264 nan 8.360 nan 0.000 0.405 204 F N 1.679 121.768 119.950 0.232 0.000 2.432 204 F HA 0.156 4.683 4.527 0.000 0.000 0.329 204 F C 1.322 177.200 175.800 0.131 0.000 1.076 204 F CA -0.697 57.456 58.000 0.255 0.000 1.018 204 F CB 1.062 40.330 39.000 0.447 0.000 1.201 204 F HN 0.481 nan 8.300 nan 0.000 0.489 205 D N 0.085 120.664 120.400 0.298 0.000 2.363 205 D HA 0.029 4.669 4.640 -0.000 0.000 0.214 205 D C -0.039 176.314 176.300 0.090 0.000 1.093 205 D CA 0.064 54.150 54.000 0.143 0.000 0.837 205 D CB 0.115 40.973 40.800 0.097 0.000 0.948 205 D HN 0.394 nan 8.370 nan 0.000 0.507 206 K N 0.944 121.417 120.400 0.122 0.000 2.397 206 K HA 0.441 4.761 4.320 -0.000 0.000 0.253 206 K C -2.955 173.670 176.600 0.042 0.000 0.932 206 K CA -2.129 54.145 56.287 -0.021 0.000 0.795 206 K CB 2.195 34.522 32.500 -0.289 0.000 1.159 206 K HN -0.237 nan 8.250 nan 0.000 0.424 207 P HA 0.081 nan 4.420 nan 0.000 0.271 207 P C -0.825 176.575 177.300 0.166 0.000 1.216 207 P CA -0.150 62.903 63.100 -0.079 0.000 0.776 207 P CB 0.188 31.855 31.700 -0.056 0.000 0.881 208 F N 0.476 120.509 119.950 0.139 0.000 2.484 208 F HA 0.160 4.687 4.527 -0.000 0.000 0.360 208 F C 1.922 177.764 175.800 0.070 0.000 1.101 208 F CA 0.092 58.144 58.000 0.086 0.000 1.251 208 F CB -0.637 38.352 39.000 -0.018 0.000 1.132 208 F HN 0.224 nan 8.300 nan 0.000 0.570 209 T N 1.348 116.063 114.554 0.268 0.000 2.990 209 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 209 T C -1.025 173.779 174.700 0.173 0.000 1.041 209 T CA 0.359 62.562 62.100 0.172 0.000 1.010 209 T CB -0.214 68.740 68.868 0.143 0.000 1.003 209 T HN 0.460 nan 8.240 nan 0.000 0.499 210 Y N 2.469 122.767 120.300 -0.002 0.000 2.457 210 Y HA 0.550 5.100 4.550 -0.000 0.000 0.343 210 Y C -1.637 174.205 175.900 -0.097 0.000 0.994 210 Y CA -1.367 56.720 58.100 -0.021 0.000 1.031 210 Y CB 1.110 39.586 38.460 0.028 0.000 1.246 210 Y HN -0.031 nan 8.280 nan 0.000 0.449 211 K N 4.330 124.368 120.400 -0.603 0.000 2.525 211 K HA 0.977 5.297 4.320 -0.000 0.000 0.254 211 K C -2.024 174.209 176.600 -0.612 0.000 0.934 211 K CA -1.073 54.927 56.287 -0.478 0.000 0.802 211 K CB 2.254 34.612 32.500 -0.238 0.000 1.295 211 K HN 0.773 nan 8.250 nan 0.000 0.433 212 A N 1.293 123.876 122.820 -0.394 0.000 2.517 212 A HA 0.659 4.979 4.320 -0.000 0.000 0.297 212 A C -0.632 176.833 177.584 -0.198 0.000 1.050 212 A CA -0.700 51.160 52.037 -0.294 0.000 0.694 212 A CB 1.464 20.322 19.000 -0.236 0.000 1.277 212 A HN 0.834 nan 8.150 nan 0.000 0.400 213 T N -1.083 113.359 114.554 -0.187 0.000 2.912 213 T HA 0.766 5.116 4.350 -0.000 0.000 0.280 213 T C -0.253 174.308 174.700 -0.231 0.000 0.989 213 T CA -0.669 61.316 62.100 -0.192 0.000 0.995 213 T CB 1.351 70.114 68.868 -0.176 0.000 1.077 213 T HN 0.991 nan 8.240 nan 0.000 0.531 214 V N 1.408 121.134 119.914 -0.313 0.000 2.656 214 V HA 0.638 4.758 4.120 -0.000 0.000 0.307 214 V C -0.476 175.396 176.094 -0.370 0.000 1.051 214 V CA -0.767 61.267 62.300 -0.444 0.000 0.893 214 V CB 1.590 32.864 31.823 -0.915 0.000 0.999 214 V HN 1.060 nan 8.190 nan 0.000 0.426 215 E N 4.451 124.481 120.200 -0.283 0.000 2.283 215 E HA 0.283 4.633 4.350 -0.000 0.000 0.258 215 E C -0.340 176.171 176.600 -0.148 0.000 0.893 215 E CA -0.529 55.765 56.400 -0.175 0.000 0.798 215 E CB 1.032 30.664 29.700 -0.113 0.000 1.242 215 E HN 0.833 nan 8.360 nan 0.000 0.414 216 N N 3.608 122.241 118.700 -0.113 0.000 2.686 216 N HA -0.293 4.447 4.740 -0.000 0.000 0.261 216 N C 0.732 176.191 175.510 -0.086 0.000 1.001 216 N CA 0.558 53.577 53.050 -0.052 0.000 0.764 216 N CB -0.921 37.565 38.487 -0.001 0.000 0.898 216 N HN 0.939 nan 8.380 nan 0.000 0.544 217 G N -0.471 108.226 108.800 -0.173 0.000 2.234 217 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 217 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 217 G C -0.030 174.798 174.900 -0.120 0.000 0.987 217 G CA 0.212 45.251 45.100 -0.103 0.000 0.625 217 G HN 0.568 nan 8.290 nan 0.000 0.532 218 N N 0.697 119.307 118.700 -0.149 0.000 2.426 218 N HA 0.390 5.130 4.740 -0.000 0.000 0.257 218 N C -0.381 175.034 175.510 -0.158 0.000 1.002 218 N CA -0.522 52.455 53.050 -0.123 0.000 0.942 218 N CB 1.219 39.652 38.487 -0.090 0.000 1.112 218 N HN 0.164 nan 8.380 nan 0.000 0.499 219 L N 3.433 124.581 121.223 -0.126 0.000 2.500 219 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 219 L C 0.022 176.828 176.870 -0.107 0.000 1.149 219 L CA 0.670 55.437 54.840 -0.120 0.000 0.897 219 L CB -0.044 41.971 42.059 -0.073 0.000 1.178 219 L HN 0.436 nan 8.230 nan 0.000 0.473 220 Q N 4.265 123.987 119.800 -0.130 0.000 2.523 220 Q HA 0.219 4.559 4.340 -0.000 0.000 0.251 220 Q C -0.597 175.314 176.000 -0.149 0.000 1.033 220 Q CA -0.357 55.373 55.803 -0.120 0.000 0.746 220 Q CB 1.246 29.916 28.738 -0.113 0.000 1.189 220 Q HN 0.582 nan 8.270 nan 0.000 0.508 221 E N 2.706 122.812 120.200 -0.156 0.000 2.415 221 E HA -0.098 4.252 4.350 -0.000 0.000 0.263 221 E C -0.056 176.427 176.600 -0.194 0.000 0.995 221 E CA 0.317 56.573 56.400 -0.239 0.000 0.915 221 E CB 0.290 29.852 29.700 -0.231 0.000 0.951 221 E HN 0.498 nan 8.360 nan 0.000 0.449 222 N N 1.640 120.206 118.700 -0.224 0.000 2.828 222 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 222 N C -1.041 174.402 175.510 -0.111 0.000 1.044 222 N CA 0.933 53.891 53.050 -0.153 0.000 0.851 222 N CB -1.314 37.100 38.487 -0.122 0.000 1.136 222 N HN 0.219 nan 8.380 nan 0.000 0.572 223 V N 0.998 120.841 119.914 -0.118 0.000 2.408 223 V HA 0.421 4.541 4.120 -0.000 0.000 0.267 223 V C 1.665 177.698 176.094 -0.101 0.000 1.047 223 V CA 0.426 62.669 62.300 -0.095 0.000 0.937 223 V CB 1.269 33.037 31.823 -0.092 0.000 0.999 223 V HN 0.360 nan 8.190 nan 0.000 0.472 224 A N 4.219 126.992 122.820 -0.079 0.000 2.014 224 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 224 A C 0.914 178.437 177.584 -0.100 0.000 1.163 224 A CA 0.798 52.790 52.037 -0.076 0.000 0.652 224 A CB 0.054 19.026 19.000 -0.046 0.000 0.808 224 A HN 0.776 nan 8.150 nan 0.000 0.449 225 E N -0.152 119.992 120.200 -0.094 0.000 2.304 225 E HA 0.366 4.716 4.350 -0.000 0.000 0.277 225 E C -1.591 174.957 176.600 -0.087 0.000 0.898 225 E CA -0.593 55.742 56.400 -0.108 0.000 0.764 225 E CB 0.996 30.681 29.700 -0.024 0.000 1.216 225 E HN 0.258 nan 8.360 nan 0.000 0.419 226 Q N 1.783 121.501 119.800 -0.138 0.000 2.356 226 Q HA 0.427 4.767 4.340 -0.000 0.000 0.270 226 Q C -1.213 174.808 176.000 0.034 0.000 1.058 226 Q CA -0.675 55.089 55.803 -0.064 0.000 0.802 226 Q CB 2.435 31.111 28.738 -0.104 0.000 1.303 226 Q HN 0.464 nan 8.270 nan 0.000 0.444 227 T N 1.559 116.173 114.554 0.101 0.000 2.892 227 T HA 0.587 4.937 4.350 -0.000 0.000 0.311 227 T C -0.384 174.363 174.700 0.080 0.000 1.033 227 T CA -0.348 61.838 62.100 0.143 0.000 0.991 227 T CB 1.199 70.166 68.868 0.164 0.000 0.981 227 T HN 0.567 nan 8.240 nan 0.000 0.457 228 T N 0.986 115.582 114.554 0.069 0.000 2.718 228 T HA 0.269 4.619 4.350 -0.000 0.000 0.306 228 T C 0.387 175.141 174.700 0.090 0.000 1.485 228 T CA -0.416 61.722 62.100 0.063 0.000 0.997 228 T CB 1.786 70.672 68.868 0.030 0.000 1.504 228 T HN 0.446 nan 8.240 nan 0.000 0.497 229 D N 0.120 120.576 120.400 0.094 0.000 2.123 229 D HA -0.086 4.554 4.640 -0.000 0.000 0.196 229 D C 0.668 177.068 176.300 0.167 0.000 0.992 229 D CA 1.608 55.677 54.000 0.115 0.000 0.833 229 D CB 0.022 40.882 40.800 0.099 0.000 0.954 229 D HN 0.554 nan 8.370 nan 0.000 0.455 230 H N -0.779 118.322 119.070 0.052 0.000 2.716 230 H HA 0.578 5.134 4.556 -0.000 0.000 0.260 230 H C -1.248 174.084 175.328 0.007 0.000 1.280 230 H CA -0.904 55.188 56.048 0.073 0.000 1.506 230 H CB 0.588 30.401 29.762 0.085 0.000 1.514 230 H HN 0.145 nan 8.280 nan 0.000 0.502 231 A N 3.133 126.094 122.820 0.237 0.000 2.316 231 A HA 0.697 5.017 4.320 -0.000 0.000 0.284 231 A C 0.321 177.928 177.584 0.039 0.000 1.115 231 A CA 0.227 52.284 52.037 0.033 0.000 0.812 231 A CB 0.890 19.881 19.000 -0.014 0.000 1.064 231 A HN 0.736 nan 8.150 nan 0.000 0.489 232 G N -1.093 107.581 108.800 -0.209 0.000 2.684 232 G HA2 0.794 4.754 3.960 -0.000 0.000 0.290 232 G HA3 0.794 4.754 3.960 -0.000 0.000 0.290 232 G C -0.967 173.837 174.900 -0.159 0.000 1.425 232 G CA 0.071 45.071 45.100 -0.166 0.000 0.822 232 G HN 1.693 nan 8.290 nan 0.000 0.482 233 A N -0.393 122.424 122.820 -0.006 0.000 2.498 233 A HA 0.867 5.187 4.320 -0.000 0.000 0.298 233 A C -1.227 176.361 177.584 0.006 0.000 1.075 233 A CA -0.613 51.394 52.037 -0.050 0.000 0.714 233 A CB 1.390 20.365 19.000 -0.041 0.000 1.299 233 A HN 0.753 nan 8.150 nan 0.000 0.407 234 I N 2.142 122.684 120.570 -0.048 0.000 2.478 234 I HA 0.385 4.555 4.170 -0.000 0.000 0.287 234 I C -0.939 175.135 176.117 -0.071 0.000 1.042 234 I CA -0.518 60.767 61.300 -0.025 0.000 1.067 234 I CB 1.736 39.744 38.000 0.013 0.000 1.233 234 I HN 0.693 nan 8.210 nan 0.000 0.431 235 I N 2.979 123.389 120.570 -0.266 0.000 2.863 235 I HA 1.064 5.234 4.170 -0.000 0.000 0.311 235 I C 0.197 176.041 176.117 -0.455 0.000 1.026 235 I CA -0.361 60.646 61.300 -0.488 0.000 1.077 235 I CB 1.945 39.160 38.000 -1.309 0.000 1.262 235 I HN 0.534 nan 8.210 nan 0.000 0.461 236 G N 2.019 110.497 108.800 -0.536 0.000 2.677 236 G HA2 0.809 4.769 3.960 -0.000 0.000 0.291 236 G HA3 0.809 4.769 3.960 -0.000 0.000 0.291 236 G C -1.447 172.917 174.900 -0.894 0.000 1.435 236 G CA -0.815 43.733 45.100 -0.919 0.000 0.826 236 G HN 0.921 nan 8.290 nan 0.000 0.491 237 F N -2.099 117.647 119.950 -0.339 0.000 2.926 237 F HA 0.685 5.212 4.527 -0.000 0.000 0.321 237 F C -0.705 174.887 175.800 -0.347 0.000 1.168 237 F CA -1.553 56.301 58.000 -0.242 0.000 0.890 237 F CB 1.545 40.442 39.000 -0.171 0.000 1.357 237 F HN 0.412 nan 8.300 nan 0.000 0.468 238 K N 1.414 121.845 120.400 0.051 0.000 2.130 238 K HA 0.632 4.952 4.320 -0.000 0.000 0.268 238 K C -1.041 175.495 176.600 -0.107 0.000 0.983 238 K CA -0.077 56.158 56.287 -0.086 0.000 0.893 238 K CB 1.918 34.363 32.500 -0.092 0.000 1.066 238 K HN 0.880 nan 8.250 nan 0.000 0.450 239 T N 0.440 114.922 114.554 -0.121 0.000 2.893 239 T HA 0.530 4.880 4.350 -0.000 0.000 0.293 239 T C -0.065 174.615 174.700 -0.034 0.000 1.027 239 T CA -1.118 60.919 62.100 -0.105 0.000 0.988 239 T CB 1.585 70.390 68.868 -0.106 0.000 1.043 239 T HN 0.665 nan 8.240 nan 0.000 0.461 240 R N 1.222 121.712 120.500 -0.016 0.000 2.541 240 R HA 0.511 4.851 4.340 -0.000 0.000 0.263 240 R C -0.008 176.321 176.300 0.048 0.000 1.112 240 R CA -1.166 54.939 56.100 0.009 0.000 1.170 240 R CB 0.684 30.985 30.300 0.001 0.000 1.167 240 R HN 0.676 nan 8.270 nan 0.000 0.582 241 K N 0.291 120.721 120.400 0.050 0.000 2.472 241 K HA 0.032 4.352 4.320 -0.000 0.000 0.280 241 K C 0.394 177.040 176.600 0.077 0.000 1.028 241 K CA 1.274 57.603 56.287 0.070 0.000 1.045 241 K CB -0.016 32.516 32.500 0.054 0.000 0.902 241 K HN 0.877 nan 8.250 nan 0.000 0.478 242 G N 2.915 111.780 108.800 0.108 0.000 2.155 242 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 242 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 242 G C -0.043 174.923 174.900 0.110 0.000 0.983 242 G CA 0.561 45.724 45.100 0.104 0.000 0.676 242 G HN 0.756 nan 8.290 nan 0.000 0.528 243 E N 0.389 120.665 120.200 0.126 0.000 2.384 243 E HA 0.372 4.722 4.350 -0.000 0.000 0.266 243 E C 0.471 177.177 176.600 0.177 0.000 1.012 243 E CA -0.075 56.390 56.400 0.108 0.000 0.901 243 E CB 0.251 29.984 29.700 0.055 0.000 0.967 243 E HN 0.525 nan 8.360 nan 0.000 0.435 244 Q N 2.210 122.087 119.800 0.129 0.000 2.256 244 Q HA 0.459 4.799 4.340 -0.000 0.000 0.257 244 Q C -1.232 174.872 176.000 0.172 0.000 0.936 244 Q CA -0.834 55.066 55.803 0.162 0.000 0.903 244 Q CB 2.290 31.085 28.738 0.096 0.000 1.263 244 Q HN 0.320 nan 8.270 nan 0.000 0.440 245 V N 3.164 123.254 119.914 0.294 0.000 2.531 245 V HA 0.358 4.478 4.120 -0.000 0.000 0.301 245 V C -0.638 175.659 176.094 0.338 0.000 1.034 245 V CA -0.944 61.549 62.300 0.322 0.000 0.865 245 V CB 1.928 34.024 31.823 0.455 0.000 0.995 245 V HN 0.766 nan 8.190 nan 0.000 0.424 246 N N 2.952 121.797 118.700 0.243 0.000 2.405 246 N HA 0.759 5.499 4.740 -0.000 0.000 0.299 246 N C -0.554 175.055 175.510 0.166 0.000 1.075 246 N CA -0.318 52.812 53.050 0.133 0.000 0.884 246 N CB 2.545 41.065 38.487 0.055 0.000 1.194 246 N HN 0.794 nan 8.380 nan 0.000 0.491 247 A N 2.415 125.257 122.820 0.037 0.000 2.332 247 A HA 0.473 4.793 4.320 -0.000 0.000 0.300 247 A C -0.293 177.236 177.584 -0.091 0.000 1.153 247 A CA -0.735 51.206 52.037 -0.160 0.000 0.764 247 A CB 0.816 19.673 19.000 -0.238 0.000 1.174 247 A HN 0.583 nan 8.150 nan 0.000 0.467 248 R N 1.810 122.255 120.500 -0.093 0.000 2.254 248 R HA 0.648 4.988 4.340 -0.000 0.000 0.318 248 R C -0.908 175.395 176.300 0.005 0.000 1.031 248 R CA 0.066 56.147 56.100 -0.032 0.000 0.905 248 R CB 1.053 31.349 30.300 -0.006 0.000 1.050 248 R HN 0.667 nan 8.270 nan 0.000 0.456 249 I N 1.662 122.262 120.570 0.050 0.000 2.582 249 I HA 0.636 4.806 4.170 -0.000 0.000 0.292 249 I C -0.537 175.714 176.117 0.222 0.000 1.066 249 I CA -0.872 60.529 61.300 0.168 0.000 1.053 249 I CB 2.229 40.359 38.000 0.217 0.000 1.241 249 I HN 0.657 nan 8.210 nan 0.000 0.421 250 A N 3.775 126.775 122.820 0.300 0.000 2.587 250 A HA 0.903 5.223 4.320 -0.000 0.000 0.293 250 A C -0.791 177.001 177.584 0.348 0.000 1.087 250 A CA -0.483 51.734 52.037 0.300 0.000 0.692 250 A CB 2.118 21.232 19.000 0.189 0.000 1.291 250 A HN 0.738 nan 8.150 nan 0.000 0.407 251 S N -0.132 115.743 115.700 0.291 0.000 2.661 251 S HA 0.911 5.381 4.470 -0.000 0.000 0.285 251 S C -0.470 174.130 174.600 0.000 0.000 1.138 251 S CA -0.028 58.286 58.200 0.191 0.000 0.855 251 S CB 1.638 65.000 63.200 0.269 0.000 1.136 251 S HN 2.106 nan 8.310 nan 0.000 0.484 252 S N -0.555 115.069 115.700 -0.126 0.000 2.588 252 S HA 0.674 5.144 4.470 -0.000 0.000 0.275 252 S C -1.163 173.220 174.600 -0.362 0.000 1.130 252 S CA -0.762 57.318 58.200 -0.201 0.000 0.855 252 S CB 0.830 63.980 63.200 -0.082 0.000 1.116 252 S HN 0.637 nan 8.310 nan 0.000 0.472 253 F N 2.070 121.961 119.950 -0.098 0.000 2.693 253 F HA 0.457 4.984 4.527 -0.000 0.000 0.303 253 F C 1.089 176.788 175.800 -0.168 0.000 1.097 253 F CA -0.013 57.861 58.000 -0.210 0.000 1.330 253 F CB 0.144 38.972 39.000 -0.286 0.000 1.067 253 F HN 0.410 nan 8.300 nan 0.000 0.565 254 I N -1.679 118.909 120.570 0.031 0.000 3.345 254 I HA 0.095 4.265 4.170 -0.000 0.000 0.258 254 I C 0.610 176.532 176.117 -0.326 0.000 1.134 254 I CA 0.313 61.597 61.300 -0.027 0.000 1.457 254 I CB 0.330 38.339 38.000 0.014 0.000 1.425 254 I HN -0.006 nan 8.210 nan 0.000 0.461 255 S N -1.720 113.636 115.700 -0.573 0.000 2.611 255 S HA 0.333 4.803 4.470 -0.000 0.000 0.268 255 S C 0.037 174.162 174.600 -0.793 0.000 1.156 255 S CA -0.677 56.899 58.200 -1.040 0.000 0.817 255 S CB 0.722 63.633 63.200 -0.481 0.000 1.122 255 S HN 0.012 nan 8.310 nan 0.000 0.466 256 F N 1.622 121.195 119.950 -0.629 0.000 2.134 256 F HA 0.022 4.549 4.527 -0.000 0.000 0.299 256 F C 2.724 178.440 175.800 -0.140 0.000 1.097 256 F CA 1.949 59.811 58.000 -0.230 0.000 1.264 256 F CB -0.429 38.502 39.000 -0.115 0.000 1.001 256 F HN 0.959 nan 8.300 nan 0.000 0.479 257 E N 0.057 120.279 120.200 0.037 0.000 2.077 257 E HA -0.322 4.028 4.350 -0.000 0.000 0.193 257 E C 2.166 178.765 176.600 -0.002 0.000 0.989 257 E CA 1.430 57.840 56.400 0.016 0.000 0.800 257 E CB -0.242 29.453 29.700 -0.008 0.000 0.746 257 E HN 0.358 nan 8.360 nan 0.000 0.452 258 Q N 0.449 120.219 119.800 -0.050 0.000 2.167 258 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 258 Q C 1.851 177.851 176.000 0.000 0.000 0.970 258 Q CA 1.696 57.482 55.803 -0.028 0.000 0.855 258 Q CB -0.350 28.361 28.738 -0.046 0.000 0.911 258 Q HN 0.395 nan 8.270 nan 0.000 0.438 259 A N 0.316 123.137 122.820 0.002 0.000 1.902 259 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 259 A C 2.307 179.946 177.584 0.091 0.000 1.181 259 A CA 1.719 53.794 52.037 0.063 0.000 0.623 259 A CB -1.199 17.870 19.000 0.114 0.000 0.818 259 A HN 0.525 nan 8.150 nan 0.000 0.443 260 A N -0.097 122.777 122.820 0.090 0.000 1.940 260 A HA 0.111 4.431 4.320 -0.000 0.000 0.219 260 A C 2.487 180.107 177.584 0.061 0.000 1.176 260 A CA 2.192 54.276 52.037 0.079 0.000 0.631 260 A CB -0.979 18.060 19.000 0.066 0.000 0.814 260 A HN 1.077 nan 8.150 nan 0.000 0.446 261 A N 0.215 123.064 122.820 0.049 0.000 1.930 261 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 261 A C 1.847 179.462 177.584 0.053 0.000 1.175 261 A CA 1.724 53.788 52.037 0.045 0.000 0.627 261 A CB -0.598 18.424 19.000 0.036 0.000 0.815 261 A HN 0.541 nan 8.150 nan 0.000 0.443 262 N N -0.802 117.933 118.700 0.059 0.000 2.289 262 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 262 N C 1.473 177.029 175.510 0.077 0.000 1.016 262 N CA 1.574 54.664 53.050 0.068 0.000 0.872 262 N CB -0.475 38.055 38.487 0.072 0.000 0.973 262 N HN 0.507 nan 8.380 nan 0.000 0.433 263 M N 1.318 120.966 119.600 0.081 0.000 2.195 263 M HA -0.114 4.366 4.480 -0.000 0.000 0.260 263 M C 0.993 177.327 176.300 0.058 0.000 1.066 263 M CA 1.520 56.866 55.300 0.077 0.000 1.089 263 M CB -0.542 32.104 32.600 0.078 0.000 1.377 263 M HN 0.143 nan 8.290 nan 0.000 0.411 264 N N -0.414 118.317 118.700 0.052 0.000 2.519 264 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 264 N C 1.252 176.787 175.510 0.043 0.000 1.062 264 N CA 0.941 54.017 53.050 0.043 0.000 0.910 264 N CB -0.148 38.364 38.487 0.041 0.000 0.958 264 N HN 0.560 nan 8.380 nan 0.000 0.445 265 E N 0.738 120.968 120.200 0.050 0.000 2.160 265 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 265 E C 1.570 178.194 176.600 0.040 0.000 0.991 265 E CA 0.824 57.254 56.400 0.050 0.000 0.810 265 E CB -0.033 29.704 29.700 0.061 0.000 0.742 265 E HN 0.464 nan 8.360 nan 0.000 0.466 266 L N -0.241 121.003 121.223 0.035 0.000 2.313 266 L HA 0.040 4.380 4.340 -0.000 0.000 0.214 266 L C 1.645 178.526 176.870 0.017 0.000 1.119 266 L CA 0.311 55.163 54.840 0.021 0.000 0.809 266 L CB -1.025 41.042 42.059 0.013 0.000 0.933 266 L HN 0.228 nan 8.230 nan 0.000 0.449 267 G N 0.821 109.635 108.800 0.022 0.000 2.602 267 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.306 267 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.306 267 G C 0.660 175.569 174.900 0.015 0.000 1.301 267 G CA 0.328 45.439 45.100 0.019 0.000 0.974 267 G HN 0.189 nan 8.290 nan 0.000 0.547 268 K N 1.571 121.977 120.400 0.011 0.000 2.440 268 K HA 0.193 4.513 4.320 -0.000 0.000 0.206 268 K C 0.216 176.817 176.600 0.002 0.000 1.025 268 K CA -0.043 56.248 56.287 0.008 0.000 1.135 268 K CB -0.179 32.326 32.500 0.008 0.000 0.856 268 K HN 0.488 nan 8.250 nan 0.000 0.502 269 D N 2.359 122.760 120.400 0.001 0.000 2.506 269 D HA -0.093 4.547 4.640 -0.000 0.000 0.234 269 D C 0.655 176.949 176.300 -0.010 0.000 1.143 269 D CA 0.584 54.581 54.000 -0.005 0.000 0.871 269 D CB 0.444 41.242 40.800 -0.004 0.000 1.190 269 D HN 0.261 nan 8.370 nan 0.000 0.459 270 N N 1.129 119.821 118.700 -0.013 0.000 2.476 270 N HA 0.122 4.862 4.740 -0.000 0.000 0.287 270 N C 1.050 176.547 175.510 -0.020 0.000 1.262 270 N CA -0.561 52.479 53.050 -0.017 0.000 0.980 270 N CB 0.546 39.025 38.487 -0.014 0.000 1.163 270 N HN 0.143 nan 8.380 nan 0.000 0.592 271 I N -0.301 120.256 120.570 -0.020 0.000 2.151 271 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 271 I C 1.718 177.829 176.117 -0.010 0.000 1.080 271 I CA 1.705 63.002 61.300 -0.005 0.000 1.339 271 I CB -1.135 36.876 38.000 0.019 0.000 1.039 271 I HN 0.582 nan 8.210 nan 0.000 0.409 272 E N 0.661 120.839 120.200 -0.037 0.000 2.077 272 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 272 E C 2.226 178.792 176.600 -0.055 0.000 0.989 272 E CA 1.091 57.450 56.400 -0.068 0.000 0.800 272 E CB -0.285 29.374 29.700 -0.069 0.000 0.746 272 E HN 0.525 nan 8.360 nan 0.000 0.452 273 Q N -0.178 119.600 119.800 -0.037 0.000 2.050 273 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 273 Q C 2.263 178.251 176.000 -0.021 0.000 0.980 273 Q CA 1.136 56.920 55.803 -0.031 0.000 0.840 273 Q CB -0.167 28.559 28.738 -0.021 0.000 0.898 273 Q HN 0.288 nan 8.270 nan 0.000 0.424 274 L N 0.074 121.294 121.223 -0.005 0.000 2.109 274 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 274 L C 2.519 179.419 176.870 0.050 0.000 1.086 274 L CA 0.723 55.574 54.840 0.018 0.000 0.760 274 L CB -0.566 41.502 42.059 0.015 0.000 0.910 274 L HN 0.194 nan 8.230 nan 0.000 0.437 275 A N -0.143 122.715 122.820 0.062 0.000 1.908 275 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 275 A C 2.238 179.768 177.584 -0.089 0.000 1.181 275 A CA 2.105 54.221 52.037 0.132 0.000 0.627 275 A CB -0.543 18.495 19.000 0.063 0.000 0.818 275 A HN 0.410 nan 8.150 nan 0.000 0.445 276 Q N -0.036 119.692 119.800 -0.120 0.000 2.079 276 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 276 Q C 1.918 177.838 176.000 -0.133 0.000 0.974 276 Q CA 2.164 57.862 55.803 -0.175 0.000 0.840 276 Q CB -0.261 28.406 28.738 -0.119 0.000 0.898 276 Q HN 0.677 nan 8.270 nan 0.000 0.430 277 K N -1.012 119.352 120.400 -0.060 0.000 2.097 277 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 277 K C 1.990 178.589 176.600 -0.002 0.000 1.050 277 K CA 1.103 57.375 56.287 -0.024 0.000 0.938 277 K CB -0.405 32.096 32.500 0.001 0.000 0.718 277 K HN 0.388 nan 8.250 nan 0.000 0.442 278 G N 1.633 110.458 108.800 0.042 0.000 2.402 278 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 278 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 278 G C 1.415 176.410 174.900 0.159 0.000 1.162 278 G CA 0.647 45.849 45.100 0.171 0.000 0.777 278 G HN 0.210 nan 8.290 nan 0.000 0.539 279 K N 0.291 120.543 120.400 -0.247 0.000 2.026 279 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 279 K C 2.028 178.576 176.600 -0.087 0.000 1.048 279 K CA 1.649 57.649 56.287 -0.479 0.000 0.929 279 K CB -0.149 31.744 32.500 -1.012 0.000 0.713 279 K HN 0.104 nan 8.250 nan 0.000 0.439 280 D N 0.383 120.733 120.400 -0.083 0.000 2.123 280 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 280 D C 1.782 178.107 176.300 0.042 0.000 0.992 280 D CA 1.455 55.451 54.000 -0.008 0.000 0.833 280 D CB -0.294 40.491 40.800 -0.025 0.000 0.954 280 D HN 0.374 nan 8.370 nan 0.000 0.455 281 A N 0.075 122.905 122.820 0.018 0.000 1.877 281 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 281 A C 2.225 179.757 177.584 -0.086 0.000 1.186 281 A CA 1.275 53.282 52.037 -0.051 0.000 0.620 281 A CB -1.223 17.702 19.000 -0.124 0.000 0.822 281 A HN 0.301 nan 8.150 nan 0.000 0.443 282 W N 0.116 121.456 121.300 0.067 0.000 2.355 282 W HA -0.140 4.520 4.660 -0.000 0.000 0.309 282 W C 2.277 178.868 176.519 0.120 0.000 1.206 282 W CA 1.498 58.896 57.345 0.088 0.000 1.284 282 W CB -0.491 29.047 29.460 0.130 0.000 1.145 282 W HN 0.439 nan 8.180 nan 0.000 0.502 283 N N -0.155 118.762 118.700 0.362 0.000 2.137 283 N HA -0.297 4.443 4.740 -0.000 0.000 0.190 283 N C 1.631 177.318 175.510 0.295 0.000 1.017 283 N CA 1.513 54.795 53.050 0.387 0.000 0.859 283 N CB -0.358 38.324 38.487 0.325 0.000 1.002 283 N HN 0.113 nan 8.380 nan 0.000 0.428 284 Q N 1.058 120.971 119.800 0.189 0.000 2.077 284 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 284 Q C 1.953 178.043 176.000 0.150 0.000 0.989 284 Q CA 2.027 57.913 55.803 0.138 0.000 0.853 284 Q CB -0.147 28.646 28.738 0.092 0.000 0.907 284 Q HN 0.428 nan 8.270 nan 0.000 0.418 285 V N -2.469 117.539 119.914 0.156 0.000 2.599 285 V HA -0.016 4.104 4.120 -0.000 0.000 0.245 285 V C 2.231 178.485 176.094 0.267 0.000 1.046 285 V CA 1.154 63.600 62.300 0.244 0.000 1.065 285 V CB -0.802 31.048 31.823 0.045 0.000 0.703 285 V HN 0.333 nan 8.190 nan 0.000 0.464 286 L N 1.719 123.088 121.223 0.243 0.000 2.042 286 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 286 L C 2.712 179.471 176.870 -0.186 0.000 1.076 286 L CA 1.859 56.818 54.840 0.198 0.000 0.749 286 L CB -1.211 41.019 42.059 0.286 0.000 0.893 286 L HN 0.528 nan 8.230 nan 0.000 0.432 287 G N -0.683 107.865 108.800 -0.419 0.000 2.708 287 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.210 287 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.210 287 G C 1.528 176.167 174.900 -0.434 0.000 1.141 287 G CA 0.061 44.480 45.100 -1.135 0.000 0.788 287 G HN 0.130 nan 8.290 nan 0.000 0.531 288 K N 0.035 120.357 120.400 -0.129 0.000 2.365 288 K HA 0.138 4.458 4.320 -0.000 0.000 0.199 288 K C 0.595 177.111 176.600 -0.140 0.000 1.045 288 K CA 0.349 56.616 56.287 -0.033 0.000 0.962 288 K CB 0.220 32.700 32.500 -0.034 0.000 0.759 288 K HN 0.366 nan 8.250 nan 0.000 0.469 289 I N 1.811 122.295 120.570 -0.144 0.000 2.448 289 I HA 0.158 4.328 4.170 -0.000 0.000 0.281 289 I C -0.752 175.278 176.117 -0.145 0.000 1.027 289 I CA -0.440 60.778 61.300 -0.137 0.000 1.111 289 I CB 1.684 39.709 38.000 0.043 0.000 1.236 289 I HN -0.150 nan 8.210 nan 0.000 0.452 290 E N 6.180 126.258 120.200 -0.203 0.000 2.109 290 E HA 0.428 4.778 4.350 -0.000 0.000 0.278 290 E C -0.660 175.835 176.600 -0.174 0.000 0.954 290 E CA -0.670 55.680 56.400 -0.084 0.000 0.779 290 E CB 2.449 32.183 29.700 0.057 0.000 1.093 290 E HN 0.442 nan 8.360 nan 0.000 0.401 291 V N 0.333 120.089 119.914 -0.263 0.000 2.581 291 V HA 0.601 4.721 4.120 -0.000 0.000 0.303 291 V C -0.342 175.549 176.094 -0.337 0.000 1.041 291 V CA -0.632 61.306 62.300 -0.603 0.000 0.907 291 V CB 1.616 32.473 31.823 -1.610 0.000 0.994 291 V HN 0.626 nan 8.190 nan 0.000 0.442 292 E N 2.100 122.196 120.200 -0.173 0.000 2.416 292 E HA 0.677 5.027 4.350 -0.000 0.000 0.273 292 E C 0.245 176.967 176.600 0.203 0.000 0.935 292 E CA -0.795 55.643 56.400 0.063 0.000 0.784 292 E CB 1.922 31.645 29.700 0.038 0.000 1.301 292 E HN 1.572 nan 8.360 nan 0.000 0.454 293 G N 0.439 109.393 108.800 0.257 0.000 2.333 293 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.296 293 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.296 293 G C 0.081 175.110 174.900 0.215 0.000 1.059 293 G CA 0.258 45.477 45.100 0.199 0.000 1.050 293 G HN 0.713 nan 8.290 nan 0.000 0.508 294 G N -0.443 108.467 108.800 0.184 0.000 3.022 294 G HA2 0.819 4.779 3.960 -0.000 0.000 0.284 294 G HA3 0.819 4.779 3.960 -0.000 0.000 0.284 294 G C -0.329 174.342 174.900 -0.382 0.000 1.375 294 G CA -0.082 44.980 45.100 -0.064 0.000 0.902 294 G HN 1.031 nan 8.290 nan 0.000 0.538 295 N N -1.459 116.989 118.700 -0.419 0.000 2.483 295 N HA 0.389 5.129 4.740 -0.000 0.000 0.285 295 N C 0.923 176.176 175.510 -0.429 0.000 1.210 295 N CA -0.892 51.966 53.050 -0.320 0.000 0.931 295 N CB 1.465 39.865 38.487 -0.143 0.000 1.220 295 N HN 0.331 nan 8.380 nan 0.000 0.542 296 L N -0.062 121.088 121.223 -0.122 0.000 2.079 296 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 296 L C 0.967 177.878 176.870 0.068 0.000 1.081 296 L CA 1.893 56.779 54.840 0.077 0.000 0.752 296 L CB -0.989 41.177 42.059 0.178 0.000 0.896 296 L HN 0.597 nan 8.230 nan 0.000 0.433 297 D N -0.730 119.679 120.400 0.014 0.000 2.123 297 D HA -0.221 4.419 4.640 -0.000 0.000 0.196 297 D C 2.181 178.513 176.300 0.053 0.000 0.992 297 D CA 1.458 55.478 54.000 0.032 0.000 0.833 297 D CB -0.059 40.742 40.800 0.002 0.000 0.954 297 D HN 0.552 nan 8.370 nan 0.000 0.455 298 Q N -0.818 118.980 119.800 -0.003 0.000 2.123 298 Q HA -0.126 4.214 4.340 -0.000 0.000 0.199 298 Q C 2.040 178.249 176.000 0.348 0.000 0.966 298 Q CA 0.723 56.595 55.803 0.115 0.000 0.845 298 Q CB -0.124 28.559 28.738 -0.092 0.000 0.907 298 Q HN 0.379 nan 8.270 nan 0.000 0.439 299 Y N 0.897 121.325 120.300 0.213 0.000 2.181 299 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 299 Y C 2.227 178.224 175.900 0.163 0.000 1.146 299 Y CA 1.002 59.101 58.100 -0.003 0.000 1.164 299 Y CB -0.355 37.737 38.460 -0.612 0.000 0.982 299 Y HN 0.028 nan 8.280 nan 0.000 0.515 300 R N -0.851 119.846 120.500 0.327 0.000 2.073 300 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 300 R C 2.211 178.637 176.300 0.211 0.000 1.120 300 R CA 1.784 58.073 56.100 0.315 0.000 0.967 300 R CB -0.754 29.687 30.300 0.236 0.000 0.862 300 R HN 0.234 nan 8.270 nan 0.000 0.436 301 T N 1.199 115.828 114.554 0.126 0.000 2.652 301 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 301 T C 1.437 176.127 174.700 -0.017 0.000 1.039 301 T CA 1.487 63.544 62.100 -0.072 0.000 1.153 301 T CB -0.403 68.311 68.868 -0.257 0.000 0.863 301 T HN 0.150 nan 8.240 nan 0.000 0.428 302 F N 0.866 120.892 119.950 0.126 0.000 2.069 302 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 302 F C 2.042 177.811 175.800 -0.051 0.000 1.113 302 F CA 1.374 59.464 58.000 0.149 0.000 1.214 302 F CB -0.429 38.618 39.000 0.079 0.000 0.978 302 F HN 0.146 nan 8.300 nan 0.000 0.474 303 Y N -0.367 120.138 120.300 0.342 0.000 2.395 303 Y HA -0.089 4.461 4.550 -0.000 0.000 0.293 303 Y C 2.717 178.705 175.900 0.147 0.000 1.123 303 Y CA 1.218 59.461 58.100 0.239 0.000 1.227 303 Y CB -1.033 37.654 38.460 0.380 0.000 1.012 303 Y HN -0.005 nan 8.280 nan 0.000 0.552 304 S N -1.095 114.752 115.700 0.245 0.000 2.368 304 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 304 S C 2.211 176.950 174.600 0.231 0.000 1.030 304 S CA 1.359 59.679 58.200 0.200 0.000 0.999 304 S CB -0.729 62.540 63.200 0.115 0.000 0.844 304 S HN 0.524 nan 8.310 nan 0.000 0.459 305 C N 0.863 120.227 119.300 0.106 0.000 2.446 305 C HA 0.057 4.517 4.460 -0.000 0.000 0.277 305 C C 2.504 177.524 174.990 0.049 0.000 1.275 305 C CA 0.368 59.453 59.018 0.111 0.000 1.727 305 C CB -1.249 26.521 27.740 0.050 0.000 2.010 305 C HN 0.518 nan 8.230 nan 0.000 0.486 306 L N 0.472 121.652 121.223 -0.070 0.000 2.046 306 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 306 L C 2.329 179.274 176.870 0.125 0.000 1.077 306 L CA 2.016 56.837 54.840 -0.032 0.000 0.747 306 L CB -1.274 40.730 42.059 -0.091 0.000 0.896 306 L HN 0.566 nan 8.230 nan 0.000 0.432 307 Y N 0.216 120.535 120.300 0.033 0.000 2.097 307 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 307 Y C 2.427 178.311 175.900 -0.027 0.000 1.152 307 Y CA 1.737 59.801 58.100 -0.059 0.000 1.136 307 Y CB -0.360 37.921 38.460 -0.298 0.000 0.975 307 Y HN 0.066 nan 8.280 nan 0.000 0.498 308 R N 0.285 120.654 120.500 -0.218 0.000 2.241 308 R HA -0.068 4.272 4.340 -0.000 0.000 0.224 308 R C 1.993 178.250 176.300 -0.072 0.000 1.101 308 R CA 1.113 57.048 56.100 -0.275 0.000 0.995 308 R CB -0.662 29.635 30.300 -0.006 0.000 0.870 308 R HN 0.369 nan 8.270 nan 0.000 0.463 309 S N 0.470 116.163 115.700 -0.011 0.000 2.558 309 S HA 0.170 4.640 4.470 -0.000 0.000 0.217 309 S C 1.244 175.840 174.600 -0.007 0.000 0.975 309 S CA 0.210 58.437 58.200 0.045 0.000 0.912 309 S CB 0.270 63.512 63.200 0.070 0.000 0.776 309 S HN 0.199 nan 8.310 nan 0.000 0.526 310 L N 0.922 122.038 121.223 -0.178 0.000 3.141 310 L HA 0.416 4.756 4.340 -0.000 0.000 0.267 310 L C 0.576 176.858 176.870 -0.980 0.000 1.281 310 L CA 0.126 54.581 54.840 -0.641 0.000 1.037 310 L CB 0.073 41.700 42.059 -0.721 0.000 1.407 310 L HN 0.222 nan 8.230 nan 0.000 0.566 311 L N -1.488 119.489 121.223 -0.410 0.000 2.624 311 L HA 0.340 4.680 4.340 -0.000 0.000 0.222 311 L C -0.103 176.726 176.870 -0.069 0.000 1.046 311 L CA 0.288 54.947 54.840 -0.302 0.000 0.872 311 L CB 0.523 42.326 42.059 -0.427 0.000 1.190 311 L HN 0.036 nan 8.230 nan 0.000 0.487 312 F N 0.676 120.804 119.950 0.297 0.000 2.546 312 F HA 0.495 5.022 4.527 -0.000 0.000 0.320 312 F C -2.228 173.767 175.800 0.325 0.000 1.076 312 F CA -2.602 55.614 58.000 0.360 0.000 0.928 312 F CB 1.030 40.185 39.000 0.258 0.000 1.189 312 F HN -0.280 nan 8.300 nan 0.000 0.465 313 P HA 0.156 nan 4.420 nan 0.000 0.275 313 P C -0.943 176.754 177.300 0.662 0.000 1.228 313 P CA -0.537 62.922 63.100 0.600 0.000 0.786 313 P CB 0.863 32.888 31.700 0.541 0.000 0.927 314 R N 1.781 122.593 120.500 0.520 0.000 2.582 314 R HA 0.297 4.637 4.340 -0.000 0.000 0.271 314 R C -0.096 176.456 176.300 0.421 0.000 1.078 314 R CA -0.640 55.701 56.100 0.402 0.000 1.127 314 R CB 0.440 30.814 30.300 0.122 0.000 1.038 314 R HN 0.308 nan 8.270 nan 0.000 0.500 315 K N 1.417 121.947 120.400 0.216 0.000 2.485 315 K HA -0.060 4.260 4.320 -0.000 0.000 0.277 315 K C -0.410 176.196 176.600 0.010 0.000 0.990 315 K CA 0.439 56.549 56.287 -0.295 0.000 0.994 315 K CB 0.291 32.560 32.500 -0.385 0.000 0.906 315 K HN 0.558 nan 8.250 nan 0.000 0.488 316 F N 2.983 122.836 119.950 -0.163 0.000 2.815 316 F HA 0.159 4.686 4.527 -0.000 0.000 0.323 316 F C -0.909 174.992 175.800 0.168 0.000 1.151 316 F CA -0.690 57.336 58.000 0.044 0.000 1.191 316 F CB 0.499 39.519 39.000 0.033 0.000 1.069 316 F HN 0.497 nan 8.300 nan 0.000 0.514 317 Y N -0.549 119.783 120.300 0.053 0.000 2.528 317 Y HA 0.821 5.371 4.550 0.000 0.000 0.335 317 Y C -0.636 175.319 175.900 0.090 0.000 1.093 317 Y CA -1.160 57.008 58.100 0.115 0.000 1.134 317 Y CB 0.886 39.428 38.460 0.136 0.000 1.253 317 Y HN 0.045 nan 8.280 nan 0.000 0.478 318 E N 2.157 122.497 120.200 0.234 0.000 2.392 318 E HA 0.425 4.775 4.350 -0.000 0.000 0.269 318 E C -1.596 175.120 176.600 0.192 0.000 0.924 318 E CA -1.253 55.217 56.400 0.116 0.000 0.784 318 E CB 2.376 32.127 29.700 0.084 0.000 1.292 318 E HN 0.395 nan 8.360 nan 0.000 0.447 319 L N 2.876 124.178 121.223 0.132 0.000 2.272 319 L HA 0.223 4.563 4.340 -0.000 0.000 0.289 319 L C 0.196 177.116 176.870 0.083 0.000 1.032 319 L CA -0.409 54.509 54.840 0.130 0.000 0.810 319 L CB 0.150 42.284 42.059 0.125 0.000 1.205 319 L HN 0.665 nan 8.230 nan 0.000 0.422 320 D N 2.451 122.892 120.400 0.068 0.000 2.414 320 D HA 0.158 4.798 4.640 -0.000 0.000 0.251 320 D C 1.168 177.491 176.300 0.039 0.000 1.252 320 D CA -0.008 54.017 54.000 0.043 0.000 0.999 320 D CB 0.738 41.554 40.800 0.028 0.000 1.093 320 D HN 0.446 nan 8.370 nan 0.000 0.515 321 A N 0.129 122.966 122.820 0.028 0.000 1.997 321 A HA -0.249 4.071 4.320 -0.000 0.000 0.221 321 A C 1.625 179.226 177.584 0.028 0.000 1.172 321 A CA 1.460 53.513 52.037 0.026 0.000 0.645 321 A CB -0.731 18.280 19.000 0.019 0.000 0.813 321 A HN 0.613 nan 8.150 nan 0.000 0.454 322 N N -0.910 117.806 118.700 0.027 0.000 2.314 322 N HA 0.176 4.916 4.740 -0.000 0.000 0.200 322 N C 1.008 176.540 175.510 0.037 0.000 1.135 322 N CA 0.909 53.975 53.050 0.028 0.000 0.835 322 N CB 0.399 38.898 38.487 0.020 0.000 0.989 322 N HN 0.654 nan 8.380 nan 0.000 0.478 323 G N 0.794 109.623 108.800 0.047 0.000 2.143 323 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 323 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 323 G C -0.107 174.834 174.900 0.069 0.000 0.991 323 G CA -0.063 45.076 45.100 0.065 0.000 0.689 323 G HN 0.213 nan 8.290 nan 0.000 0.522 324 Q N 0.240 120.068 119.800 0.047 0.000 2.245 324 Q HA 0.443 4.783 4.340 -0.000 0.000 0.256 324 Q C -2.364 173.646 176.000 0.017 0.000 0.942 324 Q CA -2.178 53.634 55.803 0.015 0.000 0.896 324 Q CB 1.898 30.631 28.738 -0.008 0.000 1.272 324 Q HN 0.264 nan 8.270 nan 0.000 0.442 325 P HA 0.103 nan 4.420 nan 0.000 0.267 325 P C -0.444 176.849 177.300 -0.012 0.000 1.209 325 P CA 0.368 63.418 63.100 -0.083 0.000 0.763 325 P CB 0.189 31.480 31.700 -0.683 0.000 0.816 326 I N 1.107 121.749 120.570 0.121 0.000 3.042 326 I HA 0.696 4.866 4.170 -0.000 0.000 0.310 326 I C -0.605 175.653 176.117 0.235 0.000 1.117 326 I CA -1.110 60.244 61.300 0.089 0.000 1.003 326 I CB 2.752 40.767 38.000 0.025 0.000 1.228 326 I HN 0.386 nan 8.210 nan 0.000 0.443 327 H N 1.232 120.397 119.070 0.159 0.000 3.038 327 H HA 0.296 4.852 4.556 -0.000 0.000 0.362 327 H C -2.132 173.341 175.328 0.242 0.000 1.167 327 H CA -0.782 55.400 56.048 0.223 0.000 1.197 327 H CB 1.097 31.036 29.762 0.295 0.000 1.840 327 H HN 0.821 nan 8.280 nan 0.000 0.540 328 Y N 2.359 122.799 120.300 0.234 0.000 2.526 328 Y HA 0.149 4.699 4.550 0.000 0.000 0.330 328 Y C 0.373 176.544 175.900 0.451 0.000 1.156 328 Y CA 0.310 58.562 58.100 0.252 0.000 1.419 328 Y CB 0.826 39.444 38.460 0.264 0.000 1.250 328 Y HN 0.667 nan 8.280 nan 0.000 0.540 329 S N 8.410 123.972 115.700 -0.231 0.000 2.439 329 S HA 0.274 4.744 4.470 -0.000 0.000 0.282 329 S C -1.676 172.586 174.600 -0.562 0.000 1.170 329 S CA -1.502 56.624 58.200 -0.123 0.000 1.054 329 S CB 0.601 63.792 63.200 -0.016 0.000 0.956 329 S HN 0.673 nan 8.310 nan 0.000 0.490 330 P HA 0.031 nan 4.420 nan 0.000 0.242 330 P C 0.072 176.969 177.300 -0.672 0.000 1.197 330 P CA 0.588 63.338 63.100 -0.583 0.000 0.765 330 P CB -0.066 31.079 31.700 -0.925 0.000 0.936 331 Y N 1.391 121.547 120.300 -0.240 0.000 2.396 331 Y HA 0.054 4.604 4.550 -0.000 0.000 0.292 331 Y C 1.863 177.703 175.900 -0.099 0.000 1.128 331 Y CA 1.102 59.099 58.100 -0.173 0.000 1.194 331 Y CB -0.573 37.792 38.460 -0.158 0.000 1.124 331 Y HN 0.089 nan 8.280 nan 0.000 0.543 332 N N -1.331 117.383 118.700 0.023 0.000 2.194 332 N HA 0.204 4.944 4.740 -0.000 0.000 0.231 332 N C 1.135 176.612 175.510 -0.055 0.000 1.247 332 N CA 0.417 53.469 53.050 0.003 0.000 0.884 332 N CB 0.553 39.053 38.487 0.023 0.000 1.146 332 N HN 0.238 nan 8.380 nan 0.000 0.516 333 G N -0.087 108.598 108.800 -0.193 0.000 2.180 333 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.263 333 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.263 333 G C -0.186 174.670 174.900 -0.073 0.000 0.989 333 G CA 0.848 45.828 45.100 -0.200 0.000 0.692 333 G HN 0.554 nan 8.290 nan 0.000 0.526 334 Q N -1.166 118.579 119.800 -0.092 0.000 2.249 334 Q HA 0.645 4.985 4.340 -0.000 0.000 0.226 334 Q C -0.038 175.948 176.000 -0.023 0.000 0.983 334 Q CA -0.721 55.071 55.803 -0.019 0.000 0.930 334 Q CB 1.967 30.690 28.738 -0.025 0.000 1.193 334 Q HN 0.146 nan 8.270 nan 0.000 0.508 335 V N 2.300 122.220 119.914 0.010 0.000 2.384 335 V HA 0.444 4.564 4.120 -0.000 0.000 0.287 335 V C -0.484 175.542 176.094 -0.112 0.000 1.020 335 V CA -0.365 61.929 62.300 -0.009 0.000 0.850 335 V CB 0.880 32.733 31.823 0.051 0.000 0.987 335 V HN 0.507 nan 8.190 nan 0.000 0.436 336 L N 6.743 127.789 121.223 -0.295 0.000 2.350 336 L HA 0.637 4.977 4.340 -0.000 0.000 0.260 336 L C -2.480 174.161 176.870 -0.382 0.000 1.015 336 L CA -2.021 52.633 54.840 -0.311 0.000 0.821 336 L CB 3.295 45.196 42.059 -0.264 0.000 1.370 336 L HN 0.393 nan 8.230 nan 0.000 0.416 337 P HA 0.342 nan 4.420 nan 0.000 0.274 337 P C -0.093 177.216 177.300 0.015 0.000 1.237 337 P CA 0.291 63.343 63.100 -0.080 0.000 0.793 337 P CB 1.066 32.738 31.700 -0.046 0.000 0.977 338 G N 0.018 108.810 108.800 -0.013 0.000 2.592 338 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.684 338 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.684 338 G C -1.407 173.472 174.900 -0.035 0.000 1.291 338 G CA -0.936 44.125 45.100 -0.065 0.000 0.891 338 G HN 0.314 nan 8.290 nan 0.000 0.544 339 Y N -0.800 119.508 120.300 0.013 0.000 2.326 339 Y HA 0.687 5.237 4.550 -0.000 0.000 0.333 339 Y C 0.959 176.832 175.900 -0.044 0.000 1.240 339 Y CA 0.307 58.335 58.100 -0.119 0.000 1.365 339 Y CB 1.500 39.934 38.460 -0.044 0.000 1.289 339 Y HN 0.811 nan 8.280 nan 0.000 0.548 340 M N 3.034 122.748 119.600 0.191 0.000 2.365 340 M HA 0.556 5.036 4.480 -0.000 0.000 0.287 340 M C -2.378 174.085 176.300 0.270 0.000 1.154 340 M CA -0.884 54.500 55.300 0.140 0.000 0.941 340 M CB 1.140 33.590 32.600 -0.250 0.000 1.704 340 M HN 0.382 nan 8.290 nan 0.000 0.479 341 F N 0.783 120.896 119.950 0.273 0.000 2.620 341 F HA 0.926 5.453 4.527 -0.000 0.000 0.320 341 F C 0.243 176.158 175.800 0.191 0.000 1.069 341 F CA -0.435 57.747 58.000 0.303 0.000 0.953 341 F CB 2.459 41.635 39.000 0.293 0.000 1.322 341 F HN 0.648 nan 8.300 nan 0.000 0.479 342 T N -1.092 113.685 114.554 0.371 0.000 2.661 342 T HA 0.368 4.718 4.350 -0.000 0.000 0.305 342 T C -2.189 172.694 174.700 0.305 0.000 1.441 342 T CA -0.542 61.670 62.100 0.187 0.000 0.999 342 T CB 0.926 69.681 68.868 -0.187 0.000 1.650 342 T HN 0.644 nan 8.240 nan 0.000 0.489 343 D N 0.833 121.398 120.400 0.276 0.000 2.800 343 D HA -0.087 4.553 4.640 -0.000 0.000 0.248 343 D C -0.546 175.964 176.300 0.350 0.000 1.091 343 D CA 1.413 55.675 54.000 0.438 0.000 0.746 343 D CB -1.486 39.680 40.800 0.609 0.000 1.062 343 D HN 0.647 nan 8.370 nan 0.000 0.431 344 T N -1.149 113.417 114.554 0.019 0.000 2.932 344 T HA 0.596 4.946 4.350 -0.000 0.000 0.318 344 T C -0.475 173.526 174.700 -1.166 0.000 1.265 344 T CA 0.010 61.902 62.100 -0.348 0.000 1.036 344 T CB 1.754 70.676 68.868 0.090 0.000 1.209 344 T HN 0.220 nan 8.240 nan 0.000 0.484 345 G N 2.653 110.347 108.800 -1.844 0.000 2.384 345 G HA2 0.538 4.498 3.960 -0.000 0.000 0.316 345 G HA3 0.538 4.498 3.960 -0.000 0.000 0.316 345 G C 0.487 175.048 174.900 -0.566 0.000 1.160 345 G CA -0.588 43.303 45.100 -2.014 0.000 0.936 345 G HN 0.617 nan 8.290 nan 0.000 0.455 346 F N 1.046 120.889 119.950 -0.178 0.000 2.269 346 F HA 0.022 4.549 4.527 -0.000 0.000 0.301 346 F C 2.026 178.006 175.800 0.300 0.000 1.082 346 F CA -0.004 58.037 58.000 0.069 0.000 1.360 346 F CB -0.407 38.612 39.000 0.032 0.000 1.041 346 F HN 0.752 nan 8.300 nan 0.000 0.512 347 W N 1.766 123.247 121.300 0.302 0.000 2.331 347 W HA -0.223 4.437 4.660 -0.000 0.000 0.291 347 W C 1.891 178.578 176.519 0.280 0.000 1.214 347 W CA 2.028 59.605 57.345 0.387 0.000 1.228 347 W CB -0.211 29.448 29.460 0.331 0.000 1.135 347 W HN -0.067 nan 8.180 nan 0.000 0.537 348 D N -1.202 119.381 120.400 0.305 0.000 2.110 348 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 348 D C 2.164 178.448 176.300 -0.027 0.000 0.975 348 D CA 2.564 56.602 54.000 0.064 0.000 0.839 348 D CB -0.964 39.940 40.800 0.172 0.000 0.996 348 D HN 0.264 nan 8.370 nan 0.000 0.464 349 T N -0.912 113.737 114.554 0.159 0.000 3.081 349 T HA -0.004 4.346 4.350 -0.000 0.000 0.250 349 T C 1.922 176.817 174.700 0.324 0.000 1.100 349 T CA -0.185 62.078 62.100 0.272 0.000 1.038 349 T CB -0.696 68.450 68.868 0.465 0.000 0.962 349 T HN 0.231 nan 8.240 nan 0.000 0.516 350 F N 2.131 122.177 119.950 0.160 0.000 2.293 350 F HA 0.218 4.745 4.527 -0.000 0.000 0.300 350 F C 2.240 178.020 175.800 -0.034 0.000 1.086 350 F CA -0.011 57.995 58.000 0.010 0.000 1.375 350 F CB -0.365 38.588 39.000 -0.078 0.000 1.045 350 F HN -0.055 nan 8.300 nan 0.000 0.516 351 R N 0.433 120.374 120.500 -0.932 0.000 2.082 351 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 351 R C 2.021 178.140 176.300 -0.301 0.000 1.136 351 R CA 2.266 57.891 56.100 -0.792 0.000 0.935 351 R CB -0.850 29.050 30.300 -0.667 0.000 0.842 351 R HN 0.669 nan 8.270 nan 0.000 0.430 352 C N -2.829 116.415 119.300 -0.094 0.000 4.403 352 C HA 0.348 4.808 4.460 -0.000 0.000 0.408 352 C C 1.869 177.005 174.990 0.245 0.000 1.714 352 C CA -0.865 58.136 59.018 -0.029 0.000 2.002 352 C CB -0.604 27.043 27.740 -0.156 0.000 3.129 352 C HN 0.352 nan 8.230 nan 0.000 0.662 353 L N 1.288 122.643 121.223 0.221 0.000 2.005 353 L HA 0.134 4.474 4.340 -0.000 0.000 0.207 353 L C 2.165 179.138 176.870 0.173 0.000 1.072 353 L CA 2.332 57.295 54.840 0.206 0.000 0.744 353 L CB -1.336 40.816 42.059 0.155 0.000 0.895 353 L HN 0.370 nan 8.230 nan 0.000 0.433 354 F N 0.517 120.566 119.950 0.164 0.000 2.186 354 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 354 F C -0.213 175.682 175.800 0.158 0.000 1.090 354 F CA 1.308 59.389 58.000 0.135 0.000 1.307 354 F CB -1.805 37.225 39.000 0.050 0.000 1.019 354 F HN 0.191 nan 8.300 nan 0.000 0.489 355 P HA -0.219 nan 4.420 nan 0.000 0.216 355 P C 1.916 179.513 177.300 0.494 0.000 1.153 355 P CA 1.226 64.515 63.100 0.316 0.000 0.858 355 P CB -0.061 31.742 31.700 0.171 0.000 0.789 356 L N -0.869 120.677 121.223 0.537 0.000 2.042 356 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 356 L C 2.148 179.223 176.870 0.342 0.000 1.076 356 L CA 1.828 56.883 54.840 0.358 0.000 0.749 356 L CB -1.315 40.841 42.059 0.162 0.000 0.893 356 L HN -0.114 nan 8.230 nan 0.000 0.432 357 L N -0.696 120.731 121.223 0.341 0.000 2.046 357 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 357 L C 2.188 179.243 176.870 0.310 0.000 1.077 357 L CA 1.977 57.034 54.840 0.361 0.000 0.747 357 L CB -0.940 41.229 42.059 0.184 0.000 0.896 357 L HN 0.410 nan 8.230 nan 0.000 0.432 358 N N -0.185 118.690 118.700 0.291 0.000 2.223 358 N HA -0.198 4.542 4.740 -0.000 0.000 0.185 358 N C 1.722 177.488 175.510 0.426 0.000 1.016 358 N CA 0.691 53.907 53.050 0.276 0.000 0.863 358 N CB -0.010 38.578 38.487 0.167 0.000 0.983 358 N HN 0.154 nan 8.380 nan 0.000 0.429 359 L N 0.077 121.575 121.223 0.458 0.000 2.034 359 L HA 0.067 4.407 4.340 -0.000 0.000 0.203 359 L C 1.632 178.764 176.870 0.437 0.000 1.074 359 L CA 1.594 56.736 54.840 0.504 0.000 0.748 359 L CB -0.081 42.242 42.059 0.438 0.000 0.905 359 L HN 0.131 nan 8.230 nan 0.000 0.439 360 M N -2.049 117.635 119.600 0.141 0.000 2.461 360 M HA 0.164 4.644 4.480 -0.000 0.000 0.255 360 M C -0.103 175.822 176.300 -0.626 0.000 1.137 360 M CA 0.597 55.712 55.300 -0.308 0.000 1.086 360 M CB -0.115 32.052 32.600 -0.722 0.000 1.356 360 M HN 0.187 nan 8.290 nan 0.000 0.487 361 Y N -0.482 119.945 120.300 0.211 0.000 2.685 361 Y HA 0.297 4.847 4.550 -0.000 0.000 0.284 361 Y C -1.704 174.239 175.900 0.072 0.000 0.944 361 Y CA -1.818 56.367 58.100 0.142 0.000 1.107 361 Y CB -0.321 38.247 38.460 0.181 0.000 1.188 361 Y HN 0.046 nan 8.280 nan 0.000 0.635 362 P HA -0.190 nan 4.420 nan 0.000 0.218 362 P C 1.640 178.973 177.300 0.054 0.000 1.149 362 P CA 1.961 65.145 63.100 0.140 0.000 0.817 362 P CB 0.256 32.069 31.700 0.187 0.000 0.785 363 S N -0.821 114.908 115.700 0.049 0.000 2.419 363 S HA -0.078 4.392 4.470 -0.000 0.000 0.233 363 S C 1.993 176.544 174.600 -0.081 0.000 1.016 363 S CA 1.137 59.336 58.200 -0.002 0.000 0.974 363 S CB -1.608 61.606 63.200 0.025 0.000 0.786 363 S HN -0.006 nan 8.310 nan 0.000 0.492 364 V N 2.413 122.255 119.914 -0.119 0.000 2.488 364 V HA -0.021 4.099 4.120 -0.000 0.000 0.246 364 V C 2.684 178.547 176.094 -0.385 0.000 1.046 364 V CA 1.713 63.808 62.300 -0.341 0.000 1.053 364 V CB -1.088 30.327 31.823 -0.680 0.000 0.679 364 V HN 0.504 nan 8.190 nan 0.000 0.458 365 N N 0.675 119.241 118.700 -0.223 0.000 2.309 365 N HA -0.168 4.572 4.740 -0.000 0.000 0.182 365 N C 1.689 177.099 175.510 -0.167 0.000 1.018 365 N CA 1.084 54.031 53.050 -0.171 0.000 0.876 365 N CB -0.185 38.306 38.487 0.007 0.000 0.972 365 N HN 0.357 nan 8.380 nan 0.000 0.434 366 K N 1.336 121.653 120.400 -0.139 0.000 2.032 366 K HA -0.099 4.221 4.320 -0.000 0.000 0.209 366 K C 1.619 178.108 176.600 -0.185 0.000 1.048 366 K CA 1.554 57.772 56.287 -0.116 0.000 0.927 366 K CB -0.280 32.171 32.500 -0.081 0.000 0.712 366 K HN 0.303 nan 8.250 nan 0.000 0.441 367 E N -0.122 119.881 120.200 -0.328 0.000 2.031 367 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 367 E C 2.142 178.587 176.600 -0.258 0.000 0.994 367 E CA 1.859 57.969 56.400 -0.483 0.000 0.800 367 E CB -0.218 29.195 29.700 -0.478 0.000 0.752 367 E HN 0.360 nan 8.360 nan 0.000 0.447 368 M N 0.679 119.880 119.600 -0.665 0.000 2.082 368 M HA -0.240 4.240 4.480 -0.000 0.000 0.258 368 M C 2.370 178.591 176.300 -0.131 0.000 1.069 368 M CA 1.443 56.328 55.300 -0.691 0.000 1.102 368 M CB -0.300 31.918 32.600 -0.637 0.000 1.336 368 M HN 0.008 nan 8.290 nan 0.000 0.404 369 Q N 0.345 120.084 119.800 -0.101 0.000 2.084 369 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 369 Q C 1.982 178.014 176.000 0.053 0.000 0.978 369 Q CA 1.310 57.091 55.803 -0.037 0.000 0.844 369 Q CB -0.571 28.134 28.738 -0.055 0.000 0.898 369 Q HN 0.513 nan 8.270 nan 0.000 0.426 370 E N 0.083 120.330 120.200 0.078 0.000 2.085 370 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 370 E C 2.049 178.784 176.600 0.224 0.000 0.994 370 E CA 1.308 57.810 56.400 0.170 0.000 0.801 370 E CB -0.551 29.299 29.700 0.249 0.000 0.743 370 E HN 0.505 nan 8.360 nan 0.000 0.453 371 G N 1.225 110.189 108.800 0.273 0.000 2.469 371 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 371 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 371 G C 1.746 176.796 174.900 0.250 0.000 1.136 371 G CA 0.716 46.002 45.100 0.310 0.000 0.759 371 G HN 0.188 nan 8.290 nan 0.000 0.562 372 L N 0.241 121.606 121.223 0.237 0.000 2.056 372 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 372 L C 2.797 179.922 176.870 0.426 0.000 1.078 372 L CA 0.196 55.220 54.840 0.307 0.000 0.749 372 L CB -0.416 41.750 42.059 0.178 0.000 0.901 372 L HN 0.088 nan 8.230 nan 0.000 0.433 373 I N 0.674 121.451 120.570 0.346 0.000 2.091 373 I HA -0.345 3.825 4.170 -0.000 0.000 0.239 373 I C 2.127 178.364 176.117 0.200 0.000 1.061 373 I CA 1.885 63.371 61.300 0.311 0.000 1.317 373 I CB -1.503 36.626 38.000 0.214 0.000 1.031 373 I HN 0.378 nan 8.210 nan 0.000 0.401 374 N N -0.108 118.693 118.700 0.167 0.000 2.104 374 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 374 N C 1.661 177.197 175.510 0.044 0.000 1.024 374 N CA 1.910 55.033 53.050 0.122 0.000 0.853 374 N CB -0.192 38.389 38.487 0.157 0.000 1.008 374 N HN 0.377 nan 8.380 nan 0.000 0.424 375 T N -0.052 114.513 114.554 0.019 0.000 2.720 375 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 375 T C 1.590 176.126 174.700 -0.274 0.000 1.037 375 T CA 1.171 63.120 62.100 -0.252 0.000 1.144 375 T CB -0.453 68.284 68.868 -0.218 0.000 0.864 375 T HN 0.362 nan 8.240 nan 0.000 0.444 376 Y N 1.662 121.784 120.300 -0.296 0.000 2.200 376 Y HA 0.019 4.569 4.550 -0.000 0.000 0.290 376 Y C 1.962 177.664 175.900 -0.331 0.000 1.137 376 Y CA 0.916 58.723 58.100 -0.487 0.000 1.163 376 Y CB -0.538 37.309 38.460 -1.023 0.000 0.988 376 Y HN 0.121 nan 8.280 nan 0.000 0.518 377 L N 0.008 121.044 121.223 -0.310 0.000 2.083 377 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 377 L C 2.003 178.712 176.870 -0.268 0.000 1.083 377 L CA 1.914 56.560 54.840 -0.323 0.000 0.752 377 L CB -0.438 41.555 42.059 -0.109 0.000 0.899 377 L HN 0.278 nan 8.230 nan 0.000 0.433 378 E N -1.059 119.038 120.200 -0.173 0.000 2.400 378 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 378 E C 1.868 178.428 176.600 -0.067 0.000 1.012 378 E CA 0.934 57.287 56.400 -0.078 0.000 0.875 378 E CB 0.280 30.004 29.700 0.041 0.000 0.859 378 E HN 0.445 nan 8.360 nan 0.000 0.498 379 S N -1.696 113.920 115.700 -0.139 0.000 2.649 379 S HA 0.305 4.775 4.470 -0.000 0.000 0.246 379 S C 1.571 176.205 174.600 0.056 0.000 1.057 379 S CA 0.340 58.562 58.200 0.036 0.000 1.051 379 S CB 0.986 64.215 63.200 0.048 0.000 1.018 379 S HN 0.278 nan 8.310 nan 0.000 0.569 380 G N 0.417 109.050 108.800 -0.279 0.000 2.199 380 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.254 380 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.254 380 G C -0.127 174.391 174.900 -0.637 0.000 0.982 380 G CA 0.337 45.090 45.100 -0.579 0.000 0.632 380 G HN 0.547 nan 8.290 nan 0.000 0.529 381 F N -0.845 119.056 119.950 -0.082 0.000 2.613 381 F HA 0.740 5.267 4.527 -0.000 0.000 0.310 381 F C 0.112 175.947 175.800 0.057 0.000 1.085 381 F CA -1.408 56.651 58.000 0.099 0.000 0.945 381 F CB 1.132 40.169 39.000 0.063 0.000 1.298 381 F HN -0.065 nan 8.300 nan 0.000 0.455 382 F N 3.309 123.489 119.950 0.383 0.000 2.459 382 F HA 0.331 4.858 4.527 -0.000 0.000 0.346 382 F C -1.807 174.185 175.800 0.321 0.000 1.128 382 F CA -1.956 56.201 58.000 0.261 0.000 1.268 382 F CB -0.078 38.992 39.000 0.118 0.000 1.161 382 F HN 0.097 nan 8.300 nan 0.000 0.583 383 P HA 0.158 nan 4.420 nan 0.000 0.276 383 P C -0.413 177.070 177.300 0.304 0.000 1.252 383 P CA -0.139 63.241 63.100 0.465 0.000 0.802 383 P CB 1.634 33.531 31.700 0.327 0.000 1.035 384 E N 0.039 120.340 120.200 0.169 0.000 2.476 384 E HA 0.094 4.444 4.350 -0.000 0.000 0.193 384 E C -0.207 176.310 176.600 -0.138 0.000 0.966 384 E CA 0.747 57.214 56.400 0.112 0.000 1.114 384 E CB -0.133 29.704 29.700 0.227 0.000 1.151 384 E HN 0.486 nan 8.360 nan 0.000 0.487 385 W N 0.814 122.102 121.300 -0.020 0.000 2.475 385 W HA 0.577 5.237 4.660 -0.000 0.000 0.317 385 W C -0.830 175.679 176.519 -0.018 0.000 1.046 385 W CA -0.373 56.948 57.345 -0.040 0.000 1.215 385 W CB 1.577 31.047 29.460 0.017 0.000 1.335 385 W HN -0.003 nan 8.180 nan 0.000 0.471 386 A N 3.207 126.242 122.820 0.358 0.000 2.343 386 A HA 0.697 5.017 4.320 -0.000 0.000 0.308 386 A C -0.881 176.843 177.584 0.233 0.000 1.092 386 A CA -0.523 51.638 52.037 0.207 0.000 0.751 386 A CB 1.801 20.857 19.000 0.093 0.000 1.203 386 A HN 0.318 nan 8.150 nan 0.000 0.452 387 S N 3.719 119.435 115.700 0.027 0.000 2.417 387 S HA 0.467 4.937 4.470 -0.000 0.000 0.189 387 S C -2.509 171.850 174.600 -0.401 0.000 1.005 387 S CA -0.529 57.638 58.200 -0.054 0.000 1.116 387 S CB 1.143 64.434 63.200 0.152 0.000 1.343 387 S HN 0.510 nan 8.310 nan 0.000 0.406 388 P HA 0.248 nan 4.420 nan 0.000 0.239 388 P C 0.972 177.770 177.300 -0.838 0.000 1.188 388 P CA 0.331 62.910 63.100 -0.868 0.000 0.794 388 P CB 0.132 30.992 31.700 -1.400 0.000 0.937 389 G N -0.406 107.908 108.800 -0.810 0.000 2.543 389 G HA2 0.187 4.147 3.960 -0.000 0.000 0.267 389 G HA3 0.187 4.147 3.960 -0.000 0.000 0.267 389 G C -0.569 174.081 174.900 -0.417 0.000 1.406 389 G CA -0.359 44.160 45.100 -0.968 0.000 1.048 389 G HN 0.077 nan 8.290 nan 0.000 0.548 390 H N 0.826 119.852 119.070 -0.073 0.000 2.929 390 H HA 0.261 4.817 4.556 -0.000 0.000 0.317 390 H C 0.276 175.538 175.328 -0.109 0.000 1.031 390 H CA 0.456 56.490 56.048 -0.023 0.000 1.466 390 H CB 0.533 30.204 29.762 -0.151 0.000 1.482 390 H HN 0.127 nan 8.280 nan 0.000 0.561 391 R N 1.525 122.078 120.500 0.088 0.000 2.628 391 R HA 0.299 4.639 4.340 -0.000 0.000 0.288 391 R C 0.228 176.531 176.300 0.006 0.000 0.980 391 R CA -0.947 55.150 56.100 -0.004 0.000 0.891 391 R CB 2.110 32.380 30.300 -0.051 0.000 1.188 391 R HN 0.786 nan 8.270 nan 0.000 0.450 392 G N 0.944 109.720 108.800 -0.041 0.000 2.444 392 G HA2 0.350 4.310 3.960 -0.000 0.000 0.303 392 G HA3 0.350 4.310 3.960 -0.000 0.000 0.303 392 G C -0.469 174.395 174.900 -0.060 0.000 1.032 392 G CA -0.045 45.036 45.100 -0.031 0.000 1.137 392 G HN 0.487 nan 8.290 nan 0.000 0.430 393 C N 5.236 124.520 119.300 -0.026 0.000 3.113 393 C HA 0.655 5.115 4.460 -0.000 0.000 0.376 393 C C 0.007 175.033 174.990 0.060 0.000 1.077 393 C CA -0.613 58.350 59.018 -0.091 0.000 1.253 393 C CB 0.562 28.044 27.740 -0.430 0.000 1.637 393 C HN 1.001 nan 8.230 nan 0.000 0.535 394 M N 2.851 122.410 119.600 -0.069 0.000 7.319 394 M HA -0.164 4.316 4.480 -0.000 0.000 0.181 394 M C 0.037 176.275 176.300 -0.104 0.000 0.480 394 M CA 1.840 57.002 55.300 -0.231 0.000 1.311 394 M CB -2.197 30.230 32.600 -0.289 0.000 0.421 394 M HN 1.765 nan 8.290 nan 0.000 0.232 395 V N -3.272 116.572 119.914 -0.116 0.000 3.112 395 V HA 1.022 5.142 4.120 -0.000 0.000 0.310 395 V C 0.168 176.466 176.094 0.340 0.000 1.364 395 V CA 0.821 63.185 62.300 0.106 0.000 1.058 395 V CB 1.210 33.061 31.823 0.047 0.000 1.079 395 V HN 2.711 nan 8.190 nan 0.000 0.463 396 G N 0.701 109.702 108.800 0.335 0.000 2.710 396 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.668 396 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.668 396 G C -0.303 174.856 174.900 0.432 0.000 1.320 396 G CA 0.190 45.554 45.100 0.441 0.000 0.860 396 G HN 1.813 nan 8.290 nan 0.000 0.538 397 N N -0.283 118.616 118.700 0.333 0.000 2.480 397 N HA 0.118 4.858 4.740 -0.000 0.000 0.281 397 N C 1.108 176.617 175.510 -0.002 0.000 1.381 397 N CA 0.186 53.310 53.050 0.123 0.000 0.903 397 N CB -0.097 38.359 38.487 -0.051 0.000 1.274 397 N HN 0.492 nan 8.380 nan 0.000 0.505 398 N N -0.372 118.340 118.700 0.020 0.000 2.609 398 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 398 N C 1.761 177.111 175.510 -0.267 0.000 1.157 398 N CA 0.761 53.675 53.050 -0.226 0.000 0.918 398 N CB 0.222 38.533 38.487 -0.293 0.000 0.978 398 N HN 0.307 nan 8.380 nan 0.000 0.448 399 S N 0.348 115.977 115.700 -0.119 0.000 2.400 399 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 399 S C 2.137 176.411 174.600 -0.544 0.000 1.025 399 S CA 0.893 58.849 58.200 -0.407 0.000 0.993 399 S CB -0.459 62.717 63.200 -0.040 0.000 0.808 399 S HN 0.399 nan 8.310 nan 0.000 0.478 400 A N 1.618 124.183 122.820 -0.426 0.000 1.902 400 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 400 A C 2.444 179.723 177.584 -0.508 0.000 1.181 400 A CA 1.918 53.669 52.037 -0.477 0.000 0.623 400 A CB -1.355 17.386 19.000 -0.432 0.000 0.818 400 A HN 0.566 nan 8.150 nan 0.000 0.443 401 S N -0.446 114.943 115.700 -0.518 0.000 2.348 401 S HA -0.136 4.334 4.470 -0.000 0.000 0.221 401 S C 1.952 176.331 174.600 -0.367 0.000 1.033 401 S CA 1.435 59.383 58.200 -0.420 0.000 1.010 401 S CB -0.452 62.534 63.200 -0.358 0.000 0.891 401 S HN 0.379 nan 8.310 nan 0.000 0.442 402 I N 1.834 122.090 120.570 -0.524 0.000 2.118 402 I HA -0.204 3.966 4.170 -0.000 0.000 0.241 402 I C 2.380 178.177 176.117 -0.533 0.000 1.070 402 I CA 1.519 62.416 61.300 -0.672 0.000 1.327 402 I CB -1.627 35.596 38.000 -1.295 0.000 1.034 402 I HN 0.361 nan 8.210 nan 0.000 0.405 403 L N -0.330 120.546 121.223 -0.579 0.000 2.027 403 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 403 L C 2.604 179.277 176.870 -0.328 0.000 1.074 403 L CA 0.818 55.365 54.840 -0.488 0.000 0.745 403 L CB -0.580 41.094 42.059 -0.642 0.000 0.898 403 L HN 0.018 nan 8.230 nan 0.000 0.433 404 V N -0.374 119.333 119.914 -0.345 0.000 2.453 404 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 404 V C 2.101 178.084 176.094 -0.185 0.000 1.048 404 V CA 1.864 64.001 62.300 -0.273 0.000 1.049 404 V CB -0.369 31.236 31.823 -0.363 0.000 0.672 404 V HN 0.456 nan 8.190 nan 0.000 0.457 405 D N 0.559 120.845 120.400 -0.190 0.000 2.097 405 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 405 D C 2.146 178.371 176.300 -0.126 0.000 0.989 405 D CA 1.583 55.500 54.000 -0.138 0.000 0.827 405 D CB -0.120 40.623 40.800 -0.095 0.000 0.966 405 D HN 0.344 nan 8.370 nan 0.000 0.456 406 A N -0.647 122.107 122.820 -0.110 0.000 1.883 406 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 406 A C 2.297 179.839 177.584 -0.070 0.000 1.186 406 A CA 1.676 53.668 52.037 -0.075 0.000 0.624 406 A CB -1.434 17.524 19.000 -0.070 0.000 0.822 406 A HN 0.520 nan 8.150 nan 0.000 0.444 407 Y N -0.127 120.074 120.300 -0.165 0.000 2.145 407 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 407 Y C 2.348 178.162 175.900 -0.144 0.000 1.145 407 Y CA 2.221 60.233 58.100 -0.146 0.000 1.148 407 Y CB -0.137 38.223 38.460 -0.167 0.000 0.981 407 Y HN 0.218 nan 8.280 nan 0.000 0.507 408 M N -0.019 119.552 119.600 -0.048 0.000 2.374 408 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 408 M C 1.358 177.528 176.300 -0.216 0.000 1.067 408 M CA 1.508 56.732 55.300 -0.127 0.000 1.103 408 M CB -0.796 31.728 32.600 -0.127 0.000 1.402 408 M HN 0.170 nan 8.290 nan 0.000 0.444 409 K N -0.253 119.999 120.400 -0.247 0.000 2.469 409 K HA 0.273 4.593 4.320 -0.000 0.000 0.201 409 K C 0.881 177.392 176.600 -0.149 0.000 1.028 409 K CA 0.328 56.422 56.287 -0.322 0.000 1.170 409 K CB -0.002 32.212 32.500 -0.477 0.000 0.874 409 K HN 0.480 nan 8.250 nan 0.000 0.507 410 G N 0.465 109.150 108.800 -0.191 0.000 2.143 410 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.249 410 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.249 410 G C 0.004 174.842 174.900 -0.104 0.000 0.981 410 G CA -0.030 44.982 45.100 -0.145 0.000 0.665 410 G HN 0.154 nan 8.290 nan 0.000 0.528 411 V N 1.588 121.438 119.914 -0.107 0.000 2.258 411 V HA 0.364 4.484 4.120 -0.000 0.000 0.258 411 V C 0.466 176.514 176.094 -0.076 0.000 1.121 411 V CA -0.137 62.129 62.300 -0.057 0.000 0.942 411 V CB 0.783 32.596 31.823 -0.018 0.000 1.170 411 V HN 0.311 nan 8.190 nan 0.000 0.487 412 K N 3.432 123.781 120.400 -0.084 0.000 2.265 412 K HA 0.559 4.879 4.320 -0.000 0.000 0.267 412 K C -0.104 176.529 176.600 0.055 0.000 0.994 412 K CA -0.638 55.631 56.287 -0.030 0.000 0.860 412 K CB 2.337 34.739 32.500 -0.162 0.000 1.099 412 K HN 0.524 nan 8.250 nan 0.000 0.448 413 V N -0.331 119.648 119.914 0.109 0.000 3.096 413 V HA 0.008 4.128 4.120 -0.000 0.000 0.306 413 V C 0.759 176.909 176.094 0.094 0.000 1.088 413 V CA -0.044 62.309 62.300 0.088 0.000 1.129 413 V CB 0.756 32.630 31.823 0.084 0.000 1.014 413 V HN 0.682 nan 8.190 nan 0.000 0.486 414 D N 0.714 121.164 120.400 0.083 0.000 2.144 414 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 414 D C 0.716 177.056 176.300 0.067 0.000 0.978 414 D CA 1.974 56.017 54.000 0.072 0.000 0.833 414 D CB -0.013 40.829 40.800 0.070 0.000 0.961 414 D HN 0.898 nan 8.370 nan 0.000 0.470 415 D N 0.349 120.791 120.400 0.069 0.000 2.485 415 D HA 0.073 4.713 4.640 -0.000 0.000 0.256 415 D C 1.052 177.380 176.300 0.046 0.000 1.141 415 D CA -0.308 53.726 54.000 0.056 0.000 0.942 415 D CB -0.135 40.701 40.800 0.061 0.000 1.003 415 D HN 0.036 nan 8.370 nan 0.000 0.507 416 I N 2.129 122.718 120.570 0.031 0.000 2.614 416 I HA -0.147 4.023 4.170 -0.000 0.000 0.258 416 I C 1.921 178.020 176.117 -0.031 0.000 1.189 416 I CA 0.784 62.073 61.300 -0.019 0.000 1.462 416 I CB 0.225 38.202 38.000 -0.039 0.000 1.092 416 I HN 0.220 nan 8.210 nan 0.000 0.442 417 K N 0.141 120.537 120.400 -0.006 0.000 2.057 417 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 417 K C 1.870 178.490 176.600 0.034 0.000 1.050 417 K CA 1.913 58.203 56.287 0.005 0.000 0.935 417 K CB -0.052 32.450 32.500 0.002 0.000 0.715 417 K HN 0.267 nan 8.250 nan 0.000 0.439 418 T N 2.335 116.912 114.554 0.039 0.000 2.821 418 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 418 T C 1.629 176.324 174.700 -0.009 0.000 1.046 418 T CA 0.999 63.131 62.100 0.053 0.000 1.139 418 T CB -0.161 68.766 68.868 0.098 0.000 0.871 418 T HN 0.155 nan 8.240 nan 0.000 0.454 419 L N 0.597 121.836 121.223 0.027 0.000 1.989 419 L HA -0.070 4.270 4.340 -0.000 0.000 0.211 419 L C 2.058 178.895 176.870 -0.055 0.000 1.071 419 L CA 1.821 56.681 54.840 0.034 0.000 0.749 419 L CB -1.293 40.746 42.059 -0.035 0.000 0.890 419 L HN 0.275 nan 8.230 nan 0.000 0.431 420 Y N 0.906 121.099 120.300 -0.178 0.000 2.145 420 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 420 Y C 2.473 178.265 175.900 -0.179 0.000 1.145 420 Y CA 2.286 60.262 58.100 -0.208 0.000 1.148 420 Y CB -0.166 38.169 38.460 -0.208 0.000 0.981 420 Y HN 0.454 nan 8.280 nan 0.000 0.507 421 E N -0.829 119.323 120.200 -0.081 0.000 2.085 421 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 421 E C 2.448 178.847 176.600 -0.336 0.000 0.994 421 E CA 0.996 57.315 56.400 -0.134 0.000 0.801 421 E CB -0.634 29.056 29.700 -0.016 0.000 0.743 421 E HN 0.628 nan 8.360 nan 0.000 0.453 422 G N 1.747 110.145 108.800 -0.669 0.000 2.446 422 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 422 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 422 G C 1.625 176.305 174.900 -0.366 0.000 1.168 422 G CA 0.626 44.978 45.100 -1.247 0.000 0.771 422 G HN 0.077 nan 8.290 nan 0.000 0.551 423 L N 0.317 121.421 121.223 -0.199 0.000 2.012 423 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 423 L C 2.879 179.555 176.870 -0.322 0.000 1.073 423 L CA 0.636 55.314 54.840 -0.269 0.000 0.748 423 L CB -0.346 41.414 42.059 -0.500 0.000 0.891 423 L HN 0.141 nan 8.230 nan 0.000 0.431 424 I N -0.755 119.569 120.570 -0.410 0.000 2.179 424 I HA -0.348 3.822 4.170 -0.000 0.000 0.242 424 I C 2.581 178.606 176.117 -0.153 0.000 1.088 424 I CA 1.649 62.788 61.300 -0.268 0.000 1.357 424 I CB -1.541 36.310 38.000 -0.249 0.000 1.051 424 I HN 0.460 nan 8.210 nan 0.000 0.409 425 H N 1.420 120.350 119.070 -0.233 0.000 2.357 425 H HA -0.180 4.376 4.556 -0.000 0.000 0.296 425 H C 2.098 177.291 175.328 -0.226 0.000 1.108 425 H CA 2.048 57.961 56.048 -0.226 0.000 1.273 425 H CB -0.118 29.517 29.762 -0.212 0.000 1.367 425 H HN 0.339 nan 8.280 nan 0.000 0.498 426 G N -0.538 108.202 108.800 -0.100 0.000 2.471 426 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 426 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 426 G C 1.804 176.597 174.900 -0.179 0.000 1.125 426 G CA 1.191 46.261 45.100 -0.051 0.000 0.775 426 G HN 0.615 nan 8.290 nan 0.000 0.548 427 T N -1.125 113.307 114.554 -0.204 0.000 3.088 427 T HA 0.094 4.444 4.350 -0.000 0.000 0.259 427 T C 1.278 175.806 174.700 -0.288 0.000 1.122 427 T CA 1.097 63.093 62.100 -0.174 0.000 1.095 427 T CB -0.019 68.862 68.868 0.022 0.000 0.930 427 T HN 0.575 nan 8.240 nan 0.000 0.508 428 E N 0.346 120.239 120.200 -0.512 0.000 3.191 428 E HA 0.334 4.684 4.350 -0.000 0.000 0.192 428 E C -0.658 175.119 176.600 -1.373 0.000 0.972 428 E CA -0.852 54.983 56.400 -0.942 0.000 1.266 428 E CB 0.238 29.678 29.700 -0.434 0.000 1.076 428 E HN 0.243 nan 8.360 nan 0.000 0.462 429 N N 0.521 118.583 118.700 -1.064 0.000 2.598 429 N HA 0.302 5.042 4.740 -0.000 0.000 0.263 429 N C -1.996 173.493 175.510 -0.036 0.000 1.254 429 N CA -0.544 52.186 53.050 -0.534 0.000 0.863 429 N CB 2.757 40.940 38.487 -0.507 0.000 1.586 429 N HN 0.050 nan 8.380 nan 0.000 0.491 430 V N 0.741 120.763 119.914 0.181 0.000 2.823 430 V HA 0.344 4.464 4.120 -0.000 0.000 0.312 430 V C -0.638 175.468 176.094 0.021 0.000 1.072 430 V CA -0.501 61.877 62.300 0.130 0.000 0.937 430 V CB 1.716 33.639 31.823 0.168 0.000 1.013 430 V HN 0.821 nan 8.190 nan 0.000 0.430 431 H N 7.964 126.734 119.070 -0.500 0.000 2.964 431 H HA 0.297 4.853 4.556 -0.000 0.000 0.328 431 H C -1.616 173.617 175.328 -0.159 0.000 1.030 431 H CA -0.419 55.280 56.048 -0.581 0.000 1.445 431 H CB 1.625 30.902 29.762 -0.807 0.000 1.449 431 H HN 0.519 nan 8.280 nan 0.000 0.581 432 P HA -0.116 nan 4.420 nan 0.000 0.225 432 P C 0.282 177.622 177.300 0.067 0.000 1.156 432 P CA 0.998 64.074 63.100 -0.039 0.000 0.787 432 P CB 0.603 32.262 31.700 -0.069 0.000 0.802 433 E N -0.404 119.954 120.200 0.263 0.000 2.201 433 E HA 0.102 4.452 4.350 -0.000 0.000 0.193 433 E C 0.555 177.259 176.600 0.173 0.000 0.957 433 E CA 0.457 57.016 56.400 0.265 0.000 0.858 433 E CB 0.188 30.071 29.700 0.304 0.000 0.816 433 E HN 0.109 nan 8.360 nan 0.000 0.475 434 V N 3.092 123.103 119.914 0.161 0.000 2.349 434 V HA 0.075 4.195 4.120 -0.000 0.000 0.284 434 V C 1.133 177.197 176.094 -0.050 0.000 1.014 434 V CA -0.079 62.179 62.300 -0.070 0.000 0.826 434 V CB 1.392 33.057 31.823 -0.264 0.000 1.009 434 V HN 0.171 nan 8.190 nan 0.000 0.431 435 S N 2.382 118.081 115.700 -0.002 0.000 2.507 435 S HA -0.111 4.359 4.470 -0.000 0.000 0.235 435 S C 1.657 176.273 174.600 0.027 0.000 0.988 435 S CA 1.070 59.283 58.200 0.021 0.000 0.944 435 S CB -0.150 63.072 63.200 0.036 0.000 0.762 435 S HN 0.920 nan 8.310 nan 0.000 0.526 436 S N -0.075 115.632 115.700 0.011 0.000 2.556 436 S HA 0.205 4.675 4.470 -0.000 0.000 0.216 436 S C 0.346 174.964 174.600 0.031 0.000 0.970 436 S CA -0.451 57.782 58.200 0.055 0.000 0.912 436 S CB -0.286 62.962 63.200 0.081 0.000 0.790 436 S HN 0.365 nan 8.310 nan 0.000 0.504 437 T N 2.477 116.971 114.554 -0.100 0.000 2.795 437 T HA 0.664 5.014 4.350 -0.000 0.000 0.282 437 T C 0.697 175.249 174.700 -0.248 0.000 0.980 437 T CA 0.253 62.212 62.100 -0.235 0.000 1.012 437 T CB 0.917 69.412 68.868 -0.622 0.000 0.936 437 T HN 0.811 nan 8.240 nan 0.000 0.457 438 G N 3.036 111.811 108.800 -0.041 0.000 2.645 438 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.239 438 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.239 438 G C -0.716 174.217 174.900 0.054 0.000 1.331 438 G CA -0.738 44.428 45.100 0.111 0.000 0.890 438 G HN 0.794 nan 8.290 nan 0.000 0.572 439 R N -0.365 120.148 120.500 0.022 0.000 2.287 439 R HA 0.407 4.747 4.340 -0.000 0.000 0.316 439 R C 0.064 176.499 176.300 0.224 0.000 1.050 439 R CA -0.842 55.257 56.100 -0.001 0.000 0.983 439 R CB 1.110 31.166 30.300 -0.406 0.000 1.140 439 R HN 0.509 nan 8.270 nan 0.000 0.528 440 L N 1.996 123.379 121.223 0.267 0.000 2.540 440 L HA 0.086 4.426 4.340 -0.000 0.000 0.276 440 L C 1.228 178.285 176.870 0.312 0.000 1.212 440 L CA 1.758 56.747 54.840 0.248 0.000 0.893 440 L CB 0.501 42.666 42.059 0.176 0.000 1.138 440 L HN 0.935 nan 8.230 nan 0.000 0.491 441 G N 3.400 112.340 108.800 0.232 0.000 2.148 441 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.254 441 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.254 441 G C 0.627 175.674 174.900 0.246 0.000 0.981 441 G CA 0.872 46.122 45.100 0.250 0.000 0.670 441 G HN 1.150 nan 8.290 nan 0.000 0.528 442 Y N 0.417 120.815 120.300 0.162 0.000 2.241 442 Y HA 0.002 4.552 4.550 -0.000 0.000 0.286 442 Y C 2.114 178.088 175.900 0.123 0.000 1.166 442 Y CA 1.891 60.063 58.100 0.119 0.000 1.203 442 Y CB -0.535 37.918 38.460 -0.011 0.000 0.977 442 Y HN 0.432 nan 8.280 nan 0.000 0.529 443 E N 0.385 120.162 120.200 -0.705 0.000 2.023 443 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 443 E C 1.817 178.230 176.600 -0.313 0.000 1.003 443 E CA 2.086 58.082 56.400 -0.674 0.000 0.809 443 E CB -0.892 28.298 29.700 -0.849 0.000 0.755 443 E HN 0.620 nan 8.360 nan 0.000 0.449 444 Y N -0.675 119.540 120.300 -0.141 0.000 2.224 444 Y HA -0.216 4.334 4.550 -0.000 0.000 0.289 444 Y C 2.325 178.185 175.900 -0.066 0.000 1.146 444 Y CA 1.400 59.425 58.100 -0.124 0.000 1.182 444 Y CB -0.615 37.765 38.460 -0.133 0.000 0.983 444 Y HN 0.164 nan 8.280 nan 0.000 0.524 445 Y N 0.906 121.268 120.300 0.104 0.000 2.184 445 Y HA -0.193 4.357 4.550 -0.000 0.000 0.290 445 Y C 1.875 177.826 175.900 0.085 0.000 1.129 445 Y CA 1.766 59.944 58.100 0.131 0.000 1.144 445 Y CB -0.721 37.911 38.460 0.286 0.000 0.995 445 Y HN 0.133 nan 8.280 nan 0.000 0.513 446 N N -0.071 118.715 118.700 0.144 0.000 2.289 446 N HA -0.185 4.555 4.740 -0.000 0.000 0.184 446 N C 1.801 177.266 175.510 -0.075 0.000 1.016 446 N CA 1.103 54.163 53.050 0.016 0.000 0.872 446 N CB -0.107 38.448 38.487 0.112 0.000 0.973 446 N HN 0.350 nan 8.380 nan 0.000 0.433 447 K N 0.932 121.287 120.400 -0.075 0.000 2.168 447 K HA 0.076 4.396 4.320 -0.000 0.000 0.201 447 K C 1.530 178.068 176.600 -0.104 0.000 1.049 447 K CA 0.500 56.735 56.287 -0.088 0.000 0.974 447 K CB 0.294 32.738 32.500 -0.094 0.000 0.792 447 K HN 0.092 nan 8.250 nan 0.000 0.463 448 L N -0.870 120.265 121.223 -0.147 0.000 2.556 448 L HA 0.268 4.608 4.340 -0.000 0.000 0.226 448 L C 1.029 177.836 176.870 -0.105 0.000 1.089 448 L CA 0.451 55.183 54.840 -0.180 0.000 0.864 448 L CB 0.747 42.538 42.059 -0.447 0.000 1.067 448 L HN 0.515 nan 8.230 nan 0.000 0.477 449 G N 0.339 109.026 108.800 -0.190 0.000 2.143 449 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.249 449 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.249 449 G C -0.039 174.859 174.900 -0.002 0.000 0.981 449 G CA 0.391 45.365 45.100 -0.210 0.000 0.665 449 G HN 0.467 nan 8.290 nan 0.000 0.528 450 Y N -3.212 117.064 120.300 -0.041 0.000 2.641 450 Y HA 0.604 5.154 4.550 -0.000 0.000 0.333 450 Y C -0.565 175.464 175.900 0.214 0.000 1.174 450 Y CA -1.707 56.491 58.100 0.162 0.000 1.057 450 Y CB 0.764 39.262 38.460 0.063 0.000 1.322 450 Y HN 0.433 nan 8.280 nan 0.000 0.457 451 V N 3.756 123.858 119.914 0.313 0.000 2.408 451 V HA 0.386 4.506 4.120 -0.000 0.000 0.267 451 V C -2.130 174.004 176.094 0.067 0.000 1.047 451 V CA -1.655 60.717 62.300 0.120 0.000 0.937 451 V CB 0.553 32.444 31.823 0.114 0.000 0.999 451 V HN 0.628 nan 8.190 nan 0.000 0.472 452 P HA 0.064 nan 4.420 nan 0.000 0.274 452 P C 0.113 177.411 177.300 -0.003 0.000 1.260 452 P CA -0.067 63.023 63.100 -0.016 0.000 0.793 452 P CB 0.612 32.152 31.700 -0.266 0.000 1.048 453 Y N 0.701 120.954 120.300 -0.079 0.000 2.510 453 Y HA 0.038 4.588 4.550 -0.000 0.000 0.273 453 Y C 0.521 176.361 175.900 -0.100 0.000 1.119 453 Y CA 0.615 58.656 58.100 -0.099 0.000 1.286 453 Y CB 0.254 38.666 38.460 -0.080 0.000 1.061 453 Y HN 0.224 nan 8.280 nan 0.000 0.542 454 D N 0.051 120.392 120.400 -0.099 0.000 2.804 454 D HA 0.070 4.710 4.640 -0.000 0.000 0.308 454 D C 0.144 176.349 176.300 -0.159 0.000 1.371 454 D CA 0.239 54.157 54.000 -0.138 0.000 0.823 454 D CB -0.331 40.466 40.800 -0.005 0.000 1.126 454 D HN 0.196 nan 8.370 nan 0.000 0.467 455 V N -2.954 116.824 119.914 -0.226 0.000 3.070 455 V HA 0.443 4.563 4.120 -0.000 0.000 0.345 455 V C 0.289 176.307 176.094 -0.127 0.000 1.403 455 V CA -0.757 61.412 62.300 -0.218 0.000 1.155 455 V CB -0.038 31.471 31.823 -0.522 0.000 1.140 455 V HN 0.006 nan 8.190 nan 0.000 0.505 456 K N 0.200 120.523 120.400 -0.128 0.000 3.339 456 K HA -0.128 4.192 4.320 -0.000 0.000 0.299 456 K C -0.305 176.255 176.600 -0.066 0.000 1.270 456 K CA 1.115 57.352 56.287 -0.084 0.000 0.875 456 K CB -2.353 30.124 32.500 -0.039 0.000 1.298 456 K HN 0.774 nan 8.250 nan 0.000 0.485 457 I N 1.704 122.217 120.570 -0.096 0.000 2.464 457 I HA 0.175 4.345 4.170 -0.000 0.000 0.277 457 I C 0.309 176.372 176.117 -0.091 0.000 1.040 457 I CA -0.849 60.416 61.300 -0.058 0.000 1.153 457 I CB 1.029 39.013 38.000 -0.026 0.000 1.274 457 I HN -0.021 nan 8.210 nan 0.000 0.469 458 N N 5.471 124.134 118.700 -0.061 0.000 2.371 458 N HA 0.072 4.812 4.740 -0.000 0.000 0.243 458 N C 0.410 175.863 175.510 -0.094 0.000 1.287 458 N CA 0.151 53.162 53.050 -0.066 0.000 0.911 458 N CB 0.418 38.944 38.487 0.064 0.000 1.142 458 N HN 0.508 nan 8.380 nan 0.000 0.451 459 E N -0.991 119.110 120.200 -0.166 0.000 2.476 459 E HA -0.257 4.093 4.350 -0.000 0.000 0.251 459 E C 0.386 176.867 176.600 -0.198 0.000 1.130 459 E CA 0.314 56.602 56.400 -0.187 0.000 0.736 459 E CB -1.743 27.895 29.700 -0.103 0.000 1.298 459 E HN 0.675 nan 8.360 nan 0.000 0.400 460 N N 0.607 119.190 118.700 -0.196 0.000 2.142 460 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 460 N C 1.907 177.320 175.510 -0.161 0.000 1.023 460 N CA 1.391 54.354 53.050 -0.145 0.000 0.852 460 N CB -0.205 38.230 38.487 -0.087 0.000 0.998 460 N HN 0.278 nan 8.380 nan 0.000 0.424 461 A N 1.581 124.242 122.820 -0.266 0.000 1.898 461 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 461 A C 2.574 180.042 177.584 -0.194 0.000 1.181 461 A CA 1.793 53.686 52.037 -0.239 0.000 0.620 461 A CB -0.904 17.785 19.000 -0.518 0.000 0.819 461 A HN 0.444 nan 8.150 nan 0.000 0.442 462 A N -0.076 122.538 122.820 -0.343 0.000 1.908 462 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 462 A C 2.241 179.711 177.584 -0.191 0.000 1.181 462 A CA 1.660 53.409 52.037 -0.479 0.000 0.627 462 A CB -0.478 18.193 19.000 -0.549 0.000 0.818 462 A HN 0.559 nan 8.150 nan 0.000 0.445 463 R N -0.973 119.367 120.500 -0.266 0.000 2.073 463 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 463 R C 2.347 178.194 176.300 -0.755 0.000 1.134 463 R CA 1.876 57.621 56.100 -0.592 0.000 0.952 463 R CB -0.869 29.021 30.300 -0.683 0.000 0.850 463 R HN 0.536 nan 8.270 nan 0.000 0.433 464 T N 1.707 116.077 114.554 -0.307 0.000 2.652 464 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 464 T C 1.888 176.718 174.700 0.217 0.000 1.039 464 T CA 1.367 63.499 62.100 0.053 0.000 1.153 464 T CB -0.250 68.763 68.868 0.241 0.000 0.863 464 T HN 0.123 nan 8.240 nan 0.000 0.428 465 L N 0.544 121.892 121.223 0.208 0.000 2.046 465 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 465 L C 2.750 179.871 176.870 0.417 0.000 1.077 465 L CA 1.432 56.484 54.840 0.354 0.000 0.747 465 L CB -0.570 41.699 42.059 0.350 0.000 0.896 465 L HN 0.339 nan 8.230 nan 0.000 0.432 466 E N -0.904 119.504 120.200 0.347 0.000 2.072 466 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 466 E C 2.232 179.056 176.600 0.374 0.000 0.982 466 E CA 0.839 57.485 56.400 0.410 0.000 0.803 466 E CB -0.126 29.819 29.700 0.408 0.000 0.755 466 E HN 0.368 nan 8.360 nan 0.000 0.453 467 Y N 1.078 121.441 120.300 0.105 0.000 2.102 467 Y HA -0.270 4.280 4.550 -0.000 0.000 0.280 467 Y C 2.504 178.489 175.900 0.142 0.000 1.178 467 Y CA 0.886 58.952 58.100 -0.057 0.000 1.146 467 Y CB -1.338 36.782 38.460 -0.567 0.000 0.968 467 Y HN 0.053 nan 8.280 nan 0.000 0.504 468 A N -0.539 122.590 122.820 0.515 0.000 1.883 468 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 468 A C 2.201 179.976 177.584 0.319 0.000 1.186 468 A CA 1.765 54.129 52.037 0.546 0.000 0.624 468 A CB -1.482 17.917 19.000 0.665 0.000 0.822 468 A HN 0.526 nan 8.150 nan 0.000 0.444 469 Y N 1.603 121.988 120.300 0.143 0.000 2.145 469 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 469 Y C 1.820 177.680 175.900 -0.067 0.000 1.145 469 Y CA 1.928 59.917 58.100 -0.184 0.000 1.148 469 Y CB -0.467 38.058 38.460 0.108 0.000 0.981 469 Y HN 0.381 nan 8.280 nan 0.000 0.507 470 D N 0.307 120.513 120.400 -0.323 0.000 2.133 470 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 470 D C 1.709 177.834 176.300 -0.292 0.000 0.997 470 D CA 1.752 55.494 54.000 -0.431 0.000 0.840 470 D CB -0.399 40.278 40.800 -0.204 0.000 0.947 470 D HN 0.487 nan 8.370 nan 0.000 0.452 471 D N -0.476 119.895 120.400 -0.048 0.000 2.144 471 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 471 D C 1.866 178.191 176.300 0.041 0.000 0.978 471 D CA 0.354 54.410 54.000 0.094 0.000 0.833 471 D CB -0.393 40.628 40.800 0.368 0.000 0.961 471 D HN 0.356 nan 8.370 nan 0.000 0.470 472 W N 1.341 122.509 121.300 -0.220 0.000 2.342 472 W HA -0.254 4.406 4.660 -0.000 0.000 0.297 472 W C 2.170 178.538 176.519 -0.252 0.000 1.213 472 W CA 1.053 58.225 57.345 -0.288 0.000 1.251 472 W CB -0.380 28.782 29.460 -0.497 0.000 1.136 472 W HN -0.048 nan 8.180 nan 0.000 0.526 473 C N 0.258 119.290 119.300 -0.446 0.000 2.446 473 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 473 C C 2.698 177.316 174.990 -0.620 0.000 1.275 473 C CA 1.157 59.773 59.018 -0.669 0.000 1.727 473 C CB -1.443 25.947 27.740 -0.583 0.000 2.010 473 C HN 0.362 nan 8.230 nan 0.000 0.486 474 I N -0.013 120.233 120.570 -0.540 0.000 2.226 474 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 474 I C 2.509 178.322 176.117 -0.507 0.000 1.100 474 I CA 1.912 62.837 61.300 -0.625 0.000 1.374 474 I CB -0.693 36.733 38.000 -0.957 0.000 1.057 474 I HN 0.398 nan 8.210 nan 0.000 0.413 475 Y N 2.131 122.149 120.300 -0.469 0.000 2.114 475 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 475 Y C 2.742 178.412 175.900 -0.384 0.000 1.165 475 Y CA 1.621 59.546 58.100 -0.292 0.000 1.148 475 Y CB -0.208 38.112 38.460 -0.234 0.000 0.972 475 Y HN -0.029 nan 8.280 nan 0.000 0.504 476 R N -0.010 119.998 120.500 -0.820 0.000 2.073 476 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 476 R C 2.237 178.201 176.300 -0.560 0.000 1.134 476 R CA 1.539 57.150 56.100 -0.816 0.000 0.952 476 R CB -1.188 28.569 30.300 -0.905 0.000 0.850 476 R HN 0.439 nan 8.270 nan 0.000 0.433 477 L N 0.811 121.751 121.223 -0.472 0.000 2.093 477 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 477 L C 2.233 178.912 176.870 -0.318 0.000 1.085 477 L CA 1.853 56.478 54.840 -0.358 0.000 0.755 477 L CB -0.767 41.091 42.059 -0.336 0.000 0.904 477 L HN 0.127 nan 8.230 nan 0.000 0.435 478 A N -0.465 122.189 122.820 -0.276 0.000 1.877 478 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 478 A C 2.458 179.872 177.584 -0.283 0.000 1.186 478 A CA 1.985 53.882 52.037 -0.234 0.000 0.620 478 A CB -0.657 18.307 19.000 -0.060 0.000 0.822 478 A HN 0.484 nan 8.150 nan 0.000 0.443 479 K N -0.446 119.730 120.400 -0.374 0.000 2.063 479 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 479 K C 2.008 178.470 176.600 -0.231 0.000 1.048 479 K CA 1.884 57.977 56.287 -0.323 0.000 0.928 479 K CB -0.126 32.077 32.500 -0.495 0.000 0.713 479 K HN 0.412 nan 8.250 nan 0.000 0.442 480 E N 0.446 120.499 120.200 -0.245 0.000 2.072 480 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 480 E C 1.548 178.064 176.600 -0.139 0.000 0.985 480 E CA 1.029 57.336 56.400 -0.154 0.000 0.801 480 E CB -0.065 29.562 29.700 -0.120 0.000 0.750 480 E HN 0.216 nan 8.360 nan 0.000 0.452 481 L N 0.812 121.904 121.223 -0.218 0.000 2.554 481 L HA 0.196 4.536 4.340 -0.000 0.000 0.226 481 L C 0.267 177.012 176.870 -0.209 0.000 1.137 481 L CA 0.888 55.585 54.840 -0.239 0.000 0.863 481 L CB -0.491 41.330 42.059 -0.397 0.000 0.985 481 L HN 0.152 nan 8.230 nan 0.000 0.451 482 K N -0.024 120.266 120.400 -0.184 0.000 3.161 482 K HA -0.162 4.158 4.320 -0.000 0.000 0.270 482 K C -0.109 176.399 176.600 -0.152 0.000 1.115 482 K CA 0.095 56.300 56.287 -0.137 0.000 0.789 482 K CB -0.933 31.508 32.500 -0.098 0.000 1.256 482 K HN 0.166 nan 8.250 nan 0.000 0.492 483 R N 0.053 120.433 120.500 -0.200 0.000 2.827 483 R HA 0.160 4.500 4.340 -0.000 0.000 0.269 483 R C -2.078 174.176 176.300 -0.077 0.000 1.048 483 R CA -1.709 54.284 56.100 -0.177 0.000 1.173 483 R CB -0.593 29.579 30.300 -0.212 0.000 1.070 483 R HN 0.012 nan 8.270 nan 0.000 0.498 484 P HA 0.009 nan 4.420 nan 0.000 0.267 484 P C 0.657 177.967 177.300 0.017 0.000 1.200 484 P CA 0.440 63.535 63.100 -0.009 0.000 0.772 484 P CB 0.378 32.081 31.700 0.004 0.000 0.855 485 K N 2.364 122.777 120.400 0.021 0.000 2.063 485 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 485 K C 2.244 178.878 176.600 0.057 0.000 1.048 485 K CA 2.676 58.989 56.287 0.042 0.000 0.928 485 K CB -1.965 30.556 32.500 0.036 0.000 0.713 485 K HN 0.518 nan 8.250 nan 0.000 0.442 486 K N 1.350 121.774 120.400 0.040 0.000 2.059 486 K HA -0.242 4.078 4.320 -0.000 0.000 0.212 486 K C 2.232 178.862 176.600 0.051 0.000 1.050 486 K CA 2.101 58.409 56.287 0.035 0.000 0.927 486 K CB -0.810 31.702 32.500 0.019 0.000 0.714 486 K HN 0.820 nan 8.250 nan 0.000 0.447 487 E N -0.351 119.899 120.200 0.083 0.000 2.047 487 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 487 E C 2.197 178.948 176.600 0.251 0.000 0.987 487 E CA 1.147 57.642 56.400 0.158 0.000 0.799 487 E CB -0.240 29.593 29.700 0.221 0.000 0.752 487 E HN 0.575 nan 8.360 nan 0.000 0.449 488 I N 0.914 121.613 120.570 0.215 0.000 2.163 488 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 488 I C 2.430 178.756 176.117 0.350 0.000 1.085 488 I CA 0.911 62.378 61.300 0.278 0.000 1.347 488 I CB -0.211 37.884 38.000 0.159 0.000 1.044 488 I HN 0.017 nan 8.210 nan 0.000 0.408 489 S N 0.705 116.532 115.700 0.212 0.000 2.370 489 S HA -0.195 4.275 4.470 -0.000 0.000 0.226 489 S C 1.892 176.554 174.600 0.102 0.000 1.033 489 S CA 1.396 59.692 58.200 0.159 0.000 1.011 489 S CB -0.426 62.826 63.200 0.088 0.000 0.852 489 S HN 0.329 nan 8.310 nan 0.000 0.457 490 L N 0.792 122.024 121.223 0.014 0.000 2.017 490 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 490 L C 1.712 178.467 176.870 -0.192 0.000 1.073 490 L CA 1.857 56.598 54.840 -0.166 0.000 0.745 490 L CB -0.777 41.066 42.059 -0.360 0.000 0.894 490 L HN 0.217 nan 8.230 nan 0.000 0.432 491 F N -0.287 119.744 119.950 0.136 0.000 2.367 491 F HA 0.081 4.608 4.527 -0.000 0.000 0.298 491 F C 2.470 178.359 175.800 0.148 0.000 1.094 491 F CA 0.832 58.917 58.000 0.143 0.000 1.409 491 F CB -1.175 37.903 39.000 0.131 0.000 1.064 491 F HN 0.172 nan 8.300 nan 0.000 0.528 492 A N 0.140 123.144 122.820 0.306 0.000 1.908 492 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 492 A C 2.316 180.043 177.584 0.238 0.000 1.181 492 A CA 1.894 54.029 52.037 0.163 0.000 0.627 492 A CB -0.680 18.429 19.000 0.182 0.000 0.818 492 A HN 0.332 nan 8.150 nan 0.000 0.445 493 K N -0.510 119.978 120.400 0.148 0.000 2.001 493 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 493 K C 2.317 178.983 176.600 0.109 0.000 1.048 493 K CA 1.363 57.705 56.287 0.091 0.000 0.932 493 K CB -0.206 32.306 32.500 0.019 0.000 0.715 493 K HN 0.423 nan 8.250 nan 0.000 0.437 494 R N 0.088 120.653 120.500 0.108 0.000 2.105 494 R HA -0.111 4.229 4.340 -0.000 0.000 0.239 494 R C 2.347 178.828 176.300 0.302 0.000 1.135 494 R CA 1.192 57.385 56.100 0.155 0.000 0.967 494 R CB -0.421 29.994 30.300 0.192 0.000 0.861 494 R HN 0.270 nan 8.270 nan 0.000 0.442 495 A N 0.723 123.750 122.820 0.345 0.000 2.032 495 A HA -0.165 4.154 4.320 -0.000 0.000 0.221 495 A C 1.819 179.755 177.584 0.587 0.000 1.165 495 A CA 1.386 53.696 52.037 0.455 0.000 0.645 495 A CB -0.212 19.015 19.000 0.379 0.000 0.807 495 A HN 0.136 nan 8.150 nan 0.000 0.453 496 M N 0.079 119.895 119.600 0.360 0.000 2.494 496 M HA 0.103 4.583 4.480 -0.000 0.000 0.232 496 M C 0.762 176.999 176.300 -0.104 0.000 1.137 496 M CA 0.135 55.505 55.300 0.118 0.000 1.012 496 M CB -1.014 31.612 32.600 0.044 0.000 1.567 496 M HN 0.305 nan 8.290 nan 0.000 0.486 497 N N 0.348 119.114 118.700 0.110 0.000 2.520 497 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 497 N C 1.491 177.076 175.510 0.126 0.000 1.068 497 N CA 0.789 53.892 53.050 0.087 0.000 0.911 497 N CB -0.311 38.257 38.487 0.135 0.000 0.961 497 N HN 0.604 nan 8.380 nan 0.000 0.446 498 Y N 0.738 121.193 120.300 0.259 0.000 2.333 498 Y HA -0.042 4.508 4.550 -0.000 0.000 0.290 498 Y C 1.650 177.647 175.900 0.162 0.000 1.144 498 Y CA 0.974 59.213 58.100 0.231 0.000 1.228 498 Y CB -0.525 38.076 38.460 0.235 0.000 0.985 498 Y HN -0.111 nan 8.280 nan 0.000 0.542 499 K N 0.660 120.806 120.400 -0.424 0.000 2.280 499 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 499 K C 1.296 177.908 176.600 0.019 0.000 1.047 499 K CA 1.111 57.292 56.287 -0.176 0.000 0.942 499 K CB -0.284 32.019 32.500 -0.328 0.000 0.739 499 K HN 0.378 nan 8.250 nan 0.000 0.457 500 N N 0.816 119.513 118.700 -0.004 0.000 2.519 500 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 500 N C 1.067 176.523 175.510 -0.091 0.000 1.062 500 N CA 0.960 53.977 53.050 -0.055 0.000 0.910 500 N CB 0.149 38.621 38.487 -0.025 0.000 0.958 500 N HN 0.257 nan 8.380 nan 0.000 0.445 501 L N -0.900 120.379 121.223 0.094 0.000 2.906 501 L HA 0.275 4.615 4.340 -0.000 0.000 0.255 501 L C -0.134 176.863 176.870 0.211 0.000 1.166 501 L CA -0.353 54.587 54.840 0.166 0.000 0.977 501 L CB 0.219 42.351 42.059 0.121 0.000 1.313 501 L HN -0.072 nan 8.230 nan 0.000 0.549 502 F N 1.672 121.659 119.950 0.063 0.000 2.438 502 F HA 0.220 4.747 4.527 -0.000 0.000 0.356 502 F C 0.322 175.965 175.800 -0.261 0.000 1.099 502 F CA -0.607 57.340 58.000 -0.087 0.000 1.185 502 F CB 0.703 39.685 39.000 -0.030 0.000 1.115 502 F HN -0.107 nan 8.300 nan 0.000 0.526 503 D N 5.427 125.138 120.400 -1.148 0.000 2.427 503 D HA 0.204 4.844 4.640 -0.000 0.000 0.226 503 D C 0.577 176.347 176.300 -0.883 0.000 1.076 503 D CA -0.420 52.867 54.000 -1.188 0.000 0.849 503 D CB 1.142 41.040 40.800 -1.503 0.000 1.052 503 D HN 0.568 nan 8.370 nan 0.000 0.515 504 K N 2.516 122.671 120.400 -0.408 0.000 2.074 504 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 504 K C 1.644 178.110 176.600 -0.223 0.000 1.048 504 K CA 1.559 57.752 56.287 -0.157 0.000 0.926 504 K CB 0.036 32.520 32.500 -0.027 0.000 0.713 504 K HN 0.581 nan 8.250 nan 0.000 0.444 505 E N 1.204 121.240 120.200 -0.274 0.000 2.070 505 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 505 E C 1.580 178.047 176.600 -0.221 0.000 1.004 505 E CA 2.081 58.354 56.400 -0.212 0.000 0.805 505 E CB 0.006 29.578 29.700 -0.213 0.000 0.744 505 E HN 0.399 nan 8.360 nan 0.000 0.451 506 S N -0.592 114.902 115.700 -0.344 0.000 2.503 506 S HA 0.138 4.608 4.470 -0.000 0.000 0.217 506 S C 0.668 175.055 174.600 -0.355 0.000 0.999 506 S CA 0.379 58.404 58.200 -0.292 0.000 0.914 506 S CB 0.151 63.204 63.200 -0.244 0.000 0.782 506 S HN 0.325 nan 8.310 nan 0.000 0.520 507 K N 0.250 120.363 120.400 -0.479 0.000 3.230 507 K HA -0.112 4.208 4.320 -0.000 0.000 0.285 507 K C -0.825 175.388 176.600 -0.644 0.000 1.196 507 K CA 0.607 56.640 56.287 -0.423 0.000 0.838 507 K CB -1.902 30.542 32.500 -0.093 0.000 1.262 507 K HN 0.450 nan 8.250 nan 0.000 0.492 508 L N -0.325 120.341 121.223 -0.930 0.000 2.341 508 L HA 0.543 4.883 4.340 -0.000 0.000 0.254 508 L C 0.182 176.597 176.870 -0.758 0.000 1.040 508 L CA -1.467 52.919 54.840 -0.757 0.000 0.837 508 L CB 1.298 42.965 42.059 -0.652 0.000 1.425 508 L HN -0.115 nan 8.230 nan 0.000 0.414 509 M N 1.580 120.937 119.600 -0.404 0.000 2.242 509 M HA 0.380 4.860 4.480 -0.000 0.000 0.344 509 M C -0.382 175.862 176.300 -0.092 0.000 1.140 509 M CA 0.312 55.516 55.300 -0.161 0.000 1.160 509 M CB 0.701 33.351 32.600 0.083 0.000 1.491 509 M HN 0.499 nan 8.290 nan 0.000 0.459 510 R N 0.255 120.665 120.500 -0.151 0.000 2.536 510 R HA 0.469 4.809 4.340 -0.000 0.000 0.269 510 R C -0.403 175.810 176.300 -0.145 0.000 1.113 510 R CA -0.411 55.477 56.100 -0.353 0.000 0.948 510 R CB 1.436 31.070 30.300 -1.111 0.000 1.237 510 R HN 0.921 nan 8.270 nan 0.000 0.441 511 G N 2.980 111.645 108.800 -0.224 0.000 2.321 511 G HA2 0.040 4.000 3.960 -0.000 0.000 0.237 511 G HA3 0.040 4.000 3.960 -0.000 0.000 0.237 511 G C -0.625 174.176 174.900 -0.166 0.000 1.282 511 G CA -0.124 44.844 45.100 -0.219 0.000 0.886 511 G HN 0.553 nan 8.290 nan 0.000 0.528 512 R N 1.990 122.420 120.500 -0.117 0.000 2.437 512 R HA 0.189 4.529 4.340 -0.000 0.000 0.310 512 R C -0.168 176.132 176.300 -0.001 0.000 0.955 512 R CA -0.861 55.070 56.100 -0.281 0.000 0.851 512 R CB 0.715 30.517 30.300 -0.830 0.000 1.161 512 R HN 0.585 nan 8.270 nan 0.000 0.446 513 N N 1.932 120.615 118.700 -0.028 0.000 2.415 513 N HA -0.088 4.652 4.740 -0.000 0.000 0.248 513 N C 0.668 176.233 175.510 0.092 0.000 1.271 513 N CA 0.088 53.178 53.050 0.066 0.000 0.913 513 N CB 0.828 39.333 38.487 0.030 0.000 1.129 513 N HN 0.713 nan 8.380 nan 0.000 0.444 514 E N 0.272 120.484 120.200 0.020 0.000 2.267 514 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 514 E C 0.178 176.785 176.600 0.012 0.000 0.998 514 E CA 1.151 57.531 56.400 -0.033 0.000 0.830 514 E CB 0.124 29.765 29.700 -0.098 0.000 0.751 514 E HN 0.558 nan 8.360 nan 0.000 0.491 515 D N -1.736 118.671 120.400 0.013 0.000 2.340 515 D HA 0.047 4.687 4.640 -0.000 0.000 0.220 515 D C 1.280 177.577 176.300 -0.004 0.000 1.039 515 D CA 0.851 54.853 54.000 0.003 0.000 0.866 515 D CB 0.503 41.299 40.800 -0.006 0.000 0.913 515 D HN 0.292 nan 8.370 nan 0.000 0.523 516 G N -0.001 108.797 108.800 -0.002 0.000 2.259 516 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 516 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 516 G C 0.511 175.259 174.900 -0.255 0.000 1.001 516 G CA 0.160 45.207 45.100 -0.089 0.000 0.627 516 G HN 0.754 nan 8.290 nan 0.000 0.501 517 T N -0.198 114.253 114.554 -0.172 0.000 2.913 517 T HA 0.619 4.969 4.350 -0.000 0.000 0.297 517 T C 0.312 174.856 174.700 -0.261 0.000 1.029 517 T CA -0.450 61.546 62.100 -0.174 0.000 1.104 517 T CB 1.268 70.096 68.868 -0.066 0.000 0.964 517 T HN 0.265 nan 8.240 nan 0.000 0.532 518 F N 2.352 122.200 119.950 -0.171 0.000 2.459 518 F HA 0.305 4.832 4.527 -0.000 0.000 0.346 518 F C 1.107 176.763 175.800 -0.239 0.000 1.128 518 F CA -0.476 57.373 58.000 -0.252 0.000 1.268 518 F CB 0.772 39.583 39.000 -0.316 0.000 1.161 518 F HN 0.686 nan 8.300 nan 0.000 0.583 519 Q N 1.234 120.961 119.800 -0.123 0.000 2.352 519 Q HA 0.515 4.855 4.340 -0.000 0.000 0.260 519 Q C -0.917 175.008 176.000 -0.125 0.000 0.976 519 Q CA -0.448 55.213 55.803 -0.237 0.000 0.881 519 Q CB 1.057 29.332 28.738 -0.772 0.000 1.235 519 Q HN 0.537 nan 8.270 nan 0.000 0.419 520 S N 0.960 116.629 115.700 -0.052 0.000 2.588 520 S HA 0.796 5.266 4.470 -0.000 0.000 0.275 520 S C -2.467 172.150 174.600 0.028 0.000 1.130 520 S CA -1.391 56.815 58.200 0.009 0.000 0.855 520 S CB 0.520 63.730 63.200 0.017 0.000 1.116 520 S HN 0.754 nan 8.310 nan 0.000 0.472 521 P HA 0.418 nan 4.420 nan 0.000 0.275 521 P C -1.349 175.999 177.300 0.080 0.000 1.228 521 P CA -0.311 62.818 63.100 0.049 0.000 0.786 521 P CB 0.173 31.892 31.700 0.032 0.000 0.927 522 F N 1.200 121.100 119.950 -0.083 0.000 2.436 522 F HA 0.506 5.033 4.527 -0.000 0.000 0.340 522 F C -0.321 175.439 175.800 -0.068 0.000 1.113 522 F CA -0.659 57.276 58.000 -0.108 0.000 1.022 522 F CB 1.651 40.555 39.000 -0.161 0.000 1.128 522 F HN 0.283 nan 8.300 nan 0.000 0.466 523 S N 7.834 123.107 115.700 -0.712 0.000 2.756 523 S HA 0.417 4.887 4.470 -0.000 0.000 0.303 523 S C -1.887 172.199 174.600 -0.856 0.000 1.135 523 S CA -1.522 56.250 58.200 -0.713 0.000 1.066 523 S CB 1.288 64.340 63.200 -0.247 0.000 1.008 523 S HN 0.551 nan 8.310 nan 0.000 0.482 524 P HA -0.055 nan 4.420 nan 0.000 0.226 524 P C 0.885 178.087 177.300 -0.164 0.000 1.146 524 P CA 0.814 63.530 63.100 -0.640 0.000 0.773 524 P CB 0.093 31.398 31.700 -0.659 0.000 0.772 525 L N -1.426 119.782 121.223 -0.025 0.000 2.607 525 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 525 L C 1.419 178.466 176.870 0.295 0.000 1.123 525 L CA -0.093 54.856 54.840 0.181 0.000 0.890 525 L CB -0.214 41.955 42.059 0.183 0.000 1.103 525 L HN -0.134 nan 8.230 nan 0.000 0.468 526 K N 0.781 121.288 120.400 0.179 0.000 2.349 526 K HA 0.044 4.364 4.320 -0.000 0.000 0.289 526 K C -0.914 175.936 176.600 0.417 0.000 1.064 526 K CA -0.533 55.935 56.287 0.302 0.000 0.947 526 K CB 0.473 33.078 32.500 0.175 0.000 1.007 526 K HN -0.107 nan 8.250 nan 0.000 0.478 527 W N 3.018 124.475 121.300 0.262 0.000 2.161 527 W HA 0.311 4.971 4.660 -0.000 0.000 0.344 527 W C 1.127 177.791 176.519 0.242 0.000 1.262 527 W CA 1.268 58.811 57.345 0.330 0.000 1.270 527 W CB 0.283 29.991 29.460 0.413 0.000 1.126 527 W HN 0.978 nan 8.180 nan 0.000 0.598 528 G N 1.541 110.572 108.800 0.385 0.000 2.569 528 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.259 528 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.259 528 G C 0.446 174.971 174.900 -0.625 0.000 1.263 528 G CA 1.044 45.994 45.100 -0.250 0.000 0.928 528 G HN 0.837 nan 8.290 nan 0.000 0.572 529 D N -2.676 116.709 120.400 -1.690 0.000 4.543 529 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 529 D C 2.169 178.210 176.300 -0.432 0.000 0.625 529 D CA 4.268 57.760 54.000 -0.848 0.000 1.383 529 D CB -1.555 39.090 40.800 -0.259 0.000 0.867 529 D HN 1.857 nan 8.370 nan 0.000 0.458 530 A N -0.552 122.093 122.820 -0.292 0.000 1.968 530 A HA 0.256 4.576 4.320 -0.000 0.000 0.217 530 A C 1.169 178.289 177.584 -0.773 0.000 1.169 530 A CA 1.443 53.164 52.037 -0.526 0.000 0.638 530 A CB -0.292 18.237 19.000 -0.784 0.000 0.812 530 A HN 0.261 nan 8.150 nan 0.000 0.446 531 F N -1.542 118.326 119.950 -0.138 0.000 2.585 531 F HA 0.552 5.079 4.527 -0.000 0.000 0.350 531 F C 0.327 176.089 175.800 -0.064 0.000 1.074 531 F CA -0.779 57.133 58.000 -0.146 0.000 1.032 531 F CB 1.122 40.114 39.000 -0.014 0.000 1.330 531 F HN -0.318 nan 8.300 nan 0.000 0.495 532 T N 0.838 115.595 114.554 0.337 0.000 2.792 532 T HA 0.291 4.641 4.350 -0.000 0.000 0.280 532 T C -0.472 174.480 174.700 0.419 0.000 0.990 532 T CA -0.599 61.683 62.100 0.304 0.000 0.960 532 T CB 1.254 70.276 68.868 0.257 0.000 0.939 532 T HN 0.553 nan 8.240 nan 0.000 0.439 533 E N 0.425 120.813 120.200 0.314 0.000 2.722 533 E HA -0.190 4.160 4.350 -0.000 0.000 0.265 533 E C 0.364 177.001 176.600 0.063 0.000 1.081 533 E CA 1.353 57.900 56.400 0.244 0.000 0.781 533 E CB -1.393 28.456 29.700 0.248 0.000 1.372 533 E HN 1.110 nan 8.360 nan 0.000 0.423 534 G N -0.300 108.490 108.800 -0.016 0.000 2.340 534 G HA2 0.397 4.357 3.960 -0.000 0.000 0.299 534 G HA3 0.397 4.357 3.960 -0.000 0.000 0.299 534 G C -0.968 173.716 174.900 -0.360 0.000 1.291 534 G CA -0.148 44.611 45.100 -0.568 0.000 0.841 534 G HN 0.142 nan 8.290 nan 0.000 0.500 535 N N -1.760 116.687 118.700 -0.421 0.000 3.002 535 N HA 0.591 5.331 4.740 -0.000 0.000 0.331 535 N C 1.252 176.325 175.510 -0.728 0.000 1.384 535 N CA 0.253 53.048 53.050 -0.424 0.000 0.780 535 N CB 1.170 39.410 38.487 -0.411 0.000 1.492 535 N HN 0.588 nan 8.380 nan 0.000 0.608 536 S N -1.242 113.980 115.700 -0.798 0.000 2.383 536 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 536 S C 1.006 175.194 174.600 -0.685 0.000 1.030 536 S CA 1.013 58.608 58.200 -1.009 0.000 1.002 536 S CB -0.623 62.326 63.200 -0.418 0.000 0.829 536 S HN 0.562 nan 8.310 nan 0.000 0.467 537 W N 0.862 121.834 121.300 -0.547 0.000 2.392 537 W HA -0.044 4.616 4.660 -0.000 0.000 0.279 537 W C 2.234 178.574 176.519 -0.299 0.000 1.225 537 W CA 1.211 58.303 57.345 -0.422 0.000 1.233 537 W CB -0.263 28.934 29.460 -0.438 0.000 1.122 537 W HN 0.581 nan 8.180 nan 0.000 0.561 538 H N -3.644 115.388 119.070 -0.063 0.000 2.384 538 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 538 H C 1.371 176.631 175.328 -0.114 0.000 1.057 538 H CA 1.357 57.341 56.048 -0.107 0.000 1.370 538 H CB -0.362 29.214 29.762 -0.311 0.000 1.417 538 H HN 0.101 nan 8.280 nan 0.000 0.527 539 Y N 0.405 120.573 120.300 -0.220 0.000 2.517 539 Y HA -0.062 4.488 4.550 -0.000 0.000 0.281 539 Y C 2.119 177.881 175.900 -0.230 0.000 1.125 539 Y CA 0.384 58.380 58.100 -0.173 0.000 1.283 539 Y CB 0.497 38.822 38.460 -0.225 0.000 1.042 539 Y HN 0.118 nan 8.280 nan 0.000 0.547 540 T N -0.762 113.569 114.554 -0.373 0.000 2.881 540 T HA -0.228 4.122 4.350 -0.000 0.000 0.270 540 T C 0.840 175.248 174.700 -0.487 0.000 1.068 540 T CA 1.600 63.389 62.100 -0.517 0.000 1.131 540 T CB -0.413 67.921 68.868 -0.891 0.000 0.871 540 T HN 0.494 nan 8.240 nan 0.000 0.479 541 W N 1.337 122.598 121.300 -0.064 0.000 3.180 541 W HA 0.254 4.914 4.660 -0.000 0.000 0.254 541 W C 1.159 177.597 176.519 -0.135 0.000 1.318 541 W CA -0.499 56.783 57.345 -0.106 0.000 1.608 541 W CB -0.285 29.038 29.460 -0.228 0.000 1.124 541 W HN -0.049 nan 8.180 nan 0.000 0.694 542 S N 1.259 116.943 115.700 -0.026 0.000 4.069 542 S HA 0.199 4.669 4.470 -0.000 0.000 0.192 542 S C 0.207 174.568 174.600 -0.398 0.000 1.441 542 S CA 0.033 58.025 58.200 -0.347 0.000 0.994 542 S CB -0.449 62.848 63.200 0.161 0.000 1.456 542 S HN -0.048 nan 8.310 nan 0.000 0.458 543 V N 2.561 122.135 119.914 -0.567 0.000 2.468 543 V HA 0.221 4.341 4.120 -0.000 0.000 0.256 543 V C 0.461 176.253 176.094 -0.503 0.000 0.998 543 V CA -0.473 61.508 62.300 -0.532 0.000 1.114 543 V CB -0.717 30.613 31.823 -0.822 0.000 1.378 543 V HN 0.600 nan 8.190 nan 0.000 0.573 544 F N 0.723 120.539 119.950 -0.223 0.000 2.154 544 F HA -0.214 4.313 4.527 -0.000 0.000 0.301 544 F C 2.515 178.166 175.800 -0.249 0.000 1.087 544 F CA 2.139 59.941 58.000 -0.330 0.000 1.274 544 F CB -0.425 38.194 39.000 -0.635 0.000 1.009 544 F HN 0.635 nan 8.300 nan 0.000 0.485 545 H N -2.287 116.644 119.070 -0.232 0.000 2.548 545 H HA 0.167 4.723 4.556 -0.000 0.000 0.265 545 H C -0.157 175.051 175.328 -0.200 0.000 0.969 545 H CA 0.888 56.640 56.048 -0.495 0.000 1.155 545 H CB -0.206 28.873 29.762 -1.139 0.000 1.394 545 H HN 0.223 nan 8.280 nan 0.000 0.570 546 D N 0.377 120.437 120.400 -0.567 0.000 3.060 546 D HA 0.213 4.853 4.640 -0.000 0.000 0.326 546 D C -2.127 173.936 176.300 -0.395 0.000 1.253 546 D CA -1.770 52.001 54.000 -0.382 0.000 0.737 546 D CB 0.885 41.491 40.800 -0.322 0.000 1.260 546 D HN -0.006 nan 8.370 nan 0.000 0.542 547 P HA -0.128 nan 4.420 nan 0.000 0.219 547 P C 1.399 178.482 177.300 -0.361 0.000 1.150 547 P CA 0.829 63.658 63.100 -0.452 0.000 0.814 547 P CB 0.445 31.659 31.700 -0.811 0.000 0.787 548 Q N 0.387 120.055 119.800 -0.220 0.000 2.135 548 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 548 Q C 2.180 178.064 176.000 -0.193 0.000 0.981 548 Q CA 2.305 57.997 55.803 -0.186 0.000 0.856 548 Q CB -1.622 27.052 28.738 -0.106 0.000 0.902 548 Q HN 0.183 nan 8.270 nan 0.000 0.425 549 G N 0.531 109.237 108.800 -0.157 0.000 2.440 549 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 549 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 549 G C 1.323 176.150 174.900 -0.121 0.000 1.154 549 G CA 1.000 46.051 45.100 -0.081 0.000 0.767 549 G HN 0.427 nan 8.290 nan 0.000 0.552 550 L N 0.653 121.748 121.223 -0.213 0.000 2.056 550 L HA 0.171 4.511 4.340 -0.000 0.000 0.207 550 L C 2.650 179.374 176.870 -0.242 0.000 1.078 550 L CA 1.167 55.866 54.840 -0.235 0.000 0.749 550 L CB -0.343 41.602 42.059 -0.191 0.000 0.901 550 L HN 0.256 nan 8.230 nan 0.000 0.433 551 I N -0.313 120.027 120.570 -0.385 0.000 2.286 551 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 551 I C 1.838 177.850 176.117 -0.174 0.000 1.115 551 I CA 1.263 62.313 61.300 -0.417 0.000 1.392 551 I CB -0.510 37.136 38.000 -0.589 0.000 1.065 551 I HN 0.287 nan 8.210 nan 0.000 0.418 552 D N 0.734 121.027 120.400 -0.177 0.000 2.178 552 D HA -0.103 4.537 4.640 -0.000 0.000 0.202 552 D C 2.280 178.494 176.300 -0.144 0.000 0.974 552 D CA 1.155 55.080 54.000 -0.126 0.000 0.841 552 D CB -0.093 40.637 40.800 -0.116 0.000 0.953 552 D HN 0.331 nan 8.370 nan 0.000 0.478 553 L N -0.329 120.736 121.223 -0.264 0.000 2.240 553 L HA 0.074 4.414 4.340 -0.000 0.000 0.211 553 L C 2.002 178.725 176.870 -0.246 0.000 1.106 553 L CA 0.509 55.080 54.840 -0.448 0.000 0.793 553 L CB -0.093 41.282 42.059 -1.141 0.000 0.927 553 L HN -0.074 nan 8.230 nan 0.000 0.446 554 M N -0.375 119.183 119.600 -0.070 0.000 2.571 554 M HA 0.196 4.676 4.480 -0.000 0.000 0.235 554 M C 0.981 177.389 176.300 0.180 0.000 1.216 554 M CA 0.426 55.847 55.300 0.202 0.000 0.979 554 M CB 0.329 33.141 32.600 0.353 0.000 1.616 554 M HN 0.390 nan 8.290 nan 0.000 0.469 555 G N 0.298 109.161 108.800 0.104 0.000 2.159 555 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.227 555 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.227 555 G C 0.364 175.314 174.900 0.084 0.000 0.986 555 G CA -0.113 45.043 45.100 0.094 0.000 0.651 555 G HN 0.919 nan 8.290 nan 0.000 0.523 556 G N -0.420 108.423 108.800 0.071 0.000 2.661 556 G HA2 0.254 4.214 3.960 -0.000 0.000 0.685 556 G HA3 0.254 4.214 3.960 -0.000 0.000 0.685 556 G C 0.682 175.649 174.900 0.113 0.000 1.298 556 G CA 0.619 45.753 45.100 0.058 0.000 0.855 556 G HN 1.466 nan 8.290 nan 0.000 0.560 557 K N 0.023 120.476 120.400 0.089 0.000 2.148 557 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 557 K C 1.929 178.662 176.600 0.223 0.000 1.050 557 K CA 1.885 58.254 56.287 0.136 0.000 0.942 557 K CB -0.004 32.545 32.500 0.082 0.000 0.724 557 K HN 0.651 nan 8.250 nan 0.000 0.446 558 E N 0.761 121.064 120.200 0.172 0.000 2.072 558 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 558 E C 2.092 178.806 176.600 0.190 0.000 0.985 558 E CA 0.964 57.467 56.400 0.171 0.000 0.801 558 E CB -0.062 29.716 29.700 0.131 0.000 0.750 558 E HN 0.299 nan 8.360 nan 0.000 0.452 559 M N 0.096 119.808 119.600 0.186 0.000 2.296 559 M HA -0.025 4.455 4.480 -0.000 0.000 0.265 559 M C 1.688 178.136 176.300 0.246 0.000 1.064 559 M CA 1.197 56.609 55.300 0.187 0.000 1.109 559 M CB -0.421 32.274 32.600 0.159 0.000 1.396 559 M HN 0.284 nan 8.290 nan 0.000 0.430 560 F N -0.685 119.345 119.950 0.133 0.000 2.146 560 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 560 F C 1.760 177.671 175.800 0.184 0.000 1.096 560 F CA 1.439 59.540 58.000 0.168 0.000 1.275 560 F CB -0.246 38.832 39.000 0.130 0.000 1.008 560 F HN -0.064 nan 8.300 nan 0.000 0.480 561 V N -0.102 119.976 119.914 0.273 0.000 2.407 561 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 561 V C 2.279 178.469 176.094 0.161 0.000 1.055 561 V CA 2.324 64.748 62.300 0.206 0.000 1.049 561 V CB -1.070 30.924 31.823 0.285 0.000 0.662 561 V HN 0.426 nan 8.190 nan 0.000 0.455 562 T N -0.173 114.478 114.554 0.162 0.000 2.746 562 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 562 T C 1.961 176.746 174.700 0.142 0.000 1.039 562 T CA 1.501 63.690 62.100 0.147 0.000 1.142 562 T CB -0.258 68.695 68.868 0.140 0.000 0.866 562 T HN 0.203 nan 8.240 nan 0.000 0.444 563 M N 0.514 120.202 119.600 0.147 0.000 2.132 563 M HA 0.058 4.538 4.480 -0.000 0.000 0.263 563 M C 2.390 178.828 176.300 0.230 0.000 1.065 563 M CA 1.474 56.919 55.300 0.242 0.000 1.122 563 M CB -0.949 31.798 32.600 0.246 0.000 1.365 563 M HN 0.336 nan 8.290 nan 0.000 0.411 564 M N -0.135 119.441 119.600 -0.040 0.000 2.086 564 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 564 M C 1.515 177.758 176.300 -0.095 0.000 1.067 564 M CA 1.495 56.569 55.300 -0.376 0.000 1.116 564 M CB -0.915 31.171 32.600 -0.856 0.000 1.348 564 M HN 0.149 nan 8.290 nan 0.000 0.407 565 D N 0.647 121.126 120.400 0.131 0.000 2.190 565 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 565 D C 2.130 178.513 176.300 0.137 0.000 0.992 565 D CA 1.851 56.005 54.000 0.255 0.000 0.854 565 D CB -0.240 40.700 40.800 0.233 0.000 0.936 565 D HN 0.426 nan 8.370 nan 0.000 0.462 566 S N -0.587 115.128 115.700 0.025 0.000 2.470 566 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 566 S C 2.132 176.532 174.600 -0.333 0.000 1.006 566 S CA 0.200 58.346 58.200 -0.090 0.000 0.934 566 S CB -0.260 62.912 63.200 -0.046 0.000 0.778 566 S HN 0.065 nan 8.310 nan 0.000 0.517 567 V N 1.287 120.954 119.914 -0.412 0.000 2.332 567 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 567 V C 2.177 177.915 176.094 -0.594 0.000 1.055 567 V CA 2.012 63.934 62.300 -0.630 0.000 1.038 567 V CB -1.102 30.346 31.823 -0.624 0.000 0.651 567 V HN 0.499 nan 8.190 nan 0.000 0.450 568 F N 0.582 120.330 119.950 -0.338 0.000 2.234 568 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 568 F C 2.291 177.993 175.800 -0.164 0.000 1.087 568 F CA 1.232 59.029 58.000 -0.337 0.000 1.340 568 F CB -0.725 37.898 39.000 -0.628 0.000 1.031 568 F HN 0.121 nan 8.300 nan 0.000 0.500 569 A N -0.053 122.770 122.820 0.006 0.000 2.147 569 A HA 0.219 4.539 4.320 -0.000 0.000 0.211 569 A C 0.722 178.266 177.584 -0.067 0.000 1.160 569 A CA 0.407 52.450 52.037 0.009 0.000 0.781 569 A CB -0.861 18.160 19.000 0.035 0.000 0.842 569 A HN 0.059 nan 8.150 nan 0.000 0.475 570 V N -1.644 118.159 119.914 -0.184 0.000 2.461 570 V HA 0.469 4.589 4.120 -0.000 0.000 0.275 570 V C -2.956 173.058 176.094 -0.132 0.000 1.047 570 V CA -2.811 59.367 62.300 -0.203 0.000 0.955 570 V CB 0.595 32.179 31.823 -0.398 0.000 0.988 570 V HN 0.080 nan 8.190 nan 0.000 0.471 571 P HA 0.162 nan 4.420 nan 0.000 0.266 571 P C -2.355 174.952 177.300 0.012 0.000 1.193 571 P CA -1.088 62.005 63.100 -0.011 0.000 0.770 571 P CB -0.156 31.543 31.700 -0.002 0.000 0.836 572 P HA 0.035 nan 4.420 nan 0.000 0.228 572 P C 0.080 177.521 177.300 0.235 0.000 1.748 572 P CA 0.112 63.297 63.100 0.141 0.000 0.909 572 P CB -0.606 31.178 31.700 0.140 0.000 1.882 573 I N -1.000 119.657 120.570 0.146 0.000 2.823 573 I HA 0.493 4.663 4.170 -0.000 0.000 0.290 573 I C -0.147 176.108 176.117 0.230 0.000 1.091 573 I CA -0.649 60.704 61.300 0.088 0.000 1.365 573 I CB -0.371 37.613 38.000 -0.026 0.000 1.427 573 I HN -0.042 nan 8.210 nan 0.000 0.583 574 F N 1.296 121.283 119.950 0.061 0.000 2.668 574 F HA 0.642 5.169 4.527 -0.000 0.000 0.309 574 F C -1.393 174.448 175.800 0.069 0.000 1.117 574 F CA -1.215 56.847 58.000 0.104 0.000 0.951 574 F CB 1.243 40.203 39.000 -0.066 0.000 1.323 574 F HN 0.472 nan 8.300 nan 0.000 0.451 575 D N 1.513 122.098 120.400 0.308 0.000 2.440 575 D HA 0.226 4.866 4.640 -0.000 0.000 0.239 575 D C -0.418 176.113 176.300 0.385 0.000 1.084 575 D CA -0.473 53.660 54.000 0.221 0.000 0.843 575 D CB 1.284 42.181 40.800 0.163 0.000 1.097 575 D HN 0.688 nan 8.370 nan 0.000 0.531 576 D N 1.407 122.037 120.400 0.383 0.000 2.368 576 D HA -0.058 4.582 4.640 -0.000 0.000 0.218 576 D C 1.178 177.686 176.300 0.346 0.000 1.112 576 D CA 0.000 54.243 54.000 0.404 0.000 0.834 576 D CB -0.089 40.909 40.800 0.332 0.000 0.953 576 D HN 0.218 nan 8.370 nan 0.000 0.505 577 S N -0.151 115.699 115.700 0.250 0.000 2.387 577 S HA -0.325 4.145 4.470 -0.000 0.000 0.230 577 S C 1.922 176.613 174.600 0.153 0.000 1.035 577 S CA 0.829 59.133 58.200 0.173 0.000 1.014 577 S CB -1.213 62.066 63.200 0.131 0.000 0.836 577 S HN 0.451 nan 8.310 nan 0.000 0.466 578 Y N 1.509 121.811 120.300 0.003 0.000 2.403 578 Y HA -0.113 4.437 4.550 -0.000 0.000 0.291 578 Y C 1.578 177.287 175.900 -0.318 0.000 1.143 578 Y CA 1.171 59.154 58.100 -0.194 0.000 1.257 578 Y CB -0.242 38.033 38.460 -0.309 0.000 0.984 578 Y HN 0.295 nan 8.280 nan 0.000 0.550 579 Y N -1.383 118.992 120.300 0.125 0.000 2.522 579 Y HA 0.294 4.844 4.550 -0.000 0.000 0.277 579 Y C 2.121 178.023 175.900 0.004 0.000 1.104 579 Y CA 0.439 58.551 58.100 0.020 0.000 1.260 579 Y CB -0.044 38.459 38.460 0.072 0.000 1.151 579 Y HN 0.031 nan 8.280 nan 0.000 0.539 580 G N 0.634 109.540 108.800 0.176 0.000 2.143 580 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.249 580 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.249 580 G C -0.077 174.898 174.900 0.125 0.000 0.981 580 G CA 0.421 45.591 45.100 0.115 0.000 0.665 580 G HN 0.505 nan 8.290 nan 0.000 0.528 581 Q N -2.357 117.535 119.800 0.152 0.000 2.702 581 Q HA 0.547 4.887 4.340 -0.000 0.000 0.289 581 Q C -0.933 175.094 176.000 0.044 0.000 0.923 581 Q CA -1.032 54.836 55.803 0.108 0.000 0.787 581 Q CB 1.187 29.996 28.738 0.120 0.000 1.476 581 Q HN 0.463 nan 8.270 nan 0.000 0.402 582 V N 3.134 123.042 119.914 -0.010 0.000 2.287 582 V HA 0.156 4.276 4.120 -0.000 0.000 0.246 582 V C 0.745 176.685 176.094 -0.256 0.000 1.165 582 V CA -0.261 61.927 62.300 -0.187 0.000 1.088 582 V CB -1.286 30.446 31.823 -0.152 0.000 1.242 582 V HN 0.628 nan 8.190 nan 0.000 0.497 583 I N 1.058 121.403 120.570 -0.376 0.000 2.948 583 I HA 0.110 4.280 4.170 -0.000 0.000 0.290 583 I C 1.802 177.625 176.117 -0.489 0.000 1.226 583 I CA -0.070 60.971 61.300 -0.432 0.000 1.413 583 I CB 0.222 37.846 38.000 -0.627 0.000 1.352 583 I HN 0.753 nan 8.210 nan 0.000 0.597 584 H N 2.050 120.877 119.070 -0.404 0.000 2.422 584 H HA -0.153 4.403 4.556 -0.000 0.000 0.298 584 H C 1.464 176.634 175.328 -0.262 0.000 1.098 584 H CA 1.769 57.643 56.048 -0.291 0.000 1.315 584 H CB -0.418 29.220 29.762 -0.206 0.000 1.382 584 H HN 0.758 nan 8.280 nan 0.000 0.523 585 E N 0.920 120.583 120.200 -0.896 0.000 2.085 585 E HA -0.113 4.236 4.350 -0.000 0.000 0.194 585 E C 2.157 178.502 176.600 -0.425 0.000 0.994 585 E CA 1.623 57.741 56.400 -0.470 0.000 0.801 585 E CB -0.162 29.366 29.700 -0.287 0.000 0.743 585 E HN 0.615 nan 8.360 nan 0.000 0.453 586 I N 0.213 120.270 120.570 -0.856 0.000 2.202 586 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 586 I C 2.470 178.181 176.117 -0.677 0.000 1.091 586 I CA 0.910 61.483 61.300 -1.213 0.000 1.368 586 I CB -0.133 36.860 38.000 -1.678 0.000 1.058 586 I HN 0.017 nan 8.210 nan 0.000 0.410 587 R N 1.493 121.687 120.500 -0.510 0.000 2.083 587 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 587 R C 2.018 178.219 176.300 -0.164 0.000 1.137 587 R CA 1.785 57.713 56.100 -0.286 0.000 0.951 587 R CB -0.413 29.780 30.300 -0.178 0.000 0.851 587 R HN 0.369 nan 8.270 nan 0.000 0.434 588 E N -0.274 119.844 120.200 -0.137 0.000 2.070 588 E HA -0.274 4.075 4.350 -0.000 0.000 0.197 588 E C 1.977 178.551 176.600 -0.045 0.000 1.004 588 E CA 1.802 58.167 56.400 -0.059 0.000 0.805 588 E CB -0.284 29.396 29.700 -0.033 0.000 0.744 588 E HN 0.374 nan 8.360 nan 0.000 0.451 589 M N 0.985 120.557 119.600 -0.047 0.000 2.082 589 M HA -0.222 4.258 4.480 -0.000 0.000 0.258 589 M C 2.405 178.719 176.300 0.023 0.000 1.069 589 M CA 2.361 57.674 55.300 0.021 0.000 1.102 589 M CB -0.409 32.288 32.600 0.161 0.000 1.336 589 M HN 0.252 nan 8.290 nan 0.000 0.404 590 T N -1.761 112.781 114.554 -0.019 0.000 2.821 590 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 590 T C 1.572 176.290 174.700 0.031 0.000 1.046 590 T CA 1.415 63.530 62.100 0.024 0.000 1.139 590 T CB -1.405 67.475 68.868 0.020 0.000 0.871 590 T HN 0.476 nan 8.240 nan 0.000 0.454 591 V N -1.193 118.728 119.914 0.012 0.000 2.970 591 V HA 0.142 4.262 4.120 -0.000 0.000 0.260 591 V C 2.250 178.365 176.094 0.034 0.000 1.100 591 V CA 0.746 63.059 62.300 0.022 0.000 1.122 591 V CB -1.050 30.781 31.823 0.013 0.000 0.721 591 V HN 0.237 nan 8.190 nan 0.000 0.483 592 M N 0.582 120.207 119.600 0.042 0.000 2.562 592 M HA 0.147 4.627 4.480 -0.000 0.000 0.257 592 M C 1.256 177.604 176.300 0.080 0.000 1.099 592 M CA 0.509 55.844 55.300 0.058 0.000 1.099 592 M CB -2.043 30.597 32.600 0.066 0.000 1.427 592 M HN 0.792 nan 8.290 nan 0.000 0.489 593 N N 0.633 119.380 118.700 0.079 0.000 2.754 593 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 593 N C -0.345 175.242 175.510 0.129 0.000 1.093 593 N CA 0.156 53.260 53.050 0.091 0.000 0.699 593 N CB -0.447 38.089 38.487 0.082 0.000 1.016 593 N HN 0.354 nan 8.380 nan 0.000 0.552 594 M N 0.123 119.808 119.600 0.141 0.000 2.876 594 M HA 0.209 4.689 4.480 -0.000 0.000 0.367 594 M C 1.267 177.644 176.300 0.127 0.000 1.242 594 M CA 0.375 55.795 55.300 0.201 0.000 0.889 594 M CB 0.822 33.592 32.600 0.284 0.000 1.353 594 M HN 0.377 nan 8.290 nan 0.000 0.511 595 G N 1.964 110.807 108.800 0.072 0.000 2.583 595 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.292 595 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.292 595 G C 0.412 175.294 174.900 -0.029 0.000 1.203 595 G CA 0.404 45.496 45.100 -0.013 0.000 0.987 595 G HN 0.590 nan 8.290 nan 0.000 0.554 596 N N 0.056 118.673 118.700 -0.138 0.000 2.322 596 N HA 0.066 4.806 4.740 -0.000 0.000 0.194 596 N C 0.051 175.553 175.510 -0.013 0.000 1.126 596 N CA 0.040 53.054 53.050 -0.060 0.000 0.845 596 N CB 0.279 38.620 38.487 -0.243 0.000 0.976 596 N HN 0.430 nan 8.380 nan 0.000 0.475 597 Y N 2.102 122.250 120.300 -0.254 0.000 2.640 597 Y HA 0.261 4.811 4.550 -0.000 0.000 0.355 597 Y C -0.161 175.673 175.900 -0.110 0.000 1.088 597 Y CA -0.875 57.045 58.100 -0.300 0.000 1.443 597 Y CB -0.007 38.114 38.460 -0.565 0.000 1.224 597 Y HN -0.069 nan 8.280 nan 0.000 0.516 598 A N 6.262 128.739 122.820 -0.572 0.000 2.444 598 A HA 0.149 4.469 4.320 -0.000 0.000 0.332 598 A C 1.050 178.238 177.584 -0.659 0.000 1.430 598 A CA -0.468 51.301 52.037 -0.446 0.000 0.975 598 A CB -0.506 18.288 19.000 -0.344 0.000 1.147 598 A HN 1.022 nan 8.150 nan 0.000 0.524 599 H N 2.757 121.434 119.070 -0.656 0.000 2.456 599 H HA -0.144 4.412 4.556 -0.000 0.000 0.296 599 H C 1.898 176.974 175.328 -0.419 0.000 1.079 599 H CA 1.839 57.525 56.048 -0.603 0.000 1.322 599 H CB 0.287 29.896 29.762 -0.256 0.000 1.388 599 H HN 0.728 nan 8.280 nan 0.000 0.538 600 G N 0.302 108.893 108.800 -0.348 0.000 2.509 600 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 600 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 600 G C 0.828 175.558 174.900 -0.283 0.000 1.124 600 G CA -0.119 44.813 45.100 -0.280 0.000 0.776 600 G HN 0.389 nan 8.290 nan 0.000 0.547 601 N N 0.185 118.664 118.700 -0.370 0.000 2.406 601 N HA 0.180 4.920 4.740 -0.000 0.000 0.265 601 N C 1.458 176.755 175.510 -0.355 0.000 1.203 601 N CA -0.239 52.602 53.050 -0.349 0.000 0.945 601 N CB 0.526 38.678 38.487 -0.559 0.000 1.165 601 N HN 0.034 nan 8.380 nan 0.000 0.485 602 Q N 3.282 122.925 119.800 -0.263 0.000 2.112 602 Q HA -0.133 4.207 4.340 -0.000 0.000 0.206 602 Q C -0.914 174.880 176.000 -0.343 0.000 0.987 602 Q CA 1.845 57.433 55.803 -0.359 0.000 0.858 602 Q CB -0.519 27.887 28.738 -0.554 0.000 0.905 602 Q HN 0.633 nan 8.270 nan 0.000 0.420 603 P HA -0.092 nan 4.420 nan 0.000 0.225 603 P C 0.621 177.854 177.300 -0.112 0.000 1.148 603 P CA 1.038 63.940 63.100 -0.330 0.000 0.779 603 P CB 0.139 31.356 31.700 -0.805 0.000 0.780 604 I N -1.288 119.165 120.570 -0.194 0.000 3.956 604 I HA 0.033 4.203 4.170 -0.000 0.000 0.333 604 I C 1.576 177.608 176.117 -0.141 0.000 1.302 604 I CA 0.278 61.468 61.300 -0.184 0.000 1.122 604 I CB 0.068 37.913 38.000 -0.258 0.000 1.013 604 I HN -0.122 nan 8.210 nan 0.000 0.405 605 Q N 0.140 119.899 119.800 -0.069 0.000 2.226 605 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 605 Q C 1.714 177.911 176.000 0.328 0.000 0.975 605 Q CA 1.460 57.259 55.803 -0.007 0.000 0.866 605 Q CB -0.068 28.595 28.738 -0.124 0.000 0.915 605 Q HN 0.699 nan 8.270 nan 0.000 0.440 606 H N -1.060 118.151 119.070 0.234 0.000 2.563 606 H HA 0.111 4.667 4.556 -0.000 0.000 0.264 606 H C 1.784 177.263 175.328 0.252 0.000 0.957 606 H CA 0.164 56.376 56.048 0.274 0.000 1.173 606 H CB -0.259 29.736 29.762 0.388 0.000 1.420 606 H HN 0.180 nan 8.280 nan 0.000 0.551 607 M N 1.335 120.623 119.600 -0.519 0.000 2.089 607 M HA -0.174 4.306 4.480 -0.000 0.000 0.257 607 M C 1.902 177.995 176.300 -0.345 0.000 1.071 607 M CA 1.636 56.562 55.300 -0.622 0.000 1.096 607 M CB -0.276 31.927 32.600 -0.663 0.000 1.330 607 M HN 0.270 nan 8.290 nan 0.000 0.403 608 I N -0.743 119.758 120.570 -0.114 0.000 2.454 608 I HA -0.314 3.856 4.170 -0.000 0.000 0.254 608 I C 1.748 177.882 176.117 0.029 0.000 1.156 608 I CA 1.237 62.501 61.300 -0.060 0.000 1.433 608 I CB -0.529 37.479 38.000 0.015 0.000 1.082 608 I HN 0.285 nan 8.210 nan 0.000 0.432 609 Y N 0.451 120.831 120.300 0.133 0.000 2.497 609 Y HA -0.103 4.447 4.550 -0.000 0.000 0.292 609 Y C 2.256 178.350 175.900 0.323 0.000 1.137 609 Y CA 0.667 58.915 58.100 0.248 0.000 1.285 609 Y CB -0.295 38.340 38.460 0.291 0.000 0.991 609 Y HN 0.122 nan 8.280 nan 0.000 0.556 610 L N -1.597 119.790 121.223 0.273 0.000 2.265 610 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 610 L C 1.704 178.766 176.870 0.320 0.000 1.117 610 L CA 1.033 56.023 54.840 0.251 0.000 0.782 610 L CB -0.722 41.373 42.059 0.060 0.000 0.914 610 L HN 0.274 nan 8.230 nan 0.000 0.441 611 Y N 0.725 121.147 120.300 0.203 0.000 2.241 611 Y HA -0.294 4.256 4.550 -0.000 0.000 0.286 611 Y C 2.316 178.289 175.900 0.122 0.000 1.166 611 Y CA 1.414 59.584 58.100 0.116 0.000 1.203 611 Y CB -0.559 37.895 38.460 -0.009 0.000 0.977 611 Y HN 0.257 nan 8.280 nan 0.000 0.529 612 D N -1.467 119.145 120.400 0.353 0.000 2.117 612 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 612 D C 1.813 178.227 176.300 0.190 0.000 0.987 612 D CA 1.487 55.624 54.000 0.229 0.000 0.829 612 D CB -0.553 40.375 40.800 0.213 0.000 0.961 612 D HN 0.361 nan 8.370 nan 0.000 0.460 613 Y N 0.291 120.668 120.300 0.129 0.000 2.439 613 Y HA 0.147 4.697 4.550 -0.000 0.000 0.292 613 Y C 2.045 177.945 175.900 -0.000 0.000 1.130 613 Y CA 0.632 58.763 58.100 0.052 0.000 1.254 613 Y CB -0.187 38.272 38.460 -0.002 0.000 1.000 613 Y HN -0.077 nan 8.280 nan 0.000 0.554 614 A N -0.523 122.420 122.820 0.205 0.000 2.379 614 A HA 0.485 4.805 4.320 -0.000 0.000 0.236 614 A C 1.848 179.498 177.584 0.111 0.000 1.272 614 A CA 0.527 52.645 52.037 0.135 0.000 0.886 614 A CB -1.009 18.146 19.000 0.259 0.000 0.962 614 A HN 0.511 nan 8.150 nan 0.000 0.504 615 G N -0.666 108.188 108.800 0.090 0.000 2.160 615 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 615 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 615 G C -0.013 174.844 174.900 -0.071 0.000 1.008 615 G CA 0.453 45.593 45.100 0.067 0.000 0.724 615 G HN 0.645 nan 8.290 nan 0.000 0.514 616 Q N -0.596 119.027 119.800 -0.296 0.000 2.928 616 Q HA 0.224 4.564 4.340 -0.000 0.000 0.353 616 Q C -1.703 173.798 176.000 -0.833 0.000 0.870 616 Q CA -1.515 53.577 55.803 -1.185 0.000 0.963 616 Q CB 1.810 29.801 28.738 -1.245 0.000 1.419 616 Q HN 0.333 nan 8.270 nan 0.000 0.396 617 P HA -0.173 nan 4.420 nan 0.000 0.225 617 P C 0.645 177.987 177.300 0.069 0.000 1.148 617 P CA 0.822 63.925 63.100 0.005 0.000 0.779 617 P CB -0.081 31.713 31.700 0.157 0.000 0.780 618 W N 1.405 122.775 121.300 0.117 0.000 2.402 618 W HA 0.045 4.705 4.660 -0.000 0.000 0.286 618 W C 1.779 178.401 176.519 0.171 0.000 1.221 618 W CA 0.833 58.289 57.345 0.186 0.000 1.257 618 W CB -1.446 28.038 29.460 0.041 0.000 1.120 618 W HN -0.175 nan 8.180 nan 0.000 0.551 619 K N 0.720 120.853 120.400 -0.446 0.000 2.148 619 K HA -0.015 4.305 4.320 -0.000 0.000 0.204 619 K C 2.491 178.911 176.600 -0.300 0.000 1.050 619 K CA 1.372 57.348 56.287 -0.518 0.000 0.942 619 K CB -0.465 31.310 32.500 -1.208 0.000 0.724 619 K HN 0.245 nan 8.250 nan 0.000 0.446 620 A N 1.582 124.323 122.820 -0.131 0.000 1.877 620 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 620 A C 2.067 179.653 177.584 0.003 0.000 1.186 620 A CA 1.352 53.440 52.037 0.085 0.000 0.620 620 A CB -0.482 18.584 19.000 0.109 0.000 0.822 620 A HN 0.278 nan 8.150 nan 0.000 0.443 621 Q N -1.841 117.991 119.800 0.053 0.000 2.061 621 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 621 Q C 2.023 177.973 176.000 -0.084 0.000 0.984 621 Q CA 2.050 57.881 55.803 0.046 0.000 0.846 621 Q CB -0.469 28.393 28.738 0.208 0.000 0.902 621 Q HN 0.830 nan 8.270 nan 0.000 0.421 622 Y N -0.436 119.748 120.300 -0.193 0.000 2.070 622 Y HA -0.298 4.252 4.550 -0.000 0.000 0.280 622 Y C 1.628 177.132 175.900 -0.659 0.000 1.148 622 Y CA 1.848 59.647 58.100 -0.502 0.000 1.125 622 Y CB -0.425 37.748 38.460 -0.478 0.000 0.975 622 Y HN 0.149 nan 8.280 nan 0.000 0.492 623 W N 0.001 121.117 121.300 -0.307 0.000 2.418 623 W HA -0.086 4.574 4.660 -0.000 0.000 0.292 623 W C 2.269 178.542 176.519 -0.410 0.000 1.213 623 W CA 0.845 57.913 57.345 -0.462 0.000 1.283 623 W CB -0.334 28.859 29.460 -0.444 0.000 1.119 623 W HN 0.055 nan 8.180 nan 0.000 0.542 624 L N 0.122 121.289 121.223 -0.093 0.000 2.079 624 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 624 L C 2.595 179.369 176.870 -0.161 0.000 1.081 624 L CA 1.201 55.996 54.840 -0.076 0.000 0.752 624 L CB -0.644 41.310 42.059 -0.176 0.000 0.896 624 L HN -0.075 nan 8.230 nan 0.000 0.433 625 R N -0.240 120.034 120.500 -0.376 0.000 2.090 625 R HA -0.110 4.230 4.340 -0.000 0.000 0.228 625 R C 2.307 178.321 176.300 -0.477 0.000 1.110 625 R CA 1.130 56.943 56.100 -0.478 0.000 0.973 625 R CB -0.275 29.571 30.300 -0.756 0.000 0.869 625 R HN 0.252 nan 8.270 nan 0.000 0.440 626 Q N 0.067 119.505 119.800 -0.603 0.000 2.077 626 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 626 Q C 2.156 178.066 176.000 -0.150 0.000 0.989 626 Q CA 1.969 57.520 55.803 -0.420 0.000 0.853 626 Q CB -0.644 27.846 28.738 -0.413 0.000 0.907 626 Q HN 0.278 nan 8.270 nan 0.000 0.418 627 V N 1.008 120.878 119.914 -0.074 0.000 2.295 627 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 627 V C 2.419 178.593 176.094 0.132 0.000 1.049 627 V CA 1.806 64.105 62.300 -0.001 0.000 1.024 627 V CB -0.532 31.232 31.823 -0.099 0.000 0.648 627 V HN 0.330 nan 8.190 nan 0.000 0.447 628 M N -0.498 119.178 119.600 0.126 0.000 2.159 628 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 628 M C 1.850 178.257 176.300 0.178 0.000 1.063 628 M CA 1.741 57.151 55.300 0.183 0.000 1.110 628 M CB -0.444 32.108 32.600 -0.080 0.000 1.374 628 M HN 0.319 nan 8.290 nan 0.000 0.411 629 D N -0.388 120.017 120.400 0.009 0.000 2.194 629 D HA -0.044 4.596 4.640 -0.000 0.000 0.204 629 D C 1.919 178.233 176.300 0.024 0.000 0.964 629 D CA 1.102 55.088 54.000 -0.022 0.000 0.846 629 D CB 0.070 40.789 40.800 -0.135 0.000 0.962 629 D HN 0.310 nan 8.370 nan 0.000 0.490 630 R N -0.958 119.563 120.500 0.035 0.000 2.221 630 R HA 0.255 4.595 4.340 -0.000 0.000 0.195 630 R C 1.541 177.872 176.300 0.052 0.000 0.956 630 R CA 0.114 56.231 56.100 0.028 0.000 1.064 630 R CB 0.356 30.658 30.300 0.003 0.000 1.049 630 R HN 0.030 nan 8.270 nan 0.000 0.534 631 M N -0.193 119.465 119.600 0.096 0.000 2.428 631 M HA 0.185 4.665 4.480 -0.000 0.000 0.239 631 M C -0.636 175.572 176.300 -0.152 0.000 1.121 631 M CA 0.603 55.898 55.300 -0.009 0.000 1.019 631 M CB 0.318 32.884 32.600 -0.057 0.000 1.485 631 M HN -0.064 nan 8.290 nan 0.000 0.484 632 Y N 0.134 120.443 120.300 0.015 0.000 2.373 632 Y HA 0.450 5.000 4.550 -0.000 0.000 0.336 632 Y C 0.509 176.338 175.900 -0.118 0.000 0.979 632 Y CA -1.228 56.823 58.100 -0.083 0.000 1.080 632 Y CB 1.484 39.871 38.460 -0.121 0.000 1.190 632 Y HN 0.007 nan 8.280 nan 0.000 0.446 633 T N -0.545 113.976 114.554 -0.055 0.000 2.901 633 T HA 0.447 4.797 4.350 -0.000 0.000 0.293 633 T C -2.598 172.030 174.700 -0.120 0.000 1.084 633 T CA -2.472 59.590 62.100 -0.063 0.000 1.008 633 T CB 2.548 71.383 68.868 -0.055 0.000 1.170 633 T HN 0.267 nan 8.240 nan 0.000 0.509 634 P HA 0.219 nan 4.420 nan 0.000 0.249 634 P C 0.844 178.099 177.300 -0.075 0.000 1.229 634 P CA 0.096 63.156 63.100 -0.067 0.000 0.788 634 P CB -0.224 31.477 31.700 0.001 0.000 1.072 635 G N 1.360 110.103 108.800 -0.096 0.000 2.543 635 G HA2 0.279 4.239 3.960 -0.000 0.000 0.290 635 G HA3 0.279 4.239 3.960 -0.000 0.000 0.290 635 G C -1.696 173.111 174.900 -0.155 0.000 1.310 635 G CA -1.392 43.635 45.100 -0.121 0.000 1.025 635 G HN -0.149 nan 8.290 nan 0.000 0.502 636 P HA -0.059 nan 4.420 nan 0.000 0.217 636 P C 0.595 177.818 177.300 -0.128 0.000 1.148 636 P CA 1.340 64.272 63.100 -0.280 0.000 0.828 636 P CB 0.128 31.315 31.700 -0.855 0.000 0.783 637 D N -1.400 118.921 120.400 -0.132 0.000 3.072 637 D HA 0.119 4.759 4.640 -0.000 0.000 0.250 637 D C 1.460 177.726 176.300 -0.056 0.000 1.304 637 D CA -0.382 53.590 54.000 -0.047 0.000 0.861 637 D CB -1.003 39.774 40.800 -0.040 0.000 1.062 637 D HN 0.058 nan 8.370 nan 0.000 0.481 638 G N -0.480 108.258 108.800 -0.104 0.000 2.448 638 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.218 638 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.218 638 G C 0.251 174.954 174.900 -0.329 0.000 1.135 638 G CA 0.271 45.228 45.100 -0.238 0.000 0.784 638 G HN 0.277 nan 8.290 nan 0.000 0.543 639 Y N -1.113 119.150 120.300 -0.060 0.000 2.408 639 Y HA 0.322 4.872 4.550 -0.000 0.000 0.324 639 Y C 1.761 177.578 175.900 -0.139 0.000 1.302 639 Y CA -0.754 57.257 58.100 -0.147 0.000 1.384 639 Y CB 0.976 39.384 38.460 -0.086 0.000 1.367 639 Y HN 0.072 nan 8.280 nan 0.000 0.525 640 C N -1.892 117.401 119.300 -0.010 0.000 2.906 640 C HA 0.807 5.267 4.460 -0.000 0.000 0.274 640 C C 0.703 175.701 174.990 0.013 0.000 1.257 640 C CA 0.140 59.143 59.018 -0.024 0.000 1.695 640 C CB -1.274 26.424 27.740 -0.070 0.000 1.958 640 C HN 0.956 nan 8.230 nan 0.000 0.619 641 G N -0.309 108.520 108.800 0.048 0.000 2.341 641 G HA2 0.405 4.365 3.960 -0.000 0.000 0.299 641 G HA3 0.405 4.365 3.960 -0.000 0.000 0.299 641 G C -2.233 172.705 174.900 0.062 0.000 1.274 641 G CA -0.526 44.614 45.100 0.067 0.000 0.853 641 G HN 0.048 nan 8.290 nan 0.000 0.493 642 D N 0.416 120.880 120.400 0.106 0.000 2.455 642 D HA 0.183 4.823 4.640 -0.000 0.000 0.241 642 D C 1.262 177.511 176.300 -0.084 0.000 1.138 642 D CA -0.140 53.911 54.000 0.085 0.000 0.877 642 D CB 1.660 42.598 40.800 0.229 0.000 1.187 642 D HN 0.415 nan 8.370 nan 0.000 0.451 643 E N 1.396 121.457 120.200 -0.230 0.000 2.107 643 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 643 E C -0.435 176.069 176.600 -0.160 0.000 0.982 643 E CA 0.629 56.768 56.400 -0.436 0.000 0.809 643 E CB 0.149 29.442 29.700 -0.677 0.000 0.756 643 E HN 0.431 nan 8.360 nan 0.000 0.459 644 D N 0.470 120.837 120.400 -0.054 0.000 2.760 644 D HA -0.212 4.428 4.640 -0.000 0.000 0.244 644 D C -0.656 175.640 176.300 -0.006 0.000 1.123 644 D CA 0.994 55.020 54.000 0.044 0.000 0.719 644 D CB -2.007 38.870 40.800 0.129 0.000 1.045 644 D HN 0.419 nan 8.370 nan 0.000 0.426 645 N N -1.207 117.419 118.700 -0.123 0.000 2.725 645 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 645 N C 1.126 176.688 175.510 0.087 0.000 1.103 645 N CA 1.724 54.674 53.050 -0.166 0.000 0.707 645 N CB -1.095 37.223 38.487 -0.281 0.000 1.043 645 N HN 0.783 nan 8.380 nan 0.000 0.553 646 G N -1.312 107.535 108.800 0.079 0.000 2.278 646 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.210 646 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.210 646 G C 0.672 175.662 174.900 0.151 0.000 1.000 646 G CA 0.729 45.905 45.100 0.125 0.000 0.635 646 G HN 0.450 nan 8.290 nan 0.000 0.495 647 Q N 1.290 121.168 119.800 0.130 0.000 2.002 647 Q HA -0.021 4.319 4.340 -0.000 0.000 0.204 647 Q C 2.438 178.590 176.000 0.254 0.000 0.988 647 Q CA 3.282 59.185 55.803 0.167 0.000 0.843 647 Q CB -0.977 27.815 28.738 0.091 0.000 0.908 647 Q HN 0.493 nan 8.270 nan 0.000 0.420 648 T N -0.038 114.624 114.554 0.181 0.000 2.915 648 T HA -0.043 4.307 4.350 -0.000 0.000 0.269 648 T C 1.882 176.918 174.700 0.559 0.000 1.071 648 T CA 1.167 63.438 62.100 0.285 0.000 1.132 648 T CB -0.218 68.690 68.868 0.066 0.000 0.878 648 T HN 0.261 nan 8.240 nan 0.000 0.479 649 S N 1.528 117.475 115.700 0.411 0.000 2.377 649 S HA 0.117 4.587 4.470 -0.000 0.000 0.223 649 S C 2.625 177.464 174.600 0.399 0.000 1.030 649 S CA 0.706 59.191 58.200 0.474 0.000 0.970 649 S CB -0.466 62.927 63.200 0.322 0.000 0.830 649 S HN 0.572 nan 8.310 nan 0.000 0.473 650 A N 0.520 123.543 122.820 0.338 0.000 1.972 650 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 650 A C 1.768 179.635 177.584 0.471 0.000 1.169 650 A CA 1.225 53.443 52.037 0.302 0.000 0.635 650 A CB -1.029 18.144 19.000 0.289 0.000 0.810 650 A HN 0.708 nan 8.150 nan 0.000 0.446 651 W N -0.784 120.776 121.300 0.433 0.000 2.338 651 W HA -0.281 4.379 4.660 -0.000 0.000 0.304 651 W C 2.020 178.801 176.519 0.436 0.000 1.212 651 W CA 2.134 59.812 57.345 0.555 0.000 1.264 651 W CB -0.389 29.395 29.460 0.540 0.000 1.142 651 W HN 0.471 nan 8.180 nan 0.000 0.512 652 Y N 0.009 120.605 120.300 0.494 0.000 2.242 652 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 652 Y C 2.253 178.145 175.900 -0.013 0.000 1.137 652 Y CA 2.323 60.468 58.100 0.076 0.000 1.181 652 Y CB -0.695 37.611 38.460 -0.257 0.000 0.989 652 Y HN -0.178 nan 8.280 nan 0.000 0.527 653 V N -0.303 119.677 119.914 0.109 0.000 2.233 653 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 653 V C 2.099 178.133 176.094 -0.100 0.000 1.050 653 V CA 2.190 64.401 62.300 -0.148 0.000 1.010 653 V CB -1.002 30.623 31.823 -0.330 0.000 0.637 653 V HN 0.312 nan 8.190 nan 0.000 0.444 654 F N 0.991 120.875 119.950 -0.110 0.000 2.069 654 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 654 F C 2.782 178.366 175.800 -0.360 0.000 1.113 654 F CA 2.071 59.919 58.000 -0.252 0.000 1.214 654 F CB -0.887 38.038 39.000 -0.124 0.000 0.978 654 F HN 0.029 nan 8.300 nan 0.000 0.474 655 S N -0.305 115.282 115.700 -0.187 0.000 2.382 655 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 655 S C 2.263 176.671 174.600 -0.321 0.000 1.027 655 S CA 1.006 58.994 58.200 -0.354 0.000 0.991 655 S CB -0.719 61.964 63.200 -0.862 0.000 0.823 655 S HN 0.378 nan 8.310 nan 0.000 0.469 656 A N 1.046 123.653 122.820 -0.355 0.000 2.067 656 A HA 0.095 4.415 4.320 -0.000 0.000 0.219 656 A C 1.973 179.473 177.584 -0.141 0.000 1.158 656 A CA 0.830 52.683 52.037 -0.306 0.000 0.661 656 A CB -0.530 18.337 19.000 -0.221 0.000 0.801 656 A HN 0.471 nan 8.150 nan 0.000 0.452 657 L N -1.767 119.352 121.223 -0.172 0.000 2.217 657 L HA 0.093 4.433 4.340 -0.000 0.000 0.211 657 L C 1.781 178.487 176.870 -0.274 0.000 1.107 657 L CA 0.860 55.539 54.840 -0.268 0.000 0.783 657 L CB -0.249 41.497 42.059 -0.522 0.000 0.919 657 L HN 0.594 nan 8.230 nan 0.000 0.442 658 G N -0.167 108.481 108.800 -0.253 0.000 2.154 658 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.186 658 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.186 658 G C -0.055 174.974 174.900 0.215 0.000 1.000 658 G CA -0.062 45.036 45.100 -0.003 0.000 0.664 658 G HN 0.303 nan 8.290 nan 0.000 0.513 659 F N -2.416 117.665 119.950 0.218 0.000 2.779 659 F HA 0.847 5.374 4.527 -0.000 0.000 0.316 659 F C -1.058 174.830 175.800 0.147 0.000 1.164 659 F CA -2.683 55.463 58.000 0.244 0.000 0.924 659 F CB 1.147 40.271 39.000 0.205 0.000 1.348 659 F HN 0.255 nan 8.300 nan 0.000 0.467 660 Y N 1.074 121.371 120.300 -0.006 0.000 2.480 660 Y HA 0.514 5.064 4.550 -0.000 0.000 0.329 660 Y C -2.904 172.773 175.900 -0.370 0.000 1.127 660 Y CA -2.290 55.482 58.100 -0.546 0.000 1.037 660 Y CB 3.068 40.749 38.460 -1.298 0.000 1.320 660 Y HN 0.447 nan 8.280 nan 0.000 0.446 661 P HA 0.059 nan 4.420 nan 0.000 0.256 661 P C 0.457 177.492 177.300 -0.443 0.000 1.688 661 P CA 0.384 63.099 63.100 -0.642 0.000 1.162 661 P CB 0.714 32.003 31.700 -0.685 0.000 1.870 662 V N 1.536 121.422 119.914 -0.047 0.000 2.407 662 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 662 V C 1.398 177.551 176.094 0.099 0.000 1.055 662 V CA 1.683 64.117 62.300 0.224 0.000 1.049 662 V CB -0.164 31.886 31.823 0.379 0.000 0.662 662 V HN 0.552 nan 8.190 nan 0.000 0.455 663 C N 1.799 121.104 119.300 0.008 0.000 3.002 663 C HA 0.508 4.968 4.460 -0.000 0.000 0.248 663 C C -2.635 172.359 174.990 0.007 0.000 1.153 663 C CA -2.235 56.777 59.018 -0.009 0.000 1.502 663 C CB -0.253 27.487 27.740 -0.000 0.000 1.805 663 C HN 0.281 nan 8.230 nan 0.000 0.450 664 P HA 0.300 nan 4.420 nan 0.000 0.266 664 P C 0.943 178.358 177.300 0.191 0.000 1.193 664 P CA 2.084 65.208 63.100 0.040 0.000 0.770 664 P CB 0.512 32.266 31.700 0.090 0.000 0.836 665 G N 0.658 109.492 108.800 0.057 0.000 2.279 665 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.223 665 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.223 665 G C 0.412 175.343 174.900 0.052 0.000 1.015 665 G CA 0.335 45.465 45.100 0.050 0.000 0.621 665 G HN 0.858 nan 8.290 nan 0.000 0.506 666 T N -0.762 113.846 114.554 0.089 0.000 2.862 666 T HA 0.521 4.871 4.350 -0.000 0.000 0.276 666 T C 0.752 175.352 174.700 -0.167 0.000 0.974 666 T CA 0.608 62.667 62.100 -0.067 0.000 0.966 666 T CB 1.679 70.462 68.868 -0.142 0.000 1.072 666 T HN 0.384 nan 8.240 nan 0.000 0.538 667 D N -1.074 119.233 120.400 -0.154 0.000 2.370 667 D HA 0.117 4.757 4.640 -0.000 0.000 0.230 667 D C -0.010 176.184 176.300 -0.177 0.000 1.143 667 D CA -0.296 53.607 54.000 -0.162 0.000 0.834 667 D CB -0.195 40.577 40.800 -0.046 0.000 0.944 667 D HN 0.704 nan 8.370 nan 0.000 0.504 668 E N -0.180 119.860 120.200 -0.267 0.000 2.191 668 E HA 0.373 4.723 4.350 -0.000 0.000 0.274 668 E C -1.058 175.277 176.600 -0.441 0.000 0.948 668 E CA -0.848 55.449 56.400 -0.173 0.000 0.802 668 E CB 1.392 31.039 29.700 -0.089 0.000 1.137 668 E HN 0.123 nan 8.360 nan 0.000 0.397 669 Y N 0.292 120.635 120.300 0.071 0.000 2.364 669 Y HA 0.310 4.860 4.550 -0.000 0.000 0.340 669 Y C -0.099 175.895 175.900 0.157 0.000 0.975 669 Y CA -1.041 57.091 58.100 0.053 0.000 1.089 669 Y CB 1.238 39.725 38.460 0.046 0.000 1.192 669 Y HN 0.187 nan 8.280 nan 0.000 0.454 670 V N 4.700 124.779 119.914 0.274 0.000 2.498 670 V HA 0.168 4.288 4.120 -0.000 0.000 0.279 670 V C 0.265 176.622 176.094 0.438 0.000 1.048 670 V CA -0.746 61.747 62.300 0.323 0.000 0.967 670 V CB 1.093 33.109 31.823 0.322 0.000 0.988 670 V HN 0.744 nan 8.190 nan 0.000 0.473 671 M N 4.451 124.308 119.600 0.429 0.000 2.228 671 M HA 0.469 4.949 4.480 -0.000 0.000 0.351 671 M C 0.676 177.270 176.300 0.490 0.000 1.233 671 M CA 0.835 56.397 55.300 0.436 0.000 1.129 671 M CB 0.771 33.558 32.600 0.312 0.000 1.604 671 M HN 0.805 nan 8.290 nan 0.000 0.457 672 G N 1.184 110.252 108.800 0.447 0.000 3.069 672 G HA2 0.481 4.441 3.960 -0.000 0.000 0.205 672 G HA3 0.481 4.441 3.960 -0.000 0.000 0.205 672 G C -0.941 174.040 174.900 0.134 0.000 1.771 672 G CA 0.002 45.233 45.100 0.218 0.000 0.739 672 G HN 0.645 nan 8.290 nan 0.000 0.784 673 T N 1.989 116.577 114.554 0.056 0.000 3.071 673 T HA 0.590 4.940 4.350 -0.000 0.000 0.311 673 T C -3.060 171.620 174.700 -0.033 0.000 1.042 673 T CA -1.076 61.042 62.100 0.031 0.000 1.028 673 T CB 2.141 71.020 68.868 0.018 0.000 1.068 673 T HN 0.229 nan 8.240 nan 0.000 0.451 674 P HA 0.236 nan 4.420 nan 0.000 0.275 674 P C 0.448 177.661 177.300 -0.144 0.000 1.228 674 P CA -0.559 62.501 63.100 -0.067 0.000 0.786 674 P CB 1.186 32.879 31.700 -0.011 0.000 0.927 675 L N 1.774 122.840 121.223 -0.261 0.000 2.354 675 L HA 0.286 4.626 4.340 -0.000 0.000 0.212 675 L C 0.432 176.953 176.870 -0.582 0.000 1.091 675 L CA 1.106 55.648 54.840 -0.496 0.000 0.828 675 L CB -0.352 41.234 42.059 -0.788 0.000 0.973 675 L HN 0.176 nan 8.230 nan 0.000 0.461 676 F N -0.892 118.964 119.950 -0.157 0.000 2.497 676 F HA 0.355 4.882 4.527 -0.000 0.000 0.331 676 F C 1.560 177.310 175.800 -0.084 0.000 1.060 676 F CA -0.691 57.231 58.000 -0.130 0.000 0.989 676 F CB 0.802 39.706 39.000 -0.160 0.000 1.245 676 F HN -0.361 nan 8.300 nan 0.000 0.486 677 K N 0.073 120.561 120.400 0.147 0.000 2.148 677 K HA -0.040 4.280 4.320 -0.000 0.000 0.204 677 K C 0.263 176.901 176.600 0.063 0.000 1.050 677 K CA 1.213 57.546 56.287 0.077 0.000 0.942 677 K CB 0.203 32.744 32.500 0.068 0.000 0.724 677 K HN 0.368 nan 8.250 nan 0.000 0.446 678 K N -0.414 120.029 120.400 0.072 0.000 2.523 678 K HA 0.472 4.792 4.320 -0.000 0.000 0.257 678 K C -2.109 174.462 176.600 -0.048 0.000 0.932 678 K CA -0.544 55.750 56.287 0.012 0.000 0.812 678 K CB 2.218 34.721 32.500 0.005 0.000 1.326 678 K HN -0.029 nan 8.250 nan 0.000 0.433 679 A N 2.041 124.814 122.820 -0.078 0.000 2.398 679 A HA 0.599 4.919 4.320 -0.000 0.000 0.301 679 A C -1.226 176.262 177.584 -0.159 0.000 1.041 679 A CA -0.577 51.367 52.037 -0.156 0.000 0.711 679 A CB 1.748 20.658 19.000 -0.150 0.000 1.240 679 A HN 0.520 nan 8.150 nan 0.000 0.420 680 T N 3.552 117.971 114.554 -0.225 0.000 2.786 680 T HA 0.536 4.886 4.350 -0.000 0.000 0.283 680 T C -0.342 174.051 174.700 -0.511 0.000 0.992 680 T CA -0.274 61.635 62.100 -0.318 0.000 0.954 680 T CB 0.580 69.264 68.868 -0.308 0.000 0.934 680 T HN 0.478 nan 8.240 nan 0.000 0.440 681 L N 4.124 125.023 121.223 -0.541 0.000 2.289 681 L HA 0.447 4.787 4.340 -0.000 0.000 0.285 681 L C 0.030 176.314 176.870 -0.977 0.000 1.049 681 L CA -0.900 53.497 54.840 -0.739 0.000 0.804 681 L CB 0.578 42.181 42.059 -0.761 0.000 1.195 681 L HN 0.586 nan 8.230 nan 0.000 0.428 682 H N 3.980 122.708 119.070 -0.570 0.000 2.691 682 H HA 0.327 4.883 4.556 -0.000 0.000 0.281 682 H C -0.324 174.743 175.328 -0.436 0.000 1.121 682 H CA -0.590 55.202 56.048 -0.427 0.000 1.254 682 H CB 0.502 30.130 29.762 -0.223 0.000 1.390 682 H HN 0.289 nan 8.280 nan 0.000 0.491 683 F N 0.693 120.615 119.950 -0.046 0.000 2.440 683 F HA 0.056 4.583 4.527 -0.000 0.000 0.323 683 F C 1.971 177.665 175.800 -0.178 0.000 1.192 683 F CA -0.264 57.624 58.000 -0.186 0.000 1.252 683 F CB 0.845 39.614 39.000 -0.385 0.000 1.214 683 F HN 0.434 nan 8.300 nan 0.000 0.578 684 E N 0.145 120.338 120.200 -0.012 0.000 2.358 684 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 684 E C 1.363 177.922 176.600 -0.068 0.000 1.010 684 E CA 0.777 57.158 56.400 -0.031 0.000 0.856 684 E CB -0.280 29.412 29.700 -0.013 0.000 0.795 684 E HN 0.678 nan 8.360 nan 0.000 0.504 685 N N -0.549 118.058 118.700 -0.155 0.000 2.521 685 N HA -0.045 4.695 4.740 -0.000 0.000 0.188 685 N C 1.260 176.736 175.510 -0.056 0.000 1.146 685 N CA 0.486 53.452 53.050 -0.141 0.000 0.893 685 N CB 0.387 38.716 38.487 -0.263 0.000 0.975 685 N HN 0.104 nan 8.380 nan 0.000 0.451 686 G N 0.141 108.932 108.800 -0.015 0.000 2.176 686 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 686 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 686 G C -0.307 174.623 174.900 0.050 0.000 0.979 686 G CA -0.171 44.937 45.100 0.013 0.000 0.641 686 G HN 0.417 nan 8.290 nan 0.000 0.530 687 N N 0.519 119.271 118.700 0.088 0.000 2.493 687 N HA 0.661 5.401 4.740 -0.000 0.000 0.275 687 N C -0.218 175.413 175.510 0.201 0.000 1.186 687 N CA 0.235 53.378 53.050 0.155 0.000 0.978 687 N CB 1.458 40.053 38.487 0.179 0.000 1.184 687 N HN 0.191 nan 8.380 nan 0.000 0.487 688 S N 0.254 116.045 115.700 0.152 0.000 2.568 688 S HA 0.623 5.093 4.470 -0.000 0.000 0.293 688 S C -1.159 173.469 174.600 0.047 0.000 1.089 688 S CA -0.600 57.611 58.200 0.018 0.000 0.945 688 S CB 1.676 64.922 63.200 0.078 0.000 1.077 688 S HN 0.411 nan 8.310 nan 0.000 0.485 689 L N 3.132 124.303 121.223 -0.088 0.000 2.406 689 L HA 0.689 5.029 4.340 -0.000 0.000 0.272 689 L C -1.384 175.433 176.870 -0.088 0.000 0.980 689 L CA -0.440 54.410 54.840 0.017 0.000 0.831 689 L CB 1.546 43.706 42.059 0.169 0.000 1.253 689 L HN 0.442 nan 8.230 nan 0.000 0.406 690 V N 6.427 126.313 119.914 -0.048 0.000 2.439 690 V HA 0.419 4.539 4.120 -0.000 0.000 0.282 690 V C 0.210 176.270 176.094 -0.056 0.000 1.039 690 V CA -0.289 61.974 62.300 -0.062 0.000 0.913 690 V CB 1.420 33.225 31.823 -0.029 0.000 0.983 690 V HN 0.589 nan 8.190 nan 0.000 0.460 691 I N 4.087 124.624 120.570 -0.055 0.000 2.337 691 I HA 0.319 4.489 4.170 -0.000 0.000 0.285 691 I C -0.269 175.835 176.117 -0.022 0.000 1.041 691 I CA -0.152 61.125 61.300 -0.039 0.000 1.199 691 I CB 0.870 38.869 38.000 -0.002 0.000 1.370 691 I HN 0.508 nan 8.210 nan 0.000 0.470 692 D N 6.433 126.821 120.400 -0.019 0.000 2.317 692 D HA 0.483 5.123 4.640 -0.000 0.000 0.234 692 D C -0.251 176.051 176.300 0.004 0.000 1.112 692 D CA -0.008 53.990 54.000 -0.003 0.000 0.840 692 D CB 2.061 42.861 40.800 0.001 0.000 1.078 692 D HN 0.595 nan 8.370 nan 0.000 0.486 693 A N 4.919 127.746 122.820 0.012 0.000 3.317 693 A HA 0.327 4.647 4.320 -0.000 0.000 0.307 693 A C -1.819 175.774 177.584 0.014 0.000 1.003 693 A CA -0.856 51.189 52.037 0.013 0.000 0.882 693 A CB 0.917 19.925 19.000 0.014 0.000 1.136 693 A HN 0.275 nan 8.150 nan 0.000 0.488 694 P HA -0.125 nan 4.420 nan 0.000 0.222 694 P C 0.599 177.904 177.300 0.009 0.000 1.147 694 P CA 1.162 64.271 63.100 0.015 0.000 0.790 694 P CB 0.211 31.919 31.700 0.014 0.000 0.780 695 N N -0.403 118.299 118.700 0.003 0.000 2.276 695 N HA 0.009 4.749 4.740 -0.000 0.000 0.212 695 N C 0.258 175.760 175.510 -0.013 0.000 1.127 695 N CA -0.294 52.753 53.050 -0.006 0.000 0.834 695 N CB -0.762 37.719 38.487 -0.009 0.000 1.014 695 N HN -0.111 nan 8.380 nan 0.000 0.491 696 N N 0.379 119.073 118.700 -0.010 0.000 2.492 696 N HA 0.068 4.808 4.740 -0.000 0.000 0.260 696 N C -0.552 174.941 175.510 -0.028 0.000 1.215 696 N CA 0.367 53.404 53.050 -0.021 0.000 0.923 696 N CB 0.677 39.150 38.487 -0.023 0.000 1.092 696 N HN 0.359 nan 8.380 nan 0.000 0.448 697 S N 0.308 115.988 115.700 -0.034 0.000 2.727 697 S HA 0.290 4.760 4.470 -0.000 0.000 0.278 697 S C 0.808 175.396 174.600 -0.020 0.000 1.186 697 S CA -0.424 57.756 58.200 -0.033 0.000 0.836 697 S CB 0.342 63.526 63.200 -0.027 0.000 1.186 697 S HN 0.375 nan 8.310 nan 0.000 0.499 698 T N 1.315 115.858 114.554 -0.018 0.000 2.803 698 T HA -0.020 4.330 4.350 -0.000 0.000 0.269 698 T C 1.127 175.888 174.700 0.101 0.000 1.052 698 T CA 2.221 64.323 62.100 0.003 0.000 1.136 698 T CB -0.457 68.400 68.868 -0.018 0.000 0.864 698 T HN 0.665 nan 8.240 nan 0.000 0.467 699 E N 1.024 121.255 120.200 0.051 0.000 2.216 699 E HA 0.128 4.478 4.350 -0.000 0.000 0.192 699 E C 0.576 177.050 176.600 -0.209 0.000 0.973 699 E CA 0.313 56.723 56.400 0.016 0.000 0.851 699 E CB 0.006 29.688 29.700 -0.029 0.000 0.804 699 E HN 0.515 nan 8.360 nan 0.000 0.477 700 N N 1.074 119.688 118.700 -0.142 0.000 3.034 700 N HA 0.110 4.850 4.740 -0.000 0.000 0.265 700 N C -0.610 174.789 175.510 -0.185 0.000 1.166 700 N CA -0.232 52.690 53.050 -0.214 0.000 1.081 700 N CB 0.132 38.560 38.487 -0.099 0.000 1.378 700 N HN 0.147 nan 8.380 nan 0.000 0.520 701 F N -1.825 118.016 119.950 -0.181 0.000 2.653 701 F HA 0.408 4.935 4.527 -0.000 0.000 0.304 701 F C -0.378 175.263 175.800 -0.265 0.000 1.092 701 F CA -0.974 56.871 58.000 -0.258 0.000 1.279 701 F CB -0.388 38.393 39.000 -0.365 0.000 1.044 701 F HN 0.016 nan 8.300 nan 0.000 0.564 702 Y N 1.949 122.142 120.300 -0.179 0.000 2.310 702 Y HA 0.477 5.027 4.550 -0.000 0.000 0.326 702 Y C 0.548 176.445 175.900 -0.005 0.000 1.151 702 Y CA -1.721 56.358 58.100 -0.035 0.000 1.195 702 Y CB 0.898 39.290 38.460 -0.114 0.000 1.210 702 Y HN -0.095 nan 8.280 nan 0.000 0.483 703 I N 2.933 123.637 120.570 0.223 0.000 2.322 703 I HA 0.022 4.192 4.170 -0.000 0.000 0.292 703 I C 0.493 176.682 176.117 0.120 0.000 1.060 703 I CA 0.145 61.532 61.300 0.145 0.000 1.309 703 I CB 0.914 39.005 38.000 0.152 0.000 1.415 703 I HN 0.737 nan 8.210 nan 0.000 0.492 704 D N 4.039 124.480 120.400 0.068 0.000 2.120 704 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 704 D C 0.651 176.973 176.300 0.037 0.000 0.972 704 D CA 1.023 55.040 54.000 0.028 0.000 0.837 704 D CB 0.501 41.300 40.800 -0.001 0.000 0.989 704 D HN 0.608 nan 8.370 nan 0.000 0.469 705 S N -1.711 114.018 115.700 0.048 0.000 2.615 705 S HA 0.574 5.044 4.470 -0.000 0.000 0.269 705 S C -1.008 173.633 174.600 0.068 0.000 1.161 705 S CA -1.054 57.180 58.200 0.057 0.000 0.817 705 S CB 1.681 64.905 63.200 0.040 0.000 1.131 705 S HN 0.078 nan 8.310 nan 0.000 0.467 706 M N 2.059 121.711 119.600 0.086 0.000 2.421 706 M HA 0.594 5.074 4.480 -0.000 0.000 0.287 706 M C -1.621 174.751 176.300 0.118 0.000 1.183 706 M CA -0.158 55.198 55.300 0.092 0.000 0.916 706 M CB 2.285 34.961 32.600 0.127 0.000 1.701 706 M HN 1.158 nan 8.290 nan 0.000 0.470 707 S N 2.258 118.013 115.700 0.092 0.000 2.569 707 S HA 0.768 5.238 4.470 -0.000 0.000 0.280 707 S C -1.511 173.170 174.600 0.136 0.000 1.111 707 S CA -0.703 57.579 58.200 0.137 0.000 0.887 707 S CB 2.146 65.409 63.200 0.105 0.000 1.095 707 S HN 0.569 nan 8.310 nan 0.000 0.476 708 F N 2.226 122.182 119.950 0.011 0.000 2.434 708 F HA 0.489 5.016 4.527 -0.000 0.000 0.355 708 F C 0.211 176.010 175.800 -0.002 0.000 1.115 708 F CA -1.428 56.545 58.000 -0.045 0.000 1.010 708 F CB -0.271 38.662 39.000 -0.111 0.000 1.234 708 F HN 0.988 nan 8.300 nan 0.000 0.439 709 N N 4.062 123.001 118.700 0.399 0.000 2.725 709 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 709 N C 1.021 176.601 175.510 0.115 0.000 1.031 709 N CA 0.807 53.982 53.050 0.207 0.000 0.720 709 N CB -0.896 37.678 38.487 0.144 0.000 0.930 709 N HN 1.173 nan 8.380 nan 0.000 0.543 710 G N -1.685 107.182 108.800 0.111 0.000 2.299 710 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.237 710 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.237 710 G C 0.250 175.195 174.900 0.075 0.000 1.027 710 G CA 0.324 45.470 45.100 0.075 0.000 0.619 710 G HN 0.997 nan 8.290 nan 0.000 0.513 711 A N 0.783 123.657 122.820 0.091 0.000 2.331 711 A HA 0.574 4.894 4.320 -0.000 0.000 0.283 711 A C 0.139 177.798 177.584 0.125 0.000 1.142 711 A CA 0.055 52.143 52.037 0.084 0.000 0.812 711 A CB 0.343 19.378 19.000 0.059 0.000 1.074 711 A HN 0.284 nan 8.150 nan 0.000 0.497 712 D N 1.308 121.764 120.400 0.092 0.000 2.506 712 D HA 0.067 4.707 4.640 -0.000 0.000 0.234 712 D C -0.007 176.382 176.300 0.149 0.000 1.143 712 D CA 1.347 55.407 54.000 0.100 0.000 0.871 712 D CB 0.189 41.020 40.800 0.053 0.000 1.190 712 D HN 0.542 nan 8.370 nan 0.000 0.459 713 H N 1.040 120.143 119.070 0.054 0.000 3.036 713 H HA 0.147 4.702 4.556 -0.000 0.000 0.295 713 H C 0.187 175.532 175.328 0.028 0.000 1.124 713 H CA -0.199 55.879 56.048 0.049 0.000 1.507 713 H CB 0.682 30.501 29.762 0.095 0.000 1.591 713 H HN 0.376 nan 8.280 nan 0.000 0.510 714 T N 0.595 115.063 114.554 -0.143 0.000 3.040 714 T HA 0.207 4.557 4.350 -0.000 0.000 0.250 714 T C 0.615 175.249 174.700 -0.110 0.000 1.058 714 T CA -0.362 61.705 62.100 -0.056 0.000 0.988 714 T CB 0.547 69.401 68.868 -0.023 0.000 0.993 714 T HN 0.320 nan 8.240 nan 0.000 0.519 715 K N 1.935 122.128 120.400 -0.345 0.000 2.380 715 K HA 0.169 4.489 4.320 -0.000 0.000 0.267 715 K C 0.069 176.609 176.600 -0.100 0.000 0.990 715 K CA 0.073 56.170 56.287 -0.317 0.000 0.946 715 K CB 0.237 32.306 32.500 -0.718 0.000 0.937 715 K HN 0.264 nan 8.250 nan 0.000 0.491 716 N N 0.861 119.588 118.700 0.046 0.000 2.362 716 N HA 0.028 4.768 4.740 -0.000 0.000 0.211 716 N C -1.221 174.455 175.510 0.277 0.000 1.170 716 N CA -0.135 53.013 53.050 0.164 0.000 0.828 716 N CB -0.057 38.513 38.487 0.138 0.000 1.034 716 N HN 0.430 nan 8.380 nan 0.000 0.475 717 Y N -2.254 118.143 120.300 0.161 0.000 2.592 717 Y HA 0.563 5.113 4.550 -0.000 0.000 0.334 717 Y C -1.799 174.256 175.900 0.259 0.000 1.136 717 Y CA -1.502 56.701 58.100 0.173 0.000 1.042 717 Y CB 0.892 39.406 38.460 0.090 0.000 1.325 717 Y HN -0.298 nan 8.280 nan 0.000 0.457 718 L N 3.181 124.568 121.223 0.272 0.000 2.342 718 L HA 0.704 5.044 4.340 -0.000 0.000 0.271 718 L C -0.358 176.709 176.870 0.329 0.000 1.008 718 L CA -1.141 53.803 54.840 0.174 0.000 0.818 718 L CB 2.175 44.150 42.059 -0.140 0.000 1.296 718 L HN 0.688 nan 8.230 nan 0.000 0.427 719 R N -0.260 120.416 120.500 0.293 0.000 2.407 719 R HA 0.216 4.556 4.340 -0.000 0.000 0.303 719 R C 0.509 176.925 176.300 0.193 0.000 0.981 719 R CA -0.716 55.541 56.100 0.262 0.000 0.905 719 R CB 1.490 31.923 30.300 0.222 0.000 1.099 719 R HN 0.523 nan 8.270 nan 0.000 0.459 720 H N 2.246 121.365 119.070 0.083 0.000 2.289 720 H HA -0.216 4.340 4.556 -0.000 0.000 0.294 720 H C 0.868 176.024 175.328 -0.287 0.000 1.095 720 H CA 2.480 58.480 56.048 -0.080 0.000 1.256 720 H CB 0.465 30.128 29.762 -0.166 0.000 1.359 720 H HN 0.641 nan 8.280 nan 0.000 0.487 721 E N -0.152 119.997 120.200 -0.085 0.000 2.204 721 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 721 E C 1.769 178.331 176.600 -0.062 0.000 0.989 721 E CA 1.149 57.495 56.400 -0.090 0.000 0.824 721 E CB 0.049 29.755 29.700 0.010 0.000 0.756 721 E HN 0.592 nan 8.360 nan 0.000 0.477 722 D N 0.126 120.514 120.400 -0.021 0.000 2.137 722 D HA -0.050 4.590 4.640 -0.000 0.000 0.202 722 D C 1.969 178.355 176.300 0.143 0.000 0.970 722 D CA 0.646 54.653 54.000 0.011 0.000 0.837 722 D CB -0.127 40.687 40.800 0.025 0.000 0.981 722 D HN 0.170 nan 8.370 nan 0.000 0.475 723 L N 0.020 121.290 121.223 0.078 0.000 2.042 723 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 723 L C 2.339 179.182 176.870 -0.045 0.000 1.076 723 L CA 0.803 55.676 54.840 0.054 0.000 0.749 723 L CB -0.465 41.502 42.059 -0.152 0.000 0.893 723 L HN -0.028 nan 8.230 nan 0.000 0.432 724 F N 0.859 120.475 119.950 -0.557 0.000 2.451 724 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 724 F C 2.277 177.937 175.800 -0.234 0.000 1.101 724 F CA 0.936 58.519 58.000 -0.695 0.000 1.436 724 F CB -0.628 38.022 39.000 -0.583 0.000 1.074 724 F HN 0.043 nan 8.300 nan 0.000 0.553 725 K N -0.283 120.168 120.400 0.085 0.000 2.432 725 K HA 0.229 4.549 4.320 -0.000 0.000 0.196 725 K C 1.188 177.869 176.600 0.134 0.000 1.038 725 K CA 0.517 56.851 56.287 0.079 0.000 0.986 725 K CB -0.283 32.236 32.500 0.032 0.000 0.782 725 K HN 0.291 nan 8.250 nan 0.000 0.485 726 G N -0.067 108.870 108.800 0.229 0.000 2.782 726 G HA2 0.053 4.013 3.960 -0.000 0.000 0.228 726 G HA3 0.053 4.013 3.960 -0.000 0.000 0.228 726 G C 0.232 175.273 174.900 0.234 0.000 1.372 726 G CA -0.491 44.774 45.100 0.275 0.000 0.862 726 G HN 0.620 nan 8.290 nan 0.000 0.547 727 G N -2.700 106.210 108.800 0.183 0.000 2.250 727 G HA2 0.550 4.510 3.960 -0.000 0.000 0.189 727 G HA3 0.550 4.510 3.960 -0.000 0.000 0.189 727 G C -0.289 174.684 174.900 0.121 0.000 1.298 727 G CA 0.586 45.782 45.100 0.159 0.000 1.246 727 G HN 2.252 nan 8.290 nan 0.000 0.513 728 T N 0.753 115.385 114.554 0.130 0.000 2.991 728 T HA 0.624 4.974 4.350 -0.000 0.000 0.303 728 T C -0.380 174.325 174.700 0.009 0.000 1.015 728 T CA -0.271 61.859 62.100 0.051 0.000 1.007 728 T CB 1.367 70.264 68.868 0.049 0.000 1.034 728 T HN 0.607 nan 8.240 nan 0.000 0.446 729 I N 3.106 123.603 120.570 -0.122 0.000 2.354 729 I HA 0.488 4.658 4.170 -0.000 0.000 0.292 729 I C -0.100 175.963 176.117 -0.090 0.000 0.989 729 I CA -0.941 60.229 61.300 -0.217 0.000 1.188 729 I CB 1.683 39.427 38.000 -0.427 0.000 1.342 729 I HN 0.327 nan 8.210 nan 0.000 0.457 730 K N 6.166 126.541 120.400 -0.042 0.000 2.244 730 K HA 0.609 4.929 4.320 -0.000 0.000 0.260 730 K C -1.497 175.103 176.600 -0.000 0.000 0.951 730 K CA -0.431 55.851 56.287 -0.009 0.000 0.826 730 K CB 1.605 34.114 32.500 0.015 0.000 1.108 730 K HN 0.356 nan 8.250 nan 0.000 0.433 731 V N 3.642 123.560 119.914 0.007 0.000 2.409 731 V HA 0.272 4.392 4.120 -0.000 0.000 0.290 731 V C -1.088 175.020 176.094 0.024 0.000 1.017 731 V CA -1.046 61.267 62.300 0.023 0.000 0.841 731 V CB 1.403 33.242 31.823 0.026 0.000 1.003 731 V HN 0.766 nan 8.190 nan 0.000 0.426 732 D N 5.858 126.275 120.400 0.028 0.000 2.336 732 D HA 0.406 5.046 4.640 -0.000 0.000 0.249 732 D C 0.119 176.431 176.300 0.021 0.000 1.213 732 D CA 0.004 54.015 54.000 0.020 0.000 0.870 732 D CB 0.845 41.655 40.800 0.017 0.000 1.076 732 D HN 0.246 nan 8.370 nan 0.000 0.483 733 M N 0.980 120.586 119.600 0.010 0.000 2.444 733 M HA 0.473 4.953 4.480 -0.000 0.000 0.319 733 M C 0.316 176.607 176.300 -0.016 0.000 1.183 733 M CA -0.543 54.760 55.300 0.004 0.000 1.032 733 M CB 1.379 33.974 32.600 -0.009 0.000 1.569 733 M HN 0.217 nan 8.290 nan 0.000 0.468 734 S N 0.482 116.166 115.700 -0.027 0.000 2.547 734 S HA 0.387 4.857 4.470 -0.000 0.000 0.270 734 S C 0.057 174.608 174.600 -0.082 0.000 1.150 734 S CA -0.699 57.474 58.200 -0.045 0.000 0.850 734 S CB 0.999 64.180 63.200 -0.031 0.000 1.118 734 S HN 0.756 nan 8.310 nan 0.000 0.461 735 N N 1.981 120.616 118.700 -0.107 0.000 2.398 735 N HA 0.101 4.841 4.740 -0.000 0.000 0.188 735 N C -0.113 175.376 175.510 -0.035 0.000 1.122 735 N CA 0.135 53.097 53.050 -0.147 0.000 0.866 735 N CB -0.045 38.363 38.487 -0.133 0.000 0.970 735 N HN 0.278 nan 8.380 nan 0.000 0.462 736 R N 1.249 121.690 120.500 -0.099 0.000 2.494 736 R HA 0.467 4.807 4.340 -0.000 0.000 0.305 736 R C -2.646 173.292 176.300 -0.604 0.000 0.959 736 R CA -2.083 53.835 56.100 -0.304 0.000 0.864 736 R CB 1.336 31.500 30.300 -0.227 0.000 1.159 736 R HN 0.140 nan 8.270 nan 0.000 0.446 737 P HA 0.028 nan 4.420 nan 0.000 0.271 737 P C -0.463 176.474 177.300 -0.604 0.000 1.216 737 P CA -0.326 62.117 63.100 -1.095 0.000 0.776 737 P CB 0.655 31.658 31.700 -1.161 0.000 0.881 738 N N 2.853 121.323 118.700 -0.383 0.000 2.500 738 N HA 0.084 4.824 4.740 -0.000 0.000 0.236 738 N C 0.686 175.943 175.510 -0.423 0.000 1.022 738 N CA -0.302 52.570 53.050 -0.296 0.000 0.935 738 N CB -0.179 38.242 38.487 -0.110 0.000 1.147 738 N HN 0.100 nan 8.380 nan 0.000 0.512 739 L N 2.755 123.585 121.223 -0.656 0.000 2.551 739 L HA 0.073 4.413 4.340 -0.000 0.000 0.228 739 L C 1.478 178.133 176.870 -0.358 0.000 1.153 739 L CA 0.784 55.055 54.840 -0.947 0.000 0.851 739 L CB -0.489 41.107 42.059 -0.772 0.000 0.959 739 L HN 0.538 nan 8.230 nan 0.000 0.451 740 N N -0.768 117.833 118.700 -0.165 0.000 2.414 740 N HA 0.019 4.759 4.740 -0.000 0.000 0.177 740 N C 0.945 176.488 175.510 0.056 0.000 1.062 740 N CA 0.010 53.044 53.050 -0.026 0.000 0.890 740 N CB 0.353 38.814 38.487 -0.044 0.000 1.070 740 N HN 0.239 nan 8.380 nan 0.000 0.454 741 R N 0.935 121.473 120.500 0.063 0.000 2.401 741 R HA 0.244 4.584 4.340 -0.000 0.000 0.299 741 R C 0.575 176.980 176.300 0.176 0.000 1.064 741 R CA 0.915 57.077 56.100 0.103 0.000 1.000 741 R CB -0.022 30.335 30.300 0.094 0.000 0.973 741 R HN 0.251 nan 8.270 nan 0.000 0.438 742 G N 2.989 111.867 108.800 0.130 0.000 2.160 742 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 742 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 742 G C 0.482 175.471 174.900 0.149 0.000 1.022 742 G CA 0.589 45.767 45.100 0.131 0.000 0.741 742 G HN 0.775 nan 8.290 nan 0.000 0.508 743 T N -2.866 111.779 114.554 0.151 0.000 3.069 743 T HA 0.416 4.766 4.350 -0.000 0.000 0.252 743 T C 0.911 175.671 174.700 0.100 0.000 1.053 743 T CA 0.553 62.745 62.100 0.153 0.000 0.964 743 T CB 0.572 69.552 68.868 0.187 0.000 1.005 743 T HN 0.496 nan 8.240 nan 0.000 0.532 744 K N 1.492 121.939 120.400 0.077 0.000 2.098 744 K HA 0.294 4.614 4.320 -0.000 0.000 0.261 744 K C 1.200 177.831 176.600 0.052 0.000 0.987 744 K CA -0.706 55.615 56.287 0.056 0.000 0.916 744 K CB 1.189 33.714 32.500 0.042 0.000 1.039 744 K HN -0.121 nan 8.250 nan 0.000 0.455 745 E N 2.650 122.876 120.200 0.043 0.000 2.110 745 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 745 E C 1.284 177.914 176.600 0.050 0.000 0.988 745 E CA 1.570 57.993 56.400 0.039 0.000 0.804 745 E CB 0.266 29.982 29.700 0.027 0.000 0.745 745 E HN 0.721 nan 8.360 nan 0.000 0.458 746 E N 0.223 120.452 120.200 0.049 0.000 2.338 746 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 746 E C 0.779 177.429 176.600 0.084 0.000 1.007 746 E CA 0.973 57.411 56.400 0.063 0.000 0.849 746 E CB -0.177 29.547 29.700 0.039 0.000 0.774 746 E HN 0.164 nan 8.360 nan 0.000 0.506 747 D N 0.347 120.786 120.400 0.065 0.000 2.347 747 D HA 0.033 4.673 4.640 -0.000 0.000 0.215 747 D C 0.558 176.950 176.300 0.153 0.000 0.976 747 D CA 0.436 54.472 54.000 0.061 0.000 0.884 747 D CB 0.068 40.892 40.800 0.040 0.000 0.915 747 D HN 0.181 nan 8.370 nan 0.000 0.526 748 M N 1.145 120.826 119.600 0.135 0.000 2.250 748 M HA 0.277 4.757 4.480 -0.000 0.000 0.344 748 M C -2.080 174.230 176.300 0.017 0.000 1.150 748 M CA -2.182 53.147 55.300 0.048 0.000 1.147 748 M CB 0.375 32.979 32.600 0.007 0.000 1.498 748 M HN -0.271 nan 8.290 nan 0.000 0.461 749 P HA 0.127 nan 4.420 nan 0.000 0.289 749 P C -0.874 176.276 177.300 -0.250 0.000 1.299 749 P CA -0.481 62.303 63.100 -0.528 0.000 0.766 749 P CB 0.252 31.607 31.700 -0.575 0.000 1.226 750 Y N 0.204 120.337 120.300 -0.279 0.000 2.610 750 Y HA 0.180 4.730 4.550 -0.000 0.000 0.332 750 Y C -0.242 175.714 175.900 0.093 0.000 1.201 750 Y CA 1.210 59.275 58.100 -0.058 0.000 1.465 750 Y CB 0.093 38.544 38.460 -0.015 0.000 1.283 750 Y HN 0.141 nan 8.280 nan 0.000 0.563 751 S N 7.317 122.693 115.700 -0.540 0.000 2.557 751 S HA 0.165 4.635 4.470 -0.000 0.000 0.291 751 S C 0.129 174.329 174.600 -0.666 0.000 1.116 751 S CA -0.818 57.126 58.200 -0.426 0.000 0.992 751 S CB 0.857 63.955 63.200 -0.169 0.000 1.028 751 S HN 0.759 nan 8.310 nan 0.000 0.484 752 F N 3.906 123.561 119.950 -0.492 0.000 2.120 752 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 752 F C 2.473 178.216 175.800 -0.095 0.000 1.095 752 F CA 2.328 60.259 58.000 -0.115 0.000 1.249 752 F CB -0.720 38.392 39.000 0.186 0.000 0.995 752 F HN 0.651 nan 8.300 nan 0.000 0.480 753 S N -0.901 114.685 115.700 -0.190 0.000 2.474 753 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 753 S C 1.643 176.115 174.600 -0.215 0.000 0.997 753 S CA 0.907 58.951 58.200 -0.260 0.000 0.949 753 S CB -0.533 62.574 63.200 -0.156 0.000 0.766 753 S HN 0.523 nan 8.310 nan 0.000 0.517 754 K N 0.882 121.161 120.400 -0.201 0.000 2.374 754 K HA 0.249 4.569 4.320 -0.000 0.000 0.196 754 K C 0.957 177.485 176.600 -0.119 0.000 1.023 754 K CA -0.046 56.151 56.287 -0.149 0.000 1.103 754 K CB 0.298 32.715 32.500 -0.137 0.000 0.848 754 K HN 0.592 nan 8.250 nan 0.000 0.528 755 E N 0.000 120.126 120.200 -0.124 0.000 2.725 755 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 755 E CA 0.000 56.417 56.400 0.028 0.000 0.976 755 E CB 0.000 29.859 29.700 0.265 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440