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 2ww0_1_D 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 YSFSKELE 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 0.000 176.042 176.600 -0.929 0.000 0.988 20 K CA 0.000 55.910 56.287 -0.628 0.000 0.838 20 K CB 0.000 32.080 32.500 -0.700 0.000 1.064 21 D N 0.799 120.710 120.400 -0.816 0.000 2.192 21 D HA 0.604 5.245 4.640 0.001 0.000 0.246 21 D C 0.289 176.125 176.300 -0.773 0.000 1.042 21 D CA -0.386 53.250 54.000 -0.608 0.000 0.847 21 D CB 0.775 41.354 40.800 -0.368 0.000 1.186 21 D HN 0.554 nan 8.370 nan 0.000 0.461 22 W N 2.057 123.228 121.300 -0.214 0.000 3.058 22 W HA 0.010 4.671 4.660 0.001 0.000 0.306 22 W C 1.781 178.157 176.519 -0.238 0.000 1.188 22 W CA 0.510 57.667 57.345 -0.314 0.000 1.651 22 W CB -0.123 29.031 29.460 -0.510 0.000 1.051 22 W HN 0.578 nan 8.180 nan 0.000 0.592 23 T N -0.698 113.870 114.554 0.024 0.000 2.881 23 T HA -0.292 4.059 4.350 0.001 0.000 0.270 23 T C 1.699 176.363 174.700 -0.061 0.000 1.068 23 T CA 1.651 63.770 62.100 0.032 0.000 1.131 23 T CB -0.432 68.520 68.868 0.139 0.000 0.871 23 T HN 0.359 nan 8.240 nan 0.000 0.479 24 Q N 0.038 119.708 119.800 -0.217 0.000 2.308 24 Q HA -0.180 4.160 4.340 0.001 0.000 0.209 24 Q C 1.429 177.273 176.000 -0.259 0.000 0.985 24 Q CA 1.497 57.117 55.803 -0.305 0.000 0.881 24 Q CB -0.829 27.599 28.738 -0.516 0.000 0.917 24 Q HN 0.631 nan 8.270 nan 0.000 0.443 25 Y N 0.509 120.838 120.300 0.048 0.000 2.523 25 Y HA 0.218 4.768 4.550 0.001 0.000 0.279 25 Y C 0.644 176.616 175.900 0.121 0.000 1.139 25 Y CA -0.582 57.606 58.100 0.146 0.000 1.296 25 Y CB 0.578 39.219 38.460 0.302 0.000 1.045 25 Y HN -0.110 nan 8.280 nan 0.000 0.538 26 V N 2.399 122.391 119.914 0.131 0.000 2.455 26 V HA 0.067 4.188 4.120 0.001 0.000 0.273 26 V C -0.129 175.889 176.094 -0.127 0.000 1.045 26 V CA -0.536 61.746 62.300 -0.031 0.000 0.976 26 V CB 0.608 32.253 31.823 -0.297 0.000 0.993 26 V HN 0.240 nan 8.190 nan 0.000 0.475 27 N N 7.450 126.109 118.700 -0.067 0.000 2.558 27 N HA 0.403 5.144 4.740 0.001 0.000 0.242 27 N C -1.996 173.470 175.510 -0.073 0.000 0.979 27 N CA -2.211 50.804 53.050 -0.059 0.000 0.931 27 N CB 2.032 40.527 38.487 0.013 0.000 1.122 27 N HN 0.199 nan 8.380 nan 0.000 0.508 28 P HA 0.036 nan 4.420 nan 0.000 0.234 28 P C 0.765 178.091 177.300 0.044 0.000 1.167 28 P CA 0.745 63.794 63.100 -0.086 0.000 0.763 28 P CB 0.313 31.898 31.700 -0.190 0.000 0.835 29 L N -2.235 119.027 121.223 0.065 0.000 2.567 29 L HA 0.194 4.534 4.340 0.001 0.000 0.225 29 L C 1.332 178.279 176.870 0.128 0.000 1.119 29 L CA -0.132 54.792 54.840 0.139 0.000 0.871 29 L CB -0.371 41.808 42.059 0.200 0.000 1.036 29 L HN 0.088 nan 8.230 nan 0.000 0.459 30 M N 0.919 120.580 119.600 0.101 0.000 2.307 30 M HA 0.170 4.651 4.480 0.001 0.000 0.346 30 M C 1.020 177.453 176.300 0.222 0.000 1.552 30 M CA 1.168 56.523 55.300 0.092 0.000 1.116 30 M CB 0.172 32.800 32.600 0.047 0.000 1.889 30 M HN 0.277 nan 8.290 nan 0.000 0.460 31 G N 2.261 111.187 108.800 0.209 0.000 2.176 31 G HA2 -0.275 3.686 3.960 0.001 0.000 0.232 31 G HA3 -0.275 3.686 3.960 0.001 0.000 0.232 31 G C 0.563 175.607 174.900 0.240 0.000 0.986 31 G CA 0.523 45.805 45.100 0.303 0.000 0.643 31 G HN 0.881 nan 8.290 nan 0.000 0.522 32 S N -0.888 114.962 115.700 0.250 0.000 2.527 32 S HA 0.220 4.690 4.470 0.001 0.000 0.222 32 S C 1.132 175.936 174.600 0.341 0.000 0.985 32 S CA 1.055 59.473 58.200 0.362 0.000 0.921 32 S CB 0.245 63.773 63.200 0.546 0.000 0.772 32 S HN 0.522 nan 8.310 nan 0.000 0.529 33 Q N 2.032 121.962 119.800 0.216 0.000 3.207 33 Q HA 0.368 4.708 4.340 0.001 0.000 0.335 33 Q C -0.985 175.108 176.000 0.156 0.000 1.374 33 Q CA -0.314 55.594 55.803 0.175 0.000 1.023 33 Q CB -0.032 28.725 28.738 0.030 0.000 1.576 33 Q HN 0.421 nan 8.270 nan 0.000 0.515 34 S N -0.213 115.611 115.700 0.207 0.000 2.600 34 S HA 0.684 5.155 4.470 0.001 0.000 0.300 34 S C -0.306 174.389 174.600 0.158 0.000 1.087 34 S CA -0.725 57.593 58.200 0.196 0.000 0.965 34 S CB 1.932 65.290 63.200 0.264 0.000 1.089 34 S HN 0.522 nan 8.310 nan 0.000 0.496 35 T N -1.626 112.978 114.554 0.083 0.000 2.887 35 T HA 0.540 4.891 4.350 0.001 0.000 0.292 35 T C 0.521 175.190 174.700 -0.052 0.000 1.087 35 T CA -0.770 61.284 62.100 -0.076 0.000 1.009 35 T CB 0.568 69.407 68.868 -0.048 0.000 1.203 35 T HN 0.336 nan 8.240 nan 0.000 0.518 36 F N 1.457 121.171 119.950 -0.394 0.000 2.154 36 F HA -0.059 4.469 4.527 0.001 0.000 0.301 36 F C 1.991 177.819 175.800 0.047 0.000 1.087 36 F CA 1.887 59.757 58.000 -0.216 0.000 1.274 36 F CB -0.138 38.659 39.000 -0.337 0.000 1.009 36 F HN 0.687 nan 8.300 nan 0.000 0.485 37 E N -0.168 120.114 120.200 0.135 0.000 2.230 37 E HA 0.131 4.482 4.350 0.001 0.000 0.192 37 E C -0.355 176.285 176.600 0.067 0.000 0.987 37 E CA 0.513 56.974 56.400 0.103 0.000 0.841 37 E CB 0.185 29.959 29.700 0.124 0.000 0.783 37 E HN 0.275 nan 8.360 nan 0.000 0.481 38 L N -0.055 121.205 121.223 0.062 0.000 2.482 38 L HA 0.385 4.726 4.340 0.001 0.000 0.269 38 L C -1.022 175.899 176.870 0.085 0.000 0.967 38 L CA -0.459 54.427 54.840 0.076 0.000 0.851 38 L CB 2.121 44.210 42.059 0.050 0.000 1.242 38 L HN -0.183 nan 8.230 nan 0.000 0.404 39 S N 1.441 117.214 115.700 0.121 0.000 2.513 39 S HA 0.460 4.930 4.470 0.001 0.000 0.276 39 S C 0.772 175.452 174.600 0.132 0.000 1.254 39 S CA 0.190 58.466 58.200 0.127 0.000 1.053 39 S CB 0.685 63.969 63.200 0.140 0.000 0.958 39 S HN 0.751 nan 8.310 nan 0.000 0.491 40 T N 1.360 115.998 114.554 0.140 0.000 3.215 40 T HA 0.548 4.899 4.350 0.001 0.000 0.271 40 T C 1.068 175.910 174.700 0.237 0.000 1.012 40 T CA 0.207 62.395 62.100 0.148 0.000 0.899 40 T CB 0.191 69.121 68.868 0.105 0.000 1.089 40 T HN 1.031 nan 8.240 nan 0.000 0.552 41 G N 1.432 110.346 108.800 0.190 0.000 3.505 41 G HA2 -0.117 3.844 3.960 0.001 0.000 0.210 41 G HA3 -0.117 3.844 3.960 0.001 0.000 0.210 41 G C 0.102 175.028 174.900 0.044 0.000 1.047 41 G CA -0.227 44.939 45.100 0.109 0.000 0.884 41 G HN 0.343 nan 8.290 nan 0.000 0.434 42 N N 1.506 120.274 118.700 0.113 0.000 2.727 42 N HA -0.139 4.602 4.740 0.001 0.000 0.251 42 N C 0.296 175.805 175.510 -0.002 0.000 1.040 42 N CA 1.910 54.994 53.050 0.055 0.000 0.712 42 N CB -1.572 36.916 38.487 0.002 0.000 0.912 42 N HN 1.354 nan 8.380 nan 0.000 0.545 43 T N -2.596 111.999 114.554 0.067 0.000 2.940 43 T HA 0.797 5.147 4.350 0.001 0.000 0.288 43 T C -0.092 174.688 174.700 0.134 0.000 1.045 43 T CA -0.792 61.313 62.100 0.007 0.000 1.018 43 T CB 2.202 71.075 68.868 0.008 0.000 1.151 43 T HN 0.238 nan 8.240 nan 0.000 0.529 44 Y N -2.252 118.111 120.300 0.105 0.000 2.633 44 Y HA 0.773 5.323 4.550 0.001 0.000 0.339 44 Y C -3.094 172.801 175.900 -0.007 0.000 1.045 44 Y CA -3.610 54.536 58.100 0.077 0.000 1.098 44 Y CB 0.228 38.731 38.460 0.071 0.000 1.296 44 Y HN 0.358 nan 8.280 nan 0.000 0.494 45 P HA 0.237 nan 4.420 nan 0.000 0.268 45 P C -0.739 176.595 177.300 0.057 0.000 1.485 45 P CA 0.051 63.113 63.100 -0.064 0.000 1.102 45 P CB 0.142 31.667 31.700 -0.291 0.000 1.501 46 A N 5.792 128.622 122.820 0.017 0.000 2.544 46 A HA 0.254 4.575 4.320 0.001 0.000 0.301 46 A C 0.286 177.830 177.584 -0.067 0.000 1.368 46 A CA -0.243 51.769 52.037 -0.041 0.000 1.045 46 A CB -0.691 18.061 19.000 -0.412 0.000 1.129 46 A HN 0.345 nan 8.150 nan 0.000 0.540 47 I N 2.359 122.919 120.570 -0.016 0.000 2.291 47 I HA 0.545 4.716 4.170 0.001 0.000 0.292 47 I C 0.586 176.744 176.117 0.069 0.000 1.064 47 I CA 0.068 61.366 61.300 -0.003 0.000 1.269 47 I CB -0.389 37.603 38.000 -0.012 0.000 1.418 47 I HN 0.672 nan 8.210 nan 0.000 0.485 48 A N 7.197 130.077 122.820 0.100 0.000 2.586 48 A HA 0.737 5.058 4.320 0.001 0.000 0.290 48 A C -0.358 177.463 177.584 0.396 0.000 1.086 48 A CA -0.875 51.260 52.037 0.163 0.000 0.665 48 A CB 1.721 20.581 19.000 -0.233 0.000 1.279 48 A HN 0.442 nan 8.150 nan 0.000 0.423 49 R N -0.061 120.604 120.500 0.276 0.000 2.637 49 R HA 0.426 4.767 4.340 0.001 0.000 0.269 49 R C -2.603 173.625 176.300 -0.121 0.000 1.089 49 R CA -1.959 54.196 56.100 0.091 0.000 1.177 49 R CB -0.461 29.867 30.300 0.047 0.000 1.091 49 R HN 0.405 nan 8.270 nan 0.000 0.540 50 P HA -0.116 nan 4.420 nan 0.000 0.261 50 P C -0.314 176.841 177.300 -0.242 0.000 1.183 50 P CA 0.480 62.996 63.100 -0.973 0.000 0.761 50 P CB 0.168 31.122 31.700 -1.243 0.000 0.785 51 W N 0.470 121.786 121.300 0.027 0.000 4.551 51 W HA -0.154 4.506 4.660 0.001 0.000 0.343 51 W C 0.693 177.337 176.519 0.209 0.000 1.269 51 W CA 0.872 58.314 57.345 0.161 0.000 0.799 51 W CB -2.408 27.169 29.460 0.196 0.000 2.352 51 W HN 0.458 nan 8.180 nan 0.000 1.462 52 G N 0.722 109.786 108.800 0.440 0.000 2.491 52 G HA2 0.235 4.195 3.960 0.001 0.000 0.238 52 G HA3 0.235 4.195 3.960 0.001 0.000 0.238 52 G C 0.812 175.895 174.900 0.305 0.000 1.277 52 G CA 0.204 45.536 45.100 0.386 0.000 0.851 52 G HN 0.249 nan 8.290 nan 0.000 0.573 53 M N 1.339 121.046 119.600 0.178 0.000 2.132 53 M HA -0.011 4.469 4.480 0.001 0.000 0.263 53 M C 0.128 176.549 176.300 0.202 0.000 1.065 53 M CA 1.084 56.481 55.300 0.162 0.000 1.122 53 M CB 0.010 32.681 32.600 0.119 0.000 1.365 53 M HN 0.400 nan 8.290 nan 0.000 0.411 54 N N 0.295 119.094 118.700 0.164 0.000 2.392 54 N HA 0.288 5.028 4.740 0.001 0.000 0.283 54 N C -1.549 174.032 175.510 0.118 0.000 1.003 54 N CA -0.290 52.732 53.050 -0.048 0.000 0.892 54 N CB 1.170 39.680 38.487 0.038 0.000 1.193 54 N HN 0.002 nan 8.380 nan 0.000 0.487 55 F N 0.663 120.408 119.950 -0.341 0.000 2.397 55 F HA 0.479 5.007 4.527 0.001 0.000 0.331 55 F C 0.081 175.645 175.800 -0.394 0.000 1.090 55 F CA -1.267 56.630 58.000 -0.170 0.000 1.065 55 F CB 0.621 39.594 39.000 -0.045 0.000 1.184 55 F HN 0.295 nan 8.300 nan 0.000 0.499 56 W N 0.419 121.780 121.300 0.101 0.000 2.736 56 W HA 0.583 5.243 4.660 0.001 0.000 0.335 56 W C -0.186 176.302 176.519 -0.052 0.000 1.059 56 W CA -0.565 56.770 57.345 -0.016 0.000 1.226 56 W CB 2.138 31.576 29.460 -0.037 0.000 1.416 56 W HN 0.411 nan 8.180 nan 0.000 0.505 57 T N 3.658 118.277 114.554 0.109 0.000 2.894 57 T HA 0.495 4.846 4.350 0.001 0.000 0.309 57 T C -2.842 171.802 174.700 -0.094 0.000 1.208 57 T CA -2.235 59.824 62.100 -0.069 0.000 1.016 57 T CB 1.482 70.286 68.868 -0.107 0.000 1.192 57 T HN 0.082 nan 8.240 nan 0.000 0.491 58 P HA 0.162 nan 4.420 nan 0.000 0.271 58 P C -1.207 176.026 177.300 -0.112 0.000 1.216 58 P CA -0.146 62.781 63.100 -0.287 0.000 0.776 58 P CB 0.489 32.011 31.700 -0.297 0.000 0.881 59 Q N 1.677 121.346 119.800 -0.218 0.000 2.357 59 Q HA 0.270 4.610 4.340 0.001 0.000 0.266 59 Q C 0.636 176.549 176.000 -0.145 0.000 1.021 59 Q CA -0.380 55.355 55.803 -0.113 0.000 0.784 59 Q CB 0.995 29.666 28.738 -0.111 0.000 1.243 59 Q HN 0.512 nan 8.270 nan 0.000 0.465 60 T N -0.098 114.403 114.554 -0.090 0.000 3.033 60 T HA 0.224 4.575 4.350 0.001 0.000 0.248 60 T C 0.968 175.607 174.700 -0.102 0.000 1.040 60 T CA 0.443 62.458 62.100 -0.141 0.000 1.133 60 T CB 0.048 68.793 68.868 -0.206 0.000 0.895 60 T HN 0.525 nan 8.240 nan 0.000 0.465 61 G N 1.522 110.293 108.800 -0.049 0.000 2.636 61 G HA2 0.411 4.372 3.960 0.001 0.000 0.246 61 G HA3 0.411 4.372 3.960 0.001 0.000 0.246 61 G C -0.512 174.357 174.900 -0.052 0.000 1.216 61 G CA -0.746 44.339 45.100 -0.025 0.000 0.854 61 G HN 0.471 nan 8.290 nan 0.000 0.572 62 K N 0.246 120.613 120.400 -0.055 0.000 2.168 62 K HA 0.141 4.462 4.320 0.001 0.000 0.258 62 K C 0.821 177.369 176.600 -0.088 0.000 1.010 62 K CA -0.415 55.821 56.287 -0.084 0.000 0.929 62 K CB 0.951 33.404 32.500 -0.079 0.000 0.998 62 K HN 0.548 nan 8.250 nan 0.000 0.479 63 M N 1.512 121.008 119.600 -0.173 0.000 2.286 63 M HA -0.107 4.373 4.480 0.001 0.000 0.365 63 M C 0.676 176.914 176.300 -0.104 0.000 1.443 63 M CA 1.983 57.130 55.300 -0.256 0.000 0.951 63 M CB -0.333 31.912 32.600 -0.591 0.000 1.961 63 M HN 0.984 nan 8.290 nan 0.000 0.468 64 G N 3.153 111.960 108.800 0.010 0.000 2.232 64 G HA2 -0.225 3.736 3.960 0.001 0.000 0.226 64 G HA3 -0.225 3.736 3.960 0.001 0.000 0.226 64 G C -0.226 174.702 174.900 0.046 0.000 0.996 64 G CA 0.157 45.282 45.100 0.042 0.000 0.626 64 G HN 0.790 nan 8.290 nan 0.000 0.509 65 D N 1.246 121.672 120.400 0.044 0.000 2.317 65 D HA 0.486 5.127 4.640 0.001 0.000 0.252 65 D C 1.731 178.081 176.300 0.083 0.000 1.174 65 D CA 0.580 54.632 54.000 0.087 0.000 0.866 65 D CB 0.770 41.623 40.800 0.089 0.000 1.127 65 D HN 0.234 nan 8.370 nan 0.000 0.467 66 G N 3.796 112.638 108.800 0.071 0.000 2.475 66 G HA2 -0.243 3.718 3.960 0.001 0.000 0.220 66 G HA3 -0.243 3.718 3.960 0.001 0.000 0.220 66 G C 0.664 175.378 174.900 -0.310 0.000 1.125 66 G CA 0.061 45.040 45.100 -0.202 0.000 0.755 66 G HN 0.585 nan 8.290 nan 0.000 0.565 67 W N 2.016 123.263 121.300 -0.089 0.000 2.085 67 W HA 0.257 4.918 4.660 0.001 0.000 0.392 67 W C 1.334 177.843 176.519 -0.017 0.000 0.862 67 W CA -0.467 56.851 57.345 -0.045 0.000 1.542 67 W CB 0.017 29.442 29.460 -0.058 0.000 1.672 67 W HN 0.524 nan 8.180 nan 0.000 0.309 68 Q N 1.268 121.117 119.800 0.082 0.000 2.331 68 Q HA -0.112 4.228 4.340 0.001 0.000 0.203 68 Q C -0.025 176.046 176.000 0.117 0.000 0.944 68 Q CA 1.010 56.836 55.803 0.039 0.000 0.892 68 Q CB 0.256 28.937 28.738 -0.095 0.000 0.983 68 Q HN 0.396 nan 8.270 nan 0.000 0.482 69 Y N 1.515 121.858 120.300 0.072 0.000 2.354 69 Y HA 0.367 4.918 4.550 0.001 0.000 0.330 69 Y C -1.364 174.664 175.900 0.214 0.000 1.011 69 Y CA -0.667 57.505 58.100 0.119 0.000 1.099 69 Y CB 2.061 40.596 38.460 0.124 0.000 1.179 69 Y HN 0.077 nan 8.280 nan 0.000 0.442 70 T N 2.079 116.555 114.554 -0.129 0.000 2.861 70 T HA 0.171 4.521 4.350 0.001 0.000 0.287 70 T C 0.191 174.857 174.700 -0.056 0.000 1.003 70 T CA -0.575 61.559 62.100 0.057 0.000 0.977 70 T CB 1.125 70.054 68.868 0.101 0.000 0.996 70 T HN 0.752 nan 8.240 nan 0.000 0.448 71 Y N 3.287 123.638 120.300 0.086 0.000 2.256 71 Y HA -0.129 4.421 4.550 0.001 0.000 0.288 71 Y C 2.449 178.463 175.900 0.191 0.000 1.155 71 Y CA 2.269 60.471 58.100 0.169 0.000 1.203 71 Y CB -0.188 38.339 38.460 0.112 0.000 0.980 71 Y HN 0.859 nan 8.280 nan 0.000 0.530 72 T N -1.590 113.049 114.554 0.142 0.000 3.129 72 T HA 0.427 4.778 4.350 0.001 0.000 0.251 72 T C 0.690 175.326 174.700 -0.106 0.000 1.117 72 T CA 0.136 62.258 62.100 0.036 0.000 1.034 72 T CB -0.493 68.414 68.868 0.065 0.000 0.968 72 T HN 0.345 nan 8.240 nan 0.000 0.526 73 A N 1.730 124.457 122.820 -0.154 0.000 2.407 73 A HA 0.466 4.786 4.320 0.001 0.000 0.248 73 A C 1.135 178.509 177.584 -0.350 0.000 1.082 73 A CA -0.657 51.248 52.037 -0.220 0.000 0.785 73 A CB 0.270 19.155 19.000 -0.192 0.000 1.020 73 A HN 0.247 nan 8.150 nan 0.000 0.489 74 N N 0.351 118.766 118.700 -0.475 0.000 2.409 74 N HA 0.039 4.780 4.740 0.001 0.000 0.174 74 N C -0.135 174.994 175.510 -0.636 0.000 1.037 74 N CA 0.975 53.514 53.050 -0.851 0.000 0.898 74 N CB 0.168 37.788 38.487 -1.446 0.000 1.010 74 N HN 0.633 nan 8.380 nan 0.000 0.445 75 K N 0.448 120.652 120.400 -0.327 0.000 2.318 75 K HA 0.492 4.813 4.320 0.001 0.000 0.249 75 K C -0.638 175.925 176.600 -0.062 0.000 0.942 75 K CA -0.576 55.618 56.287 -0.155 0.000 0.808 75 K CB 2.601 34.926 32.500 -0.291 0.000 1.189 75 K HN -0.150 nan 8.250 nan 0.000 0.428 76 I N 2.803 123.296 120.570 -0.129 0.000 2.377 76 I HA 0.260 4.431 4.170 0.001 0.000 0.293 76 I C 1.317 177.293 176.117 -0.234 0.000 0.987 76 I CA -0.366 60.750 61.300 -0.307 0.000 1.185 76 I CB 1.237 38.914 38.000 -0.538 0.000 1.341 76 I HN 0.663 nan 8.210 nan 0.000 0.455 77 R N 4.269 124.624 120.500 -0.242 0.000 2.476 77 R HA 0.515 4.856 4.340 0.001 0.000 0.276 77 R C 0.131 176.317 176.300 -0.189 0.000 0.941 77 R CA -0.151 55.842 56.100 -0.179 0.000 1.088 77 R CB 0.915 31.122 30.300 -0.156 0.000 1.216 77 R HN 0.746 nan 8.270 nan 0.000 0.533 78 G N 0.554 109.171 108.800 -0.305 0.000 2.325 78 G HA2 0.355 4.315 3.960 0.001 0.000 0.297 78 G HA3 0.355 4.315 3.960 0.001 0.000 0.297 78 G C -1.927 172.696 174.900 -0.460 0.000 1.448 78 G CA -0.947 44.016 45.100 -0.229 0.000 0.838 78 G HN 0.038 nan 8.290 nan 0.000 0.579 79 F N 1.105 121.109 119.950 0.091 0.000 2.402 79 F HA 0.608 5.135 4.527 0.001 0.000 0.355 79 F C 0.571 176.511 175.800 0.233 0.000 1.123 79 F CA -0.657 57.465 58.000 0.205 0.000 1.021 79 F CB 2.293 41.532 39.000 0.398 0.000 1.160 79 F HN 0.375 nan 8.300 nan 0.000 0.451 80 K N 3.095 123.611 120.400 0.194 0.000 2.164 80 K HA 0.318 4.638 4.320 0.001 0.000 0.258 80 K C -0.691 175.579 176.600 -0.550 0.000 0.951 80 K CA -0.695 55.497 56.287 -0.158 0.000 0.844 80 K CB 1.430 33.812 32.500 -0.197 0.000 1.099 80 K HN 0.681 nan 8.250 nan 0.000 0.435 81 Q N 2.596 121.585 119.800 -1.350 0.000 2.294 81 Q HA 0.136 4.476 4.340 0.001 0.000 0.257 81 Q C -1.218 174.166 176.000 -1.026 0.000 0.955 81 Q CA 0.029 54.734 55.803 -1.831 0.000 0.936 81 Q CB 1.444 28.876 28.738 -2.176 0.000 1.188 81 Q HN 0.657 nan 8.270 nan 0.000 0.420 82 T N 2.245 116.285 114.554 -0.856 0.000 2.906 82 T HA 0.417 4.768 4.350 0.001 0.000 0.295 82 T C -0.729 173.520 174.700 -0.752 0.000 1.061 82 T CA -0.422 61.313 62.100 -0.609 0.000 1.000 82 T CB 0.933 69.518 68.868 -0.473 0.000 1.103 82 T HN 0.785 nan 8.240 nan 0.000 0.486 83 H N 0.517 119.369 119.070 -0.363 0.000 3.078 83 H HA 0.367 4.924 4.556 0.001 0.000 0.263 83 H C 0.539 175.834 175.328 -0.055 0.000 1.177 83 H CA -0.372 55.452 56.048 -0.374 0.000 1.128 83 H CB 0.554 29.851 29.762 -0.776 0.000 1.623 83 H HN 0.424 nan 8.280 nan 0.000 0.592 84 Q N 3.607 123.473 119.800 0.111 0.000 2.255 84 Q HA 0.006 4.347 4.340 0.001 0.000 0.280 84 Q C -1.563 174.704 176.000 0.444 0.000 1.068 84 Q CA -1.306 54.631 55.803 0.222 0.000 0.911 84 Q CB 0.993 29.783 28.738 0.087 0.000 1.157 84 Q HN 0.240 nan 8.270 nan 0.000 0.380 85 P HA 0.055 nan 4.420 nan 0.000 0.239 85 P C -0.363 176.934 177.300 -0.004 0.000 1.188 85 P CA 0.304 63.420 63.100 0.026 0.000 0.794 85 P CB 0.714 32.498 31.700 0.140 0.000 0.937 86 S N -0.488 115.237 115.700 0.042 0.000 2.556 86 S HA 0.342 4.812 4.470 0.001 0.000 0.280 86 S C -2.462 172.010 174.600 -0.214 0.000 1.141 86 S CA -1.110 57.069 58.200 -0.036 0.000 0.883 86 S CB 1.286 64.537 63.200 0.085 0.000 1.103 86 S HN -0.273 nan 8.310 nan 0.000 0.453 87 P HA -0.060 nan 4.420 nan 0.000 0.217 87 P C 0.889 177.736 177.300 -0.754 0.000 1.148 87 P CA 1.322 63.822 63.100 -1.000 0.000 0.828 87 P CB -0.146 30.234 31.700 -2.201 0.000 0.783 88 W N -0.332 120.799 121.300 -0.282 0.000 2.418 88 W HA -0.016 4.645 4.660 0.001 0.000 0.292 88 W C 2.323 178.744 176.519 -0.163 0.000 1.213 88 W CA -0.038 57.218 57.345 -0.147 0.000 1.283 88 W CB -0.790 28.612 29.460 -0.097 0.000 1.119 88 W HN -0.172 nan 8.180 nan 0.000 0.542 89 I N -0.340 120.213 120.570 -0.027 0.000 2.584 89 I HA -0.083 4.088 4.170 0.001 0.000 0.255 89 I C 1.164 177.233 176.117 -0.081 0.000 1.145 89 I CA 0.960 62.167 61.300 -0.155 0.000 1.462 89 I CB -1.455 36.347 38.000 -0.329 0.000 1.102 89 I HN 0.147 nan 8.210 nan 0.000 0.433 90 N N 1.071 119.729 118.700 -0.071 0.000 6.891 90 N HA -0.201 4.539 4.740 0.001 0.000 0.420 90 N C -0.432 175.102 175.510 0.040 0.000 0.939 90 N CA 0.912 53.941 53.050 -0.034 0.000 1.300 90 N CB -0.344 38.135 38.487 -0.013 0.000 0.824 90 N HN 0.170 nan 8.380 nan 0.000 0.284 91 D N -0.793 119.642 120.400 0.059 0.000 2.384 91 D HA 0.731 5.372 4.640 0.001 0.000 0.250 91 D C -0.730 175.683 176.300 0.188 0.000 1.029 91 D CA 0.068 54.115 54.000 0.078 0.000 0.990 91 D CB 0.864 41.657 40.800 -0.012 0.000 1.175 91 D HN 0.431 nan 8.370 nan 0.000 0.532 92 Y N -2.878 117.486 120.300 0.107 0.000 2.656 92 Y HA 0.490 5.041 4.550 0.001 0.000 0.334 92 Y C 0.282 176.387 175.900 0.342 0.000 1.179 92 Y CA -1.044 57.141 58.100 0.142 0.000 1.050 92 Y CB 0.865 39.291 38.460 -0.057 0.000 1.308 92 Y HN 0.514 nan 8.280 nan 0.000 0.456 93 G N 1.919 111.078 108.800 0.597 0.000 2.350 93 G HA2 -0.145 3.816 3.960 0.001 0.000 0.298 93 G HA3 -0.145 3.816 3.960 0.001 0.000 0.298 93 G C -0.787 174.243 174.900 0.217 0.000 1.037 93 G CA 0.372 45.762 45.100 0.483 0.000 1.074 93 G HN 0.980 nan 8.290 nan 0.000 0.511 94 Q N -0.859 118.954 119.800 0.020 0.000 2.330 94 Q HA 0.830 5.171 4.340 0.001 0.000 0.269 94 Q C -0.326 175.298 176.000 -0.628 0.000 1.022 94 Q CA -1.231 54.335 55.803 -0.396 0.000 0.796 94 Q CB 2.024 30.449 28.738 -0.523 0.000 1.271 94 Q HN 0.983 nan 8.270 nan 0.000 0.450 95 F N -0.910 118.550 119.950 -0.815 0.000 2.711 95 F HA 0.840 5.368 4.527 0.001 0.000 0.313 95 F C -1.228 174.335 175.800 -0.394 0.000 1.141 95 F CA -0.850 56.726 58.000 -0.707 0.000 0.941 95 F CB 1.402 40.088 39.000 -0.523 0.000 1.349 95 F HN 0.690 nan 8.300 nan 0.000 0.464 96 S N 1.309 117.002 115.700 -0.010 0.000 2.661 96 S HA 0.853 5.324 4.470 0.001 0.000 0.285 96 S C -1.588 173.116 174.600 0.173 0.000 1.138 96 S CA -0.759 57.468 58.200 0.044 0.000 0.855 96 S CB 2.057 65.365 63.200 0.179 0.000 1.136 96 S HN 1.176 nan 8.310 nan 0.000 0.484 97 I N 0.973 121.635 120.570 0.152 0.000 2.686 97 I HA 0.755 4.926 4.170 0.001 0.000 0.295 97 I C -2.002 174.202 176.117 0.146 0.000 1.114 97 I CA -1.124 60.243 61.300 0.111 0.000 1.038 97 I CB 2.134 40.109 38.000 -0.041 0.000 1.238 97 I HN 0.907 nan 8.210 nan 0.000 0.420 98 M N 10.509 130.144 119.600 0.059 0.000 2.255 98 M HA 0.552 5.033 4.480 0.001 0.000 0.275 98 M C -2.943 173.273 176.300 -0.140 0.000 1.050 98 M CA -1.649 53.681 55.300 0.050 0.000 0.978 98 M CB 2.320 34.920 32.600 0.001 0.000 1.761 98 M HN 0.135 nan 8.290 nan 0.000 0.479 99 P HA 0.591 nan 4.420 nan 0.000 0.282 99 P C -1.076 176.020 177.300 -0.339 0.000 1.249 99 P CA -0.285 62.560 63.100 -0.425 0.000 0.806 99 P CB 0.891 32.084 31.700 -0.845 0.000 0.984 100 I N -1.297 119.107 120.570 -0.278 0.000 3.352 100 I HA 0.758 4.928 4.170 0.001 0.000 0.316 100 I C -1.572 174.466 176.117 -0.131 0.000 1.214 100 I CA -1.392 59.526 61.300 -0.636 0.000 0.934 100 I CB 2.144 39.816 38.000 -0.545 0.000 1.310 100 I HN 0.064 nan 8.210 nan 0.000 0.475 101 V N 0.701 120.563 119.914 -0.086 0.000 3.012 101 V HA 0.828 4.949 4.120 0.001 0.000 0.307 101 V C 0.482 176.697 176.094 0.202 0.000 1.166 101 V CA 0.683 63.079 62.300 0.160 0.000 0.974 101 V CB 1.329 33.279 31.823 0.212 0.000 1.040 101 V HN 1.469 nan 8.190 nan 0.000 0.428 102 G N 3.533 112.470 108.800 0.228 0.000 2.848 102 G HA2 -0.131 3.829 3.960 0.001 0.000 0.246 102 G HA3 -0.131 3.829 3.960 0.001 0.000 0.246 102 G C -0.440 174.541 174.900 0.135 0.000 1.374 102 G CA -0.135 45.072 45.100 0.177 0.000 0.982 102 G HN 0.679 nan 8.290 nan 0.000 0.563 103 Q N 2.576 122.381 119.800 0.009 0.000 2.293 103 Q HA 0.451 4.792 4.340 0.001 0.000 0.251 103 Q C -2.170 173.641 176.000 -0.316 0.000 0.930 103 Q CA -1.562 54.158 55.803 -0.138 0.000 0.893 103 Q CB 1.255 29.926 28.738 -0.111 0.000 1.215 103 Q HN 0.475 nan 8.270 nan 0.000 0.425 104 P HA 0.063 nan 4.420 nan 0.000 0.277 104 P C -0.622 176.423 177.300 -0.425 0.000 1.354 104 P CA -0.128 62.378 63.100 -0.991 0.000 0.891 104 P CB 0.218 31.084 31.700 -1.390 0.000 1.058 105 V N 1.593 121.344 119.914 -0.272 0.000 2.604 105 V HA 0.462 4.583 4.120 0.001 0.000 0.305 105 V C 0.165 176.232 176.094 -0.045 0.000 1.043 105 V CA -0.684 61.546 62.300 -0.117 0.000 0.888 105 V CB 1.768 33.540 31.823 -0.085 0.000 0.995 105 V HN 0.285 nan 8.190 nan 0.000 0.429 106 F N 2.497 122.365 119.950 -0.136 0.000 2.582 106 F HA 0.305 4.832 4.527 0.001 0.000 0.290 106 F C 1.292 177.031 175.800 -0.101 0.000 1.115 106 F CA 0.289 58.218 58.000 -0.119 0.000 1.445 106 F CB 0.239 39.158 39.000 -0.134 0.000 1.126 106 F HN 0.822 nan 8.300 nan 0.000 0.574 107 D N 2.255 122.628 120.400 -0.045 0.000 2.583 107 D HA -0.166 4.474 4.640 0.001 0.000 0.232 107 D C 0.992 177.162 176.300 -0.216 0.000 1.128 107 D CA 0.719 54.652 54.000 -0.111 0.000 0.859 107 D CB 0.865 41.640 40.800 -0.042 0.000 1.169 107 D HN 0.693 nan 8.370 nan 0.000 0.481 108 E N 2.212 122.272 120.200 -0.233 0.000 2.478 108 E HA -0.115 4.236 4.350 0.001 0.000 0.198 108 E C 0.762 177.272 176.600 -0.149 0.000 1.046 108 E CA 0.782 57.045 56.400 -0.229 0.000 0.870 108 E CB 0.100 29.663 29.700 -0.227 0.000 0.818 108 E HN 0.583 nan 8.360 nan 0.000 0.527 109 E N 1.122 121.255 120.200 -0.111 0.000 2.206 109 E HA 0.045 4.396 4.350 0.001 0.000 0.195 109 E C 1.763 178.326 176.600 -0.061 0.000 0.935 109 E CA 0.062 56.411 56.400 -0.085 0.000 0.875 109 E CB 0.134 29.791 29.700 -0.071 0.000 0.841 109 E HN 0.134 nan 8.360 nan 0.000 0.477 110 K N 1.350 121.718 120.400 -0.054 0.000 2.209 110 K HA -0.112 4.208 4.320 0.001 0.000 0.204 110 K C 2.235 178.834 176.600 -0.003 0.000 1.048 110 K CA 1.075 57.345 56.287 -0.028 0.000 0.940 110 K CB -0.073 32.409 32.500 -0.030 0.000 0.729 110 K HN 0.080 nan 8.250 nan 0.000 0.451 111 R N 0.553 121.036 120.500 -0.029 0.000 2.276 111 R HA 0.191 4.531 4.340 0.001 0.000 0.196 111 R C 0.589 176.958 176.300 0.114 0.000 0.961 111 R CA 0.187 56.302 56.100 0.026 0.000 1.024 111 R CB 0.010 30.264 30.300 -0.077 0.000 0.940 111 R HN -0.089 nan 8.270 nan 0.000 0.480 112 A N 1.430 124.257 122.820 0.012 0.000 2.425 112 A HA 0.306 4.627 4.320 0.001 0.000 0.242 112 A C -0.248 177.319 177.584 -0.028 0.000 1.077 112 A CA 0.000 52.024 52.037 -0.022 0.000 0.781 112 A CB 0.780 19.729 19.000 -0.086 0.000 1.020 112 A HN 0.358 nan 8.150 nan 0.000 0.494 113 S N 0.245 115.918 115.700 -0.045 0.000 2.536 113 S HA 0.519 4.989 4.470 0.001 0.000 0.287 113 S C -0.868 173.767 174.600 0.059 0.000 1.101 113 S CA -0.553 57.608 58.200 -0.065 0.000 0.950 113 S CB 0.324 63.453 63.200 -0.117 0.000 1.056 113 S HN 0.576 nan 8.310 nan 0.000 0.481 114 W N 4.084 125.361 121.300 -0.038 0.000 2.187 114 W HA 0.381 5.042 4.660 0.001 0.000 0.348 114 W C 0.182 176.790 176.519 0.148 0.000 1.282 114 W CA 0.601 57.961 57.345 0.024 0.000 1.271 114 W CB 0.385 29.820 29.460 -0.042 0.000 1.170 114 W HN 0.595 nan 8.180 nan 0.000 0.583 115 F N 0.325 120.385 119.950 0.184 0.000 2.779 115 F HA 0.845 5.372 4.527 0.001 0.000 0.316 115 F C -1.305 174.547 175.800 0.087 0.000 1.164 115 F CA -1.981 56.092 58.000 0.121 0.000 0.924 115 F CB 0.488 39.510 39.000 0.037 0.000 1.348 115 F HN 0.445 nan 8.300 nan 0.000 0.467 116 A N 0.174 122.853 122.820 -0.235 0.000 2.498 116 A HA 0.572 4.893 4.320 0.001 0.000 0.298 116 A C -0.066 177.379 177.584 -0.232 0.000 1.075 116 A CA -0.698 51.068 52.037 -0.452 0.000 0.714 116 A CB 0.658 19.591 19.000 -0.112 0.000 1.299 116 A HN 0.980 nan 8.150 nan 0.000 0.407 117 H N 1.030 120.024 119.070 -0.126 0.000 2.421 117 H HA -0.073 4.483 4.556 0.001 0.000 0.298 117 H C 0.934 176.337 175.328 0.126 0.000 1.087 117 H CA 1.864 57.962 56.048 0.084 0.000 1.330 117 H CB 0.165 29.950 29.762 0.039 0.000 1.388 117 H HN 0.675 nan 8.280 nan 0.000 0.526 118 K N 0.288 120.795 120.400 0.179 0.000 2.515 118 K HA -0.019 4.301 4.320 0.001 0.000 0.196 118 K C 1.620 178.289 176.600 0.114 0.000 1.038 118 K CA 0.664 57.030 56.287 0.132 0.000 0.967 118 K CB 0.237 32.791 32.500 0.091 0.000 0.780 118 K HN 0.207 nan 8.250 nan 0.000 0.483 119 G N 0.926 109.816 108.800 0.150 0.000 3.453 119 G HA2 -0.019 3.942 3.960 0.001 0.000 0.263 119 G HA3 -0.019 3.942 3.960 0.001 0.000 0.263 119 G C -0.397 174.617 174.900 0.189 0.000 1.060 119 G CA -0.224 44.979 45.100 0.170 0.000 0.793 119 G HN 0.160 nan 8.290 nan 0.000 0.532 120 E N 0.355 120.659 120.200 0.174 0.000 2.248 120 E HA 0.549 4.899 4.350 0.001 0.000 0.267 120 E C -1.689 174.915 176.600 0.008 0.000 0.877 120 E CA -0.560 55.897 56.400 0.095 0.000 0.759 120 E CB 2.730 32.612 29.700 0.303 0.000 1.182 120 E HN -0.123 nan 8.360 nan 0.000 0.418 121 V N 2.729 122.533 119.914 -0.183 0.000 2.409 121 V HA 0.605 4.725 4.120 0.001 0.000 0.290 121 V C -0.628 175.324 176.094 -0.237 0.000 1.017 121 V CA -0.569 61.659 62.300 -0.119 0.000 0.841 121 V CB 1.249 33.055 31.823 -0.029 0.000 1.003 121 V HN 0.740 nan 8.190 nan 0.000 0.426 122 A N 3.856 126.633 122.820 -0.071 0.000 2.291 122 A HA 0.890 5.211 4.320 0.001 0.000 0.311 122 A C 0.100 177.616 177.584 -0.114 0.000 1.224 122 A CA -0.255 51.786 52.037 0.008 0.000 0.821 122 A CB 1.178 20.291 19.000 0.189 0.000 1.172 122 A HN 0.908 nan 8.150 nan 0.000 0.494 123 T N -0.221 114.193 114.554 -0.233 0.000 2.901 123 T HA 0.675 5.026 4.350 0.001 0.000 0.293 123 T C -2.493 171.900 174.700 -0.511 0.000 1.084 123 T CA -1.838 59.991 62.100 -0.450 0.000 1.008 123 T CB 1.763 70.157 68.868 -0.791 0.000 1.170 123 T HN 0.102 nan 8.240 nan 0.000 0.509 124 P HA -0.019 nan 4.420 nan 0.000 0.219 124 P C 0.688 177.882 177.300 -0.178 0.000 1.146 124 P CA 1.091 63.836 63.100 -0.591 0.000 0.808 124 P CB -0.284 30.651 31.700 -1.274 0.000 0.779 125 Y N -4.734 115.545 120.300 -0.034 0.000 2.481 125 Y HA 0.481 5.032 4.550 0.001 0.000 0.247 125 Y C 0.145 176.140 175.900 0.160 0.000 1.151 125 Y CA -1.191 56.990 58.100 0.134 0.000 1.238 125 Y CB -0.174 38.395 38.460 0.183 0.000 1.179 125 Y HN -0.165 nan 8.280 nan 0.000 0.524 126 Y N 0.504 120.514 120.300 -0.484 0.000 2.480 126 Y HA 0.507 5.058 4.550 0.001 0.000 0.329 126 Y C -2.444 173.328 175.900 -0.214 0.000 1.127 126 Y CA -2.316 55.600 58.100 -0.307 0.000 1.037 126 Y CB 1.249 39.508 38.460 -0.335 0.000 1.320 126 Y HN 0.045 nan 8.280 nan 0.000 0.446 127 Y N 6.033 125.806 120.300 -0.878 0.000 2.421 127 Y HA 0.619 5.170 4.550 0.001 0.000 0.339 127 Y C -1.548 173.889 175.900 -0.772 0.000 0.996 127 Y CA -0.853 56.855 58.100 -0.654 0.000 1.046 127 Y CB 1.541 39.811 38.460 -0.317 0.000 1.226 127 Y HN 0.702 nan 8.280 nan 0.000 0.445 128 K N 5.204 124.935 120.400 -1.116 0.000 2.464 128 K HA 0.822 5.143 4.320 0.001 0.000 0.253 128 K C -2.396 173.870 176.600 -0.557 0.000 0.933 128 K CA -0.861 55.026 56.287 -0.665 0.000 0.801 128 K CB 2.331 34.605 32.500 -0.377 0.000 1.271 128 K HN 0.555 nan 8.250 nan 0.000 0.430 129 V N 3.989 123.799 119.914 -0.173 0.000 3.048 129 V HA 0.394 4.515 4.120 0.001 0.000 0.303 129 V C -2.106 174.103 176.094 0.192 0.000 1.214 129 V CA -0.730 61.590 62.300 0.034 0.000 0.984 129 V CB 1.847 33.748 31.823 0.130 0.000 1.054 129 V HN 0.807 nan 8.190 nan 0.000 0.430 130 Y N 6.034 126.407 120.300 0.121 0.000 2.341 130 Y HA 0.645 5.196 4.550 0.001 0.000 0.340 130 Y C -0.358 175.656 175.900 0.190 0.000 0.997 130 Y CA -0.645 57.535 58.100 0.134 0.000 1.149 130 Y CB 1.198 39.722 38.460 0.107 0.000 1.171 130 Y HN 0.598 nan 8.280 nan 0.000 0.494 131 L N 7.668 128.696 121.223 -0.325 0.000 2.295 131 L HA 0.350 4.691 4.340 0.001 0.000 0.288 131 L C 1.156 177.735 176.870 -0.485 0.000 1.079 131 L CA -0.151 54.570 54.840 -0.198 0.000 0.830 131 L CB 0.893 42.957 42.059 0.008 0.000 1.200 131 L HN 0.916 nan 8.230 nan 0.000 0.438 132 A N 2.514 125.185 122.820 -0.248 0.000 2.014 132 A HA -0.082 4.238 4.320 0.001 0.000 0.218 132 A C 1.900 179.409 177.584 -0.125 0.000 1.163 132 A CA 1.023 52.955 52.037 -0.175 0.000 0.652 132 A CB -0.122 18.957 19.000 0.131 0.000 0.808 132 A HN 0.812 nan 8.150 nan 0.000 0.449 133 E N -1.252 118.845 120.200 -0.172 0.000 2.435 133 E HA -0.049 4.301 4.350 0.001 0.000 0.195 133 E C 0.847 177.268 176.600 -0.299 0.000 1.029 133 E CA 0.455 56.713 56.400 -0.237 0.000 0.865 133 E CB 0.027 29.566 29.700 -0.269 0.000 0.833 133 E HN 0.703 nan 8.360 nan 0.000 0.510 134 H N -0.494 118.547 119.070 -0.048 0.000 2.874 134 H HA 0.047 4.604 4.556 0.001 0.000 0.264 134 H C 0.076 175.382 175.328 -0.037 0.000 1.007 134 H CA 0.354 56.388 56.048 -0.022 0.000 1.207 134 H CB 0.614 30.360 29.762 -0.027 0.000 1.487 134 H HN 0.058 nan 8.280 nan 0.000 0.505 135 D N 0.833 121.201 120.400 -0.054 0.000 2.699 135 D HA -0.175 4.465 4.640 0.001 0.000 0.239 135 D C -0.695 175.620 176.300 0.025 0.000 1.136 135 D CA 0.302 54.299 54.000 -0.006 0.000 0.668 135 D CB -1.642 39.256 40.800 0.163 0.000 1.060 135 D HN 0.402 nan 8.370 nan 0.000 0.429 136 I N -0.204 120.281 120.570 -0.141 0.000 2.509 136 I HA 0.390 4.561 4.170 0.001 0.000 0.293 136 I C 0.249 176.347 176.117 -0.032 0.000 1.020 136 I CA -1.270 59.979 61.300 -0.085 0.000 1.088 136 I CB 2.177 40.060 38.000 -0.195 0.000 1.267 136 I HN -0.219 nan 8.210 nan 0.000 0.430 137 V N 4.518 124.482 119.914 0.084 0.000 2.394 137 V HA 0.376 4.496 4.120 0.001 0.000 0.282 137 V C 0.062 176.206 176.094 0.082 0.000 1.031 137 V CA -0.256 62.131 62.300 0.144 0.000 0.881 137 V CB 1.625 33.556 31.823 0.180 0.000 0.982 137 V HN 0.730 nan 8.190 nan 0.000 0.451 138 T N 5.473 120.066 114.554 0.066 0.000 2.797 138 T HA 0.572 4.922 4.350 0.001 0.000 0.279 138 T C -0.552 174.047 174.700 -0.167 0.000 0.991 138 T CA -0.573 61.513 62.100 -0.023 0.000 0.979 138 T CB 1.061 69.825 68.868 -0.175 0.000 0.943 138 T HN 0.778 nan 8.240 nan 0.000 0.444 139 E N 2.968 123.011 120.200 -0.263 0.000 2.293 139 E HA 0.661 5.011 4.350 0.001 0.000 0.270 139 E C -0.671 175.619 176.600 -0.516 0.000 0.879 139 E CA -0.961 55.217 56.400 -0.369 0.000 0.756 139 E CB 2.442 32.007 29.700 -0.225 0.000 1.208 139 E HN 0.629 nan 8.360 nan 0.000 0.428 140 M N -0.357 118.877 119.600 -0.610 0.000 2.386 140 M HA 0.598 5.079 4.480 0.001 0.000 0.293 140 M C -1.192 174.817 176.300 -0.484 0.000 1.120 140 M CA -0.755 54.053 55.300 -0.820 0.000 0.909 140 M CB 2.209 33.994 32.600 -1.359 0.000 1.661 140 M HN 0.415 nan 8.290 nan 0.000 0.452 141 T N 0.670 114.998 114.554 -0.377 0.000 2.881 141 T HA 0.784 5.135 4.350 0.001 0.000 0.291 141 T C -3.091 171.511 174.700 -0.164 0.000 0.990 141 T CA -1.375 60.643 62.100 -0.136 0.000 0.976 141 T CB 1.778 70.656 68.868 0.016 0.000 0.970 141 T HN 0.613 nan 8.240 nan 0.000 0.438 142 P HA 0.518 nan 4.420 nan 0.000 0.285 142 P C -0.181 177.172 177.300 0.088 0.000 1.280 142 P CA -0.380 62.712 63.100 -0.013 0.000 0.862 142 P CB 1.949 33.711 31.700 0.104 0.000 1.153 143 T N -3.206 111.412 114.554 0.107 0.000 2.819 143 T HA 0.320 4.671 4.350 0.001 0.000 0.271 143 T C 1.217 176.015 174.700 0.165 0.000 0.986 143 T CA -0.397 61.776 62.100 0.120 0.000 0.989 143 T CB 0.317 69.241 68.868 0.093 0.000 1.396 143 T HN 0.315 nan 8.240 nan 0.000 0.597 144 E N 0.174 120.458 120.200 0.140 0.000 2.077 144 E HA -0.081 4.270 4.350 0.001 0.000 0.193 144 E C 2.023 178.728 176.600 0.175 0.000 0.989 144 E CA 1.073 57.563 56.400 0.150 0.000 0.800 144 E CB -0.007 29.752 29.700 0.098 0.000 0.746 144 E HN 0.458 nan 8.360 nan 0.000 0.452 145 R N -1.246 119.351 120.500 0.163 0.000 2.487 145 R HA 0.317 4.658 4.340 0.001 0.000 0.272 145 R C -0.090 176.355 176.300 0.242 0.000 0.928 145 R CA 0.024 56.234 56.100 0.183 0.000 1.077 145 R CB 1.510 31.883 30.300 0.122 0.000 1.265 145 R HN -0.040 nan 8.270 nan 0.000 0.537 146 A N 0.237 123.188 122.820 0.219 0.000 2.437 146 A HA 0.826 5.147 4.320 0.001 0.000 0.292 146 A C -1.339 176.318 177.584 0.121 0.000 1.173 146 A CA -0.639 51.521 52.037 0.204 0.000 0.785 146 A CB 2.015 21.094 19.000 0.131 0.000 1.351 146 A HN -0.054 nan 8.150 nan 0.000 0.431 147 V N -0.363 119.536 119.914 -0.024 0.000 3.120 147 V HA 0.668 4.789 4.120 0.001 0.000 0.303 147 V C -2.100 173.831 176.094 -0.271 0.000 1.238 147 V CA -0.559 61.564 62.300 -0.295 0.000 1.008 147 V CB 2.042 33.319 31.823 -0.911 0.000 1.064 147 V HN 1.183 nan 8.190 nan 0.000 0.434 148 L N 4.803 125.822 121.223 -0.340 0.000 2.333 148 L HA 0.736 5.076 4.340 0.001 0.000 0.280 148 L C -1.312 175.276 176.870 -0.470 0.000 1.004 148 L CA 0.119 54.801 54.840 -0.263 0.000 0.820 148 L CB 1.411 43.373 42.059 -0.162 0.000 1.247 148 L HN 0.572 nan 8.230 nan 0.000 0.416 149 F N 4.064 123.757 119.950 -0.428 0.000 2.422 149 F HA 0.624 5.152 4.527 0.001 0.000 0.333 149 F C 0.278 175.697 175.800 -0.636 0.000 1.095 149 F CA -0.359 57.259 58.000 -0.637 0.000 1.038 149 F CB 1.477 39.960 39.000 -0.863 0.000 1.156 149 F HN 0.397 nan 8.300 nan 0.000 0.483 150 R N 3.642 123.856 120.500 -0.477 0.000 2.451 150 R HA 0.493 4.833 4.340 0.001 0.000 0.307 150 R C -1.977 174.089 176.300 -0.391 0.000 0.965 150 R CA -0.471 55.427 56.100 -0.337 0.000 0.865 150 R CB 0.707 30.925 30.300 -0.136 0.000 1.174 150 R HN 0.567 nan 8.270 nan 0.000 0.455 151 F N 2.390 122.387 119.950 0.079 0.000 2.404 151 F HA 0.306 4.834 4.527 0.001 0.000 0.354 151 F C 0.398 176.180 175.800 -0.031 0.000 1.122 151 F CA -0.806 57.161 58.000 -0.055 0.000 1.080 151 F CB 2.277 41.212 39.000 -0.107 0.000 1.131 151 F HN 0.283 nan 8.300 nan 0.000 0.471 152 T N 4.750 119.356 114.554 0.088 0.000 2.762 152 T HA 0.356 4.706 4.350 0.001 0.000 0.303 152 T C -0.417 174.319 174.700 0.060 0.000 0.977 152 T CA -0.263 61.905 62.100 0.114 0.000 0.961 152 T CB -0.137 68.796 68.868 0.108 0.000 0.944 152 T HN 0.184 nan 8.240 nan 0.000 0.481 153 F N 5.351 125.394 119.950 0.155 0.000 2.378 153 F HA 0.456 4.983 4.527 0.001 0.000 0.325 153 F C -1.557 174.308 175.800 0.109 0.000 1.097 153 F CA -2.125 55.955 58.000 0.133 0.000 1.079 153 F CB 1.127 40.202 39.000 0.126 0.000 1.240 153 F HN 0.334 nan 8.300 nan 0.000 0.519 154 P HA 0.084 nan 4.420 nan 0.000 0.282 154 P C -1.310 176.094 177.300 0.174 0.000 1.287 154 P CA -0.595 62.630 63.100 0.208 0.000 0.792 154 P CB 0.590 32.403 31.700 0.187 0.000 1.163 155 E N 1.117 121.384 120.200 0.112 0.000 2.265 155 E HA 0.117 4.468 4.350 0.001 0.000 0.272 155 E C -0.568 176.064 176.600 0.053 0.000 1.067 155 E CA -0.134 56.306 56.400 0.067 0.000 0.900 155 E CB -0.210 29.517 29.700 0.046 0.000 1.017 155 E HN 0.253 nan 8.360 nan 0.000 0.431 156 N N 3.610 122.319 118.700 0.015 0.000 2.504 156 N HA 0.065 4.805 4.740 0.001 0.000 0.268 156 N C -0.916 174.515 175.510 -0.131 0.000 1.184 156 N CA -0.507 52.530 53.050 -0.021 0.000 0.875 156 N CB 1.847 40.356 38.487 0.035 0.000 1.630 156 N HN 0.436 nan 8.380 nan 0.000 0.486 157 D N -0.203 120.053 120.400 -0.240 0.000 2.347 157 D HA 0.032 4.673 4.640 0.001 0.000 0.213 157 D C -0.366 175.500 176.300 -0.723 0.000 0.985 157 D CA 1.166 54.883 54.000 -0.472 0.000 0.879 157 D CB 0.159 40.600 40.800 -0.598 0.000 0.919 157 D HN 0.373 nan 8.370 nan 0.000 0.526 158 H N -0.196 118.754 119.070 -0.200 0.000 2.569 158 H HA 0.366 4.922 4.556 0.001 0.000 0.247 158 H C -0.513 174.479 175.328 -0.561 0.000 1.346 158 H CA -0.290 55.495 56.048 -0.439 0.000 1.502 158 H CB 0.385 30.048 29.762 -0.166 0.000 1.512 158 H HN -0.214 nan 8.280 nan 0.000 0.502 159 S N 2.204 117.530 115.700 -0.623 0.000 2.475 159 S HA 0.599 5.070 4.470 0.001 0.000 0.298 159 S C -0.580 173.453 174.600 -0.946 0.000 1.119 159 S CA -0.529 57.352 58.200 -0.531 0.000 1.085 159 S CB 1.164 63.989 63.200 -0.625 0.000 1.028 159 S HN 0.351 nan 8.310 nan 0.000 0.489 160 Y N -0.065 120.057 120.300 -0.296 0.000 2.634 160 Y HA 0.692 5.243 4.550 0.001 0.000 0.340 160 Y C -0.396 175.351 175.900 -0.255 0.000 1.058 160 Y CA -1.147 56.700 58.100 -0.421 0.000 1.081 160 Y CB 1.324 39.577 38.460 -0.346 0.000 1.295 160 Y HN 0.323 nan 8.280 nan 0.000 0.487 161 V N 2.064 121.901 119.914 -0.128 0.000 2.577 161 V HA 0.446 4.567 4.120 0.001 0.000 0.303 161 V C -0.943 175.127 176.094 -0.039 0.000 1.042 161 V CA -0.903 61.343 62.300 -0.090 0.000 0.872 161 V CB 1.730 33.539 31.823 -0.023 0.000 0.998 161 V HN 0.520 nan 8.190 nan 0.000 0.423 162 V N 5.474 125.379 119.914 -0.015 0.000 2.439 162 V HA 0.495 4.616 4.120 0.001 0.000 0.282 162 V C -0.131 176.039 176.094 0.127 0.000 1.039 162 V CA -0.492 61.839 62.300 0.052 0.000 0.913 162 V CB 1.837 33.657 31.823 -0.005 0.000 0.983 162 V HN 0.601 nan 8.190 nan 0.000 0.460 163 V N 3.764 123.806 119.914 0.213 0.000 2.448 163 V HA 0.446 4.566 4.120 0.001 0.000 0.295 163 V C -0.592 175.734 176.094 0.387 0.000 1.025 163 V CA -0.481 61.982 62.300 0.271 0.000 0.859 163 V CB 1.869 33.860 31.823 0.280 0.000 0.988 163 V HN 0.890 nan 8.190 nan 0.000 0.431 164 D N 3.745 124.384 120.400 0.398 0.000 2.440 164 D HA 0.545 5.186 4.640 0.001 0.000 0.239 164 D C 0.514 177.179 176.300 0.609 0.000 1.084 164 D CA -0.341 53.994 54.000 0.558 0.000 0.843 164 D CB 2.191 43.217 40.800 0.376 0.000 1.097 164 D HN 0.559 nan 8.370 nan 0.000 0.531 165 A N 3.800 126.978 122.820 0.596 0.000 2.251 165 A HA 0.294 4.615 4.320 0.001 0.000 0.209 165 A C 0.363 178.287 177.584 0.567 0.000 1.187 165 A CA 0.023 52.369 52.037 0.515 0.000 0.823 165 A CB -0.485 18.764 19.000 0.415 0.000 0.846 165 A HN 0.560 nan 8.150 nan 0.000 0.486 166 F N -0.850 119.218 119.950 0.196 0.000 2.183 166 F HA -0.171 4.357 4.527 0.001 0.000 0.318 166 F C 0.417 175.962 175.800 -0.425 0.000 0.517 166 F CA 0.457 58.361 58.000 -0.161 0.000 0.912 166 F CB -1.001 37.995 39.000 -0.006 0.000 4.135 166 F HN 0.552 nan 8.300 nan 0.000 0.137 167 D N -0.036 120.170 120.400 -0.322 0.000 2.589 167 D HA 0.493 5.133 4.640 0.001 0.000 0.268 167 D C -0.025 176.305 176.300 0.050 0.000 1.182 167 D CA 0.071 53.952 54.000 -0.199 0.000 1.087 167 D CB 0.586 41.253 40.800 -0.221 0.000 1.186 167 D HN 0.487 nan 8.370 nan 0.000 0.620 168 K N -1.479 118.965 120.400 0.073 0.000 3.379 168 K HA -0.003 4.317 4.320 0.001 0.000 0.300 168 K C 0.294 176.976 176.600 0.136 0.000 1.302 168 K CA 0.947 57.297 56.287 0.106 0.000 0.877 168 K CB -2.263 30.308 32.500 0.119 0.000 1.343 168 K HN 1.470 nan 8.250 nan 0.000 0.488 169 G N 0.270 109.155 108.800 0.141 0.000 3.251 169 G HA2 0.004 3.965 3.960 0.001 0.000 0.680 169 G HA3 0.004 3.965 3.960 0.001 0.000 0.680 169 G C -0.197 174.827 174.900 0.207 0.000 1.129 169 G CA 0.106 45.306 45.100 0.165 0.000 0.994 169 G HN 0.886 nan 8.290 nan 0.000 0.450 170 S N 1.108 116.898 115.700 0.149 0.000 2.794 170 S HA 0.910 5.381 4.470 0.001 0.000 0.299 170 S C -0.940 173.563 174.600 -0.163 0.000 1.179 170 S CA -0.807 57.425 58.200 0.053 0.000 0.838 170 S CB 2.717 66.004 63.200 0.145 0.000 1.206 170 S HN 2.097 nan 8.310 nan 0.000 0.523 171 Y N -0.291 119.646 120.300 -0.606 0.000 2.482 171 Y HA 0.795 5.345 4.550 0.001 0.000 0.334 171 Y C -2.065 173.616 175.900 -0.365 0.000 1.091 171 Y CA -0.973 56.760 58.100 -0.612 0.000 1.027 171 Y CB 1.267 39.013 38.460 -1.189 0.000 1.306 171 Y HN 0.946 nan 8.280 nan 0.000 0.446 172 I N 5.239 125.211 120.570 -0.996 0.000 2.802 172 I HA 0.613 4.783 4.170 0.001 0.000 0.298 172 I C -1.830 173.773 176.117 -0.856 0.000 1.176 172 I CA -0.587 60.275 61.300 -0.730 0.000 1.025 172 I CB 2.161 39.992 38.000 -0.281 0.000 1.243 172 I HN 0.676 nan 8.210 nan 0.000 0.424 173 K N 7.217 127.296 120.400 -0.535 0.000 2.561 173 K HA 0.559 4.879 4.320 0.001 0.000 0.254 173 K C -2.032 174.487 176.600 -0.136 0.000 0.942 173 K CA -0.508 55.584 56.287 -0.325 0.000 0.818 173 K CB 1.403 33.733 32.500 -0.285 0.000 1.306 173 K HN 0.580 nan 8.250 nan 0.000 0.435 174 I N 5.160 125.687 120.570 -0.071 0.000 2.336 174 I HA 0.315 4.486 4.170 0.001 0.000 0.292 174 I C -0.373 175.785 176.117 0.069 0.000 0.991 174 I CA -0.986 60.330 61.300 0.026 0.000 1.227 174 I CB 1.315 39.314 38.000 -0.002 0.000 1.366 174 I HN 0.492 nan 8.210 nan 0.000 0.466 175 I N 9.020 129.673 120.570 0.139 0.000 2.503 175 I HA 0.252 4.423 4.170 0.001 0.000 0.277 175 I C -1.739 174.470 176.117 0.153 0.000 1.078 175 I CA -1.463 59.899 61.300 0.105 0.000 1.184 175 I CB 1.017 39.054 38.000 0.061 0.000 1.353 175 I HN 0.335 nan 8.210 nan 0.000 0.490 176 P HA -0.173 nan 4.420 nan 0.000 0.215 176 P C 0.867 178.140 177.300 -0.045 0.000 1.153 176 P CA 1.297 64.452 63.100 0.092 0.000 0.853 176 P CB 0.157 31.919 31.700 0.104 0.000 0.788 177 E N -0.179 120.014 120.200 -0.010 0.000 2.515 177 E HA -0.122 4.228 4.350 0.001 0.000 0.201 177 E C 0.885 177.466 176.600 -0.031 0.000 1.071 177 E CA 0.808 57.192 56.400 -0.027 0.000 0.880 177 E CB -0.751 28.942 29.700 -0.011 0.000 0.828 177 E HN 0.491 nan 8.360 nan 0.000 0.540 178 E N 0.073 120.260 120.200 -0.023 0.000 2.759 178 E HA 0.144 4.495 4.350 0.001 0.000 0.220 178 E C -0.498 176.097 176.600 -0.008 0.000 0.974 178 E CA -0.379 56.017 56.400 -0.006 0.000 1.148 178 E CB 0.312 30.026 29.700 0.024 0.000 1.059 178 E HN 0.027 nan 8.360 nan 0.000 0.493 179 N N 2.323 120.943 118.700 -0.133 0.000 2.714 179 N HA -0.211 4.530 4.740 0.001 0.000 0.252 179 N C -0.697 174.981 175.510 0.279 0.000 1.014 179 N CA 1.243 54.126 53.050 -0.279 0.000 0.735 179 N CB -0.860 37.539 38.487 -0.147 0.000 0.924 179 N HN 0.309 nan 8.380 nan 0.000 0.540 180 K N 0.309 120.943 120.400 0.389 0.000 2.422 180 K HA 0.639 4.960 4.320 0.001 0.000 0.251 180 K C -0.882 175.969 176.600 0.419 0.000 0.933 180 K CA -0.652 55.869 56.287 0.390 0.000 0.798 180 K CB 1.465 34.075 32.500 0.184 0.000 1.238 180 K HN 0.078 nan 8.250 nan 0.000 0.428 181 I N 5.977 126.768 120.570 0.368 0.000 2.465 181 I HA 0.406 4.576 4.170 0.001 0.000 0.291 181 I C -0.179 176.040 176.117 0.171 0.000 1.014 181 I CA -1.039 60.413 61.300 0.253 0.000 1.093 181 I CB 1.701 39.892 38.000 0.318 0.000 1.267 181 I HN 0.620 nan 8.210 nan 0.000 0.431 182 I N 2.369 122.944 120.570 0.009 0.000 2.957 182 I HA 1.071 5.242 4.170 0.001 0.000 0.310 182 I C -0.184 175.741 176.117 -0.321 0.000 1.063 182 I CA -0.452 60.775 61.300 -0.121 0.000 1.033 182 I CB 2.428 40.255 38.000 -0.287 0.000 1.230 182 I HN 0.624 nan 8.210 nan 0.000 0.447 183 G N 1.992 110.401 108.800 -0.652 0.000 2.441 183 G HA2 0.511 4.471 3.960 0.001 0.000 0.294 183 G HA3 0.511 4.471 3.960 0.001 0.000 0.294 183 G C -2.198 172.165 174.900 -0.895 0.000 1.393 183 G CA -0.571 44.073 45.100 -0.761 0.000 0.796 183 G HN 1.073 nan 8.290 nan 0.000 0.494 184 Y N -1.491 118.610 120.300 -0.331 0.000 2.524 184 Y HA 0.866 5.416 4.550 0.001 0.000 0.347 184 Y C -0.326 175.569 175.900 -0.007 0.000 1.005 184 Y CA -1.285 56.620 58.100 -0.325 0.000 1.025 184 Y CB 1.861 40.044 38.460 -0.462 0.000 1.275 184 Y HN 0.736 nan 8.280 nan 0.000 0.460 185 T N 0.550 115.270 114.554 0.278 0.000 2.885 185 T HA 0.517 4.868 4.350 0.001 0.000 0.285 185 T C 0.385 175.205 174.700 0.201 0.000 1.019 185 T CA 0.183 62.454 62.100 0.285 0.000 1.010 185 T CB 1.292 70.330 68.868 0.284 0.000 1.022 185 T HN 1.160 nan 8.240 nan 0.000 0.466 186 T N 0.961 115.675 114.554 0.267 0.000 3.009 186 T HA 0.283 4.634 4.350 0.001 0.000 0.267 186 T C 0.740 175.691 174.700 0.418 0.000 0.942 186 T CA -0.381 61.909 62.100 0.317 0.000 0.883 186 T CB -0.123 68.897 68.868 0.255 0.000 1.192 186 T HN 0.633 nan 8.240 nan 0.000 0.524 187 R N 3.197 123.888 120.500 0.318 0.000 2.486 187 R HA 0.108 4.449 4.340 0.001 0.000 0.303 187 R C -0.302 176.164 176.300 0.277 0.000 0.958 187 R CA 0.696 56.958 56.100 0.270 0.000 1.077 187 R CB 0.069 30.534 30.300 0.274 0.000 0.921 187 R HN 0.724 nan 8.270 nan 0.000 0.406 188 N N 1.444 120.258 118.700 0.190 0.000 2.902 188 N HA 0.135 4.875 4.740 0.001 0.000 0.268 188 N C -1.083 174.459 175.510 0.053 0.000 1.450 188 N CA -0.897 52.222 53.050 0.115 0.000 0.819 188 N CB 1.681 40.128 38.487 -0.068 0.000 1.540 188 N HN 0.352 nan 8.380 nan 0.000 0.545 189 S N -1.246 114.460 115.700 0.010 0.000 2.664 189 S HA 0.528 4.999 4.470 0.001 0.000 0.245 189 S C 0.519 175.082 174.600 -0.061 0.000 1.019 189 S CA 0.086 58.283 58.200 -0.006 0.000 0.996 189 S CB -0.265 62.941 63.200 0.010 0.000 0.878 189 S HN 1.127 nan 8.310 nan 0.000 0.493 190 G N 0.386 109.122 108.800 -0.107 0.000 2.525 190 G HA2 0.375 4.336 3.960 0.001 0.000 0.685 190 G HA3 0.375 4.336 3.960 0.001 0.000 0.685 190 G C 0.301 175.067 174.900 -0.223 0.000 1.290 190 G CA -0.380 44.642 45.100 -0.131 0.000 0.915 190 G HN 1.159 nan 8.290 nan 0.000 0.548 191 G N -2.223 106.457 108.800 -0.200 0.000 2.273 191 G HA2 0.304 4.265 3.960 0.001 0.000 0.280 191 G HA3 0.304 4.265 3.960 0.001 0.000 0.280 191 G C 0.749 175.417 174.900 -0.387 0.000 1.047 191 G CA 1.459 46.401 45.100 -0.263 0.000 0.869 191 G HN 2.449 nan 8.290 nan 0.000 0.502 192 V N -3.611 116.115 119.914 -0.312 0.000 2.925 192 V HA 0.928 5.049 4.120 0.001 0.000 0.311 192 V C -2.081 173.957 176.094 -0.094 0.000 1.104 192 V CA -2.657 59.457 62.300 -0.310 0.000 0.954 192 V CB 1.993 33.511 31.823 -0.508 0.000 1.022 192 V HN 0.097 nan 8.190 nan 0.000 0.427 193 P HA 0.318 nan 4.420 nan 0.000 0.272 193 P C 0.746 178.135 177.300 0.149 0.000 1.230 193 P CA -0.263 62.888 63.100 0.086 0.000 0.788 193 P CB 0.675 32.442 31.700 0.112 0.000 0.949 194 E N 1.444 121.712 120.200 0.113 0.000 2.130 194 E HA -0.195 4.156 4.350 0.001 0.000 0.196 194 E C 1.019 177.698 176.600 0.131 0.000 0.998 194 E CA 1.269 57.734 56.400 0.109 0.000 0.806 194 E CB -0.349 29.397 29.700 0.077 0.000 0.738 194 E HN 0.498 nan 8.360 nan 0.000 0.459 195 N N 0.211 119.003 118.700 0.154 0.000 2.362 195 N HA -0.104 4.637 4.740 0.001 0.000 0.204 195 N C 0.166 175.729 175.510 0.088 0.000 1.166 195 N CA -0.260 52.854 53.050 0.107 0.000 0.831 195 N CB -0.960 37.594 38.487 0.111 0.000 1.008 195 N HN -0.045 nan 8.380 nan 0.000 0.472 196 F N 2.111 122.089 119.950 0.047 0.000 2.578 196 F HA 0.217 4.745 4.527 0.001 0.000 0.381 196 F C 0.071 175.764 175.800 -0.178 0.000 1.069 196 F CA 0.163 58.159 58.000 -0.006 0.000 1.231 196 F CB 0.414 39.468 39.000 0.089 0.000 1.086 196 F HN -0.069 nan 8.300 nan 0.000 0.564 197 K N 5.005 124.636 120.400 -1.281 0.000 2.527 197 K HA 0.194 4.514 4.320 0.001 0.000 0.260 197 K C -1.422 174.385 176.600 -1.321 0.000 0.937 197 K CA -1.034 54.462 56.287 -1.318 0.000 0.826 197 K CB 1.960 33.567 32.500 -1.489 0.000 1.359 197 K HN 0.665 nan 8.250 nan 0.000 0.434 198 N N 2.560 120.694 118.700 -0.942 0.000 2.446 198 N HA 0.250 4.990 4.740 0.001 0.000 0.265 198 N C -1.412 173.756 175.510 -0.571 0.000 0.975 198 N CA -0.368 52.270 53.050 -0.687 0.000 0.928 198 N CB 0.663 38.951 38.487 -0.331 0.000 1.160 198 N HN 0.382 nan 8.380 nan 0.000 0.495 199 Y N 3.794 123.832 120.300 -0.437 0.000 2.327 199 Y HA 0.328 4.879 4.550 0.001 0.000 0.336 199 Y C 0.038 175.814 175.900 -0.207 0.000 1.035 199 Y CA -0.731 57.059 58.100 -0.515 0.000 1.165 199 Y CB 0.501 38.416 38.460 -0.907 0.000 1.181 199 Y HN 0.320 nan 8.280 nan 0.000 0.494 200 F N 1.341 121.316 119.950 0.043 0.000 2.577 200 F HA 0.901 5.429 4.527 0.001 0.000 0.318 200 F C -1.452 174.451 175.800 0.171 0.000 1.065 200 F CA -1.999 56.007 58.000 0.010 0.000 0.929 200 F CB 1.214 39.941 39.000 -0.454 0.000 1.237 200 F HN 0.213 nan 8.300 nan 0.000 0.468 201 I N 3.285 124.099 120.570 0.407 0.000 2.582 201 I HA 0.512 4.682 4.170 0.001 0.000 0.292 201 I C -1.086 175.206 176.117 0.292 0.000 1.066 201 I CA -0.821 60.657 61.300 0.297 0.000 1.053 201 I CB 2.452 40.580 38.000 0.213 0.000 1.241 201 I HN 0.589 nan 8.210 nan 0.000 0.421 202 I N 4.900 125.608 120.570 0.230 0.000 2.468 202 I HA 0.331 4.502 4.170 0.001 0.000 0.285 202 I C -0.765 175.361 176.117 0.015 0.000 1.039 202 I CA -0.468 60.892 61.300 0.099 0.000 1.074 202 I CB 1.979 40.043 38.000 0.107 0.000 1.228 202 I HN 0.526 nan 8.210 nan 0.000 0.436 203 E N 5.782 125.939 120.200 -0.071 0.000 2.145 203 E HA 0.511 4.862 4.350 0.001 0.000 0.270 203 E C -1.370 175.166 176.600 -0.108 0.000 0.906 203 E CA -0.571 55.831 56.400 0.003 0.000 0.761 203 E CB 1.967 31.692 29.700 0.041 0.000 1.116 203 E HN 0.280 nan 8.360 nan 0.000 0.408 204 F N 1.754 121.845 119.950 0.236 0.000 2.425 204 F HA 0.138 4.665 4.527 0.001 0.000 0.331 204 F C 1.215 177.091 175.800 0.127 0.000 1.085 204 F CA -0.820 57.331 58.000 0.251 0.000 1.028 204 F CB 1.044 40.310 39.000 0.444 0.000 1.177 204 F HN 0.437 nan 8.300 nan 0.000 0.487 205 D N 0.891 121.461 120.400 0.282 0.000 2.370 205 D HA 0.035 4.676 4.640 0.001 0.000 0.230 205 D C -0.156 176.192 176.300 0.079 0.000 1.143 205 D CA 0.141 54.221 54.000 0.134 0.000 0.834 205 D CB 0.056 40.908 40.800 0.087 0.000 0.944 205 D HN 0.178 nan 8.370 nan 0.000 0.504 206 K N 0.970 121.434 120.400 0.106 0.000 2.553 206 K HA 0.350 4.671 4.320 0.001 0.000 0.250 206 K C -3.192 173.400 176.600 -0.012 0.000 0.953 206 K CA -1.769 54.488 56.287 -0.050 0.000 0.800 206 K CB 2.580 34.901 32.500 -0.299 0.000 1.243 206 K HN -0.149 nan 8.250 nan 0.000 0.435 207 P HA 0.161 nan 4.420 nan 0.000 0.271 207 P C -0.645 176.712 177.300 0.096 0.000 1.216 207 P CA -0.217 62.800 63.100 -0.138 0.000 0.776 207 P CB 0.153 31.801 31.700 -0.086 0.000 0.881 208 F N 0.557 120.585 119.950 0.130 0.000 2.467 208 F HA 0.158 4.686 4.527 0.001 0.000 0.362 208 F C 1.828 177.673 175.800 0.074 0.000 1.090 208 F CA 0.012 58.069 58.000 0.095 0.000 1.202 208 F CB -0.677 38.324 39.000 0.002 0.000 1.113 208 F HN 0.217 nan 8.300 nan 0.000 0.541 209 T N 1.963 116.681 114.554 0.274 0.000 3.051 209 T HA -0.010 4.341 4.350 0.001 0.000 0.255 209 T C -0.658 174.154 174.700 0.187 0.000 1.085 209 T CA 0.718 62.923 62.100 0.175 0.000 1.109 209 T CB -0.272 68.679 68.868 0.139 0.000 0.921 209 T HN 0.475 nan 8.240 nan 0.000 0.488 210 Y N 2.385 122.705 120.300 0.032 0.000 2.457 210 Y HA 0.537 5.087 4.550 0.001 0.000 0.343 210 Y C -1.434 174.443 175.900 -0.038 0.000 0.994 210 Y CA -1.531 56.578 58.100 0.015 0.000 1.031 210 Y CB 1.159 39.649 38.460 0.050 0.000 1.246 210 Y HN -0.051 nan 8.280 nan 0.000 0.449 211 K N 4.366 124.393 120.400 -0.622 0.000 2.525 211 K HA 0.970 5.291 4.320 0.001 0.000 0.254 211 K C -2.101 174.137 176.600 -0.603 0.000 0.934 211 K CA -1.064 54.949 56.287 -0.457 0.000 0.802 211 K CB 2.215 34.597 32.500 -0.198 0.000 1.295 211 K HN 0.803 nan 8.250 nan 0.000 0.433 212 A N 1.252 123.847 122.820 -0.375 0.000 2.547 212 A HA 0.659 4.980 4.320 0.001 0.000 0.297 212 A C -0.717 176.762 177.584 -0.175 0.000 1.056 212 A CA -0.688 51.187 52.037 -0.270 0.000 0.688 212 A CB 1.598 20.468 19.000 -0.216 0.000 1.282 212 A HN 0.841 nan 8.150 nan 0.000 0.400 213 T N -1.140 113.312 114.554 -0.170 0.000 2.944 213 T HA 0.769 5.120 4.350 0.001 0.000 0.284 213 T C -0.313 174.257 174.700 -0.218 0.000 1.010 213 T CA -0.667 61.328 62.100 -0.176 0.000 1.025 213 T CB 1.363 70.131 68.868 -0.166 0.000 1.079 213 T HN 1.035 nan 8.240 nan 0.000 0.516 214 V N 1.511 121.244 119.914 -0.303 0.000 2.604 214 V HA 0.635 4.756 4.120 0.001 0.000 0.305 214 V C -0.387 175.483 176.094 -0.374 0.000 1.043 214 V CA -0.773 61.268 62.300 -0.432 0.000 0.888 214 V CB 1.609 32.902 31.823 -0.883 0.000 0.995 214 V HN 1.057 nan 8.190 nan 0.000 0.429 215 E N 4.519 124.545 120.200 -0.291 0.000 2.325 215 E HA 0.282 4.633 4.350 0.001 0.000 0.248 215 E C -0.379 176.122 176.600 -0.164 0.000 0.912 215 E CA -0.475 55.809 56.400 -0.192 0.000 0.782 215 E CB 0.749 30.375 29.700 -0.124 0.000 1.264 215 E HN 0.846 nan 8.360 nan 0.000 0.417 216 N N 3.410 122.013 118.700 -0.161 0.000 2.681 216 N HA -0.265 4.476 4.740 0.001 0.000 0.259 216 N C 0.732 176.167 175.510 -0.124 0.000 1.066 216 N CA 0.512 53.505 53.050 -0.095 0.000 0.717 216 N CB -0.927 37.541 38.487 -0.031 0.000 0.885 216 N HN 0.928 nan 8.380 nan 0.000 0.547 217 G N -0.624 108.048 108.800 -0.214 0.000 2.328 217 G HA2 -0.377 3.584 3.960 0.001 0.000 0.256 217 G HA3 -0.377 3.584 3.960 0.001 0.000 0.256 217 G C 0.161 174.975 174.900 -0.142 0.000 1.014 217 G CA 0.567 45.584 45.100 -0.139 0.000 0.620 217 G HN 0.532 nan 8.290 nan 0.000 0.530 218 N N 0.758 119.369 118.700 -0.150 0.000 2.470 218 N HA 0.455 5.196 4.740 0.001 0.000 0.268 218 N C -0.152 175.263 175.510 -0.158 0.000 1.136 218 N CA -0.326 52.649 53.050 -0.124 0.000 0.961 218 N CB 1.280 39.709 38.487 -0.097 0.000 1.067 218 N HN 0.255 nan 8.380 nan 0.000 0.468 219 L N 2.942 124.093 121.223 -0.120 0.000 2.319 219 L HA 0.205 4.546 4.340 0.001 0.000 0.280 219 L C -0.210 176.600 176.870 -0.099 0.000 1.099 219 L CA 0.098 54.869 54.840 -0.115 0.000 0.828 219 L CB 0.212 42.228 42.059 -0.070 0.000 1.150 219 L HN 0.445 nan 8.230 nan 0.000 0.442 220 Q N 4.740 124.469 119.800 -0.117 0.000 2.394 220 Q HA 0.269 4.610 4.340 0.001 0.000 0.261 220 Q C -0.730 175.191 176.000 -0.132 0.000 1.023 220 Q CA -0.455 55.284 55.803 -0.108 0.000 0.720 220 Q CB 1.750 30.425 28.738 -0.105 0.000 1.241 220 Q HN 0.572 nan 8.270 nan 0.000 0.483 221 E N 2.654 122.775 120.200 -0.133 0.000 2.376 221 E HA -0.044 4.307 4.350 0.001 0.000 0.266 221 E C -0.059 176.435 176.600 -0.177 0.000 1.009 221 E CA 0.192 56.465 56.400 -0.212 0.000 0.902 221 E CB 0.330 29.914 29.700 -0.193 0.000 0.972 221 E HN 0.490 nan 8.360 nan 0.000 0.439 222 N N 1.434 120.008 118.700 -0.209 0.000 2.863 222 N HA -0.175 4.566 4.740 0.001 0.000 0.245 222 N C -1.062 174.387 175.510 -0.100 0.000 1.001 222 N CA 0.891 53.858 53.050 -0.140 0.000 0.901 222 N CB -1.253 37.168 38.487 -0.109 0.000 1.124 222 N HN 0.199 nan 8.380 nan 0.000 0.582 223 V N 0.984 120.833 119.914 -0.107 0.000 2.408 223 V HA 0.448 4.568 4.120 0.001 0.000 0.267 223 V C 1.676 177.715 176.094 -0.093 0.000 1.047 223 V CA 0.398 62.646 62.300 -0.087 0.000 0.937 223 V CB 1.245 33.017 31.823 -0.085 0.000 0.999 223 V HN 0.355 nan 8.190 nan 0.000 0.472 224 A N 4.249 127.026 122.820 -0.071 0.000 2.014 224 A HA 0.044 4.364 4.320 0.001 0.000 0.218 224 A C 0.910 178.437 177.584 -0.095 0.000 1.163 224 A CA 0.912 52.908 52.037 -0.068 0.000 0.652 224 A CB 0.025 19.003 19.000 -0.038 0.000 0.808 224 A HN 0.818 nan 8.150 nan 0.000 0.449 225 E N -0.504 119.639 120.200 -0.094 0.000 2.321 225 E HA 0.399 4.750 4.350 0.001 0.000 0.278 225 E C -1.765 174.772 176.600 -0.105 0.000 0.902 225 E CA -0.671 55.658 56.400 -0.118 0.000 0.758 225 E CB 0.935 30.619 29.700 -0.026 0.000 1.213 225 E HN 0.176 nan 8.360 nan 0.000 0.426 226 Q N 2.040 121.739 119.800 -0.167 0.000 2.285 226 Q HA 0.364 4.705 4.340 0.001 0.000 0.269 226 Q C -1.367 174.625 176.000 -0.013 0.000 1.030 226 Q CA -0.648 55.100 55.803 -0.092 0.000 0.788 226 Q CB 2.437 31.098 28.738 -0.129 0.000 1.266 226 Q HN 0.523 nan 8.270 nan 0.000 0.438 227 T N 1.983 116.591 114.554 0.090 0.000 2.842 227 T HA 0.605 4.956 4.350 0.001 0.000 0.308 227 T C -0.343 174.406 174.700 0.081 0.000 1.041 227 T CA -0.204 61.987 62.100 0.152 0.000 0.964 227 T CB 1.074 70.054 68.868 0.186 0.000 0.972 227 T HN 0.589 nan 8.240 nan 0.000 0.460 228 T N 1.147 115.741 114.554 0.068 0.000 2.693 228 T HA 0.254 4.604 4.350 0.001 0.000 0.304 228 T C 0.513 175.267 174.700 0.090 0.000 1.471 228 T CA -0.395 61.742 62.100 0.062 0.000 0.993 228 T CB 1.545 70.430 68.868 0.027 0.000 1.554 228 T HN 0.439 nan 8.240 nan 0.000 0.496 229 D N 0.073 120.531 120.400 0.096 0.000 2.104 229 D HA -0.107 4.534 4.640 0.001 0.000 0.194 229 D C 0.698 177.103 176.300 0.175 0.000 0.994 229 D CA 1.724 55.797 54.000 0.122 0.000 0.830 229 D CB -0.020 40.845 40.800 0.109 0.000 0.959 229 D HN 0.562 nan 8.370 nan 0.000 0.452 230 H N -0.808 118.292 119.070 0.050 0.000 2.854 230 H HA 0.578 5.135 4.556 0.001 0.000 0.275 230 H C -1.234 174.094 175.328 -0.001 0.000 1.198 230 H CA -0.900 55.190 56.048 0.069 0.000 1.489 230 H CB 0.626 30.436 29.762 0.079 0.000 1.519 230 H HN 0.171 nan 8.280 nan 0.000 0.503 231 A N 3.202 126.155 122.820 0.222 0.000 2.322 231 A HA 0.716 5.036 4.320 0.001 0.000 0.269 231 A C 0.312 177.925 177.584 0.048 0.000 1.094 231 A CA 0.244 52.296 52.037 0.025 0.000 0.807 231 A CB 0.899 19.881 19.000 -0.030 0.000 1.047 231 A HN 0.761 nan 8.150 nan 0.000 0.487 232 G N -1.332 107.361 108.800 -0.177 0.000 2.660 232 G HA2 0.773 4.733 3.960 0.001 0.000 0.290 232 G HA3 0.773 4.733 3.960 0.001 0.000 0.290 232 G C -1.063 173.764 174.900 -0.121 0.000 1.432 232 G CA 0.117 45.155 45.100 -0.103 0.000 0.807 232 G HN 1.747 nan 8.290 nan 0.000 0.485 233 A N -0.242 122.604 122.820 0.044 0.000 2.475 233 A HA 0.858 5.179 4.320 0.001 0.000 0.301 233 A C -1.146 176.463 177.584 0.041 0.000 1.059 233 A CA -0.590 51.440 52.037 -0.011 0.000 0.710 233 A CB 1.328 20.323 19.000 -0.007 0.000 1.288 233 A HN 0.772 nan 8.150 nan 0.000 0.408 234 I N 2.315 122.877 120.570 -0.014 0.000 2.466 234 I HA 0.470 4.641 4.170 0.001 0.000 0.289 234 I C -0.988 175.112 176.117 -0.028 0.000 1.026 234 I CA -0.664 60.641 61.300 0.009 0.000 1.078 234 I CB 1.837 39.861 38.000 0.040 0.000 1.249 234 I HN 0.691 nan 8.210 nan 0.000 0.429 235 I N 2.764 123.219 120.570 -0.192 0.000 2.846 235 I HA 1.057 5.227 4.170 0.001 0.000 0.307 235 I C -0.008 175.882 176.117 -0.379 0.000 1.053 235 I CA -0.314 60.763 61.300 -0.372 0.000 1.050 235 I CB 2.044 39.358 38.000 -1.145 0.000 1.239 235 I HN 0.551 nan 8.210 nan 0.000 0.439 236 G N 2.298 110.857 108.800 -0.402 0.000 2.687 236 G HA2 0.881 4.841 3.960 0.001 0.000 0.291 236 G HA3 0.881 4.841 3.960 0.001 0.000 0.291 236 G C -1.481 172.882 174.900 -0.894 0.000 1.420 236 G CA -0.843 43.701 45.100 -0.927 0.000 0.796 236 G HN 0.987 nan 8.290 nan 0.000 0.485 237 F N -2.491 117.255 119.950 -0.340 0.000 2.878 237 F HA 0.571 5.099 4.527 0.001 0.000 0.322 237 F C -0.676 174.922 175.800 -0.336 0.000 1.154 237 F CA -1.586 56.267 58.000 -0.244 0.000 0.896 237 F CB 1.222 40.115 39.000 -0.177 0.000 1.313 237 F HN 0.353 nan 8.300 nan 0.000 0.451 238 K N 1.202 121.623 120.400 0.036 0.000 2.249 238 K HA 0.588 4.909 4.320 0.001 0.000 0.280 238 K C -0.620 175.931 176.600 -0.082 0.000 1.033 238 K CA -0.417 55.821 56.287 -0.083 0.000 0.946 238 K CB 1.678 34.121 32.500 -0.095 0.000 1.005 238 K HN 0.768 nan 8.250 nan 0.000 0.469 239 T N 0.076 114.569 114.554 -0.101 0.000 2.876 239 T HA 0.438 4.789 4.350 0.001 0.000 0.289 239 T C -0.084 174.599 174.700 -0.028 0.000 1.014 239 T CA -1.128 60.916 62.100 -0.092 0.000 0.986 239 T CB 1.594 70.401 68.868 -0.102 0.000 1.021 239 T HN 0.410 nan 8.240 nan 0.000 0.458 240 R N 0.930 121.422 120.500 -0.013 0.000 2.560 240 R HA 0.359 4.699 4.340 0.001 0.000 0.270 240 R C 0.359 176.690 176.300 0.052 0.000 1.074 240 R CA -0.929 55.178 56.100 0.011 0.000 1.140 240 R CB 0.762 31.063 30.300 0.002 0.000 1.073 240 R HN 0.721 nan 8.270 nan 0.000 0.527 241 K N 0.832 121.265 120.400 0.054 0.000 2.491 241 K HA -0.083 4.237 4.320 0.001 0.000 0.279 241 K C 0.580 177.230 176.600 0.083 0.000 1.026 241 K CA 1.238 57.571 56.287 0.077 0.000 1.070 241 K CB 0.033 32.569 32.500 0.060 0.000 0.887 241 K HN 0.777 nan 8.250 nan 0.000 0.481 242 G N 2.664 111.532 108.800 0.114 0.000 2.179 242 G HA2 -0.340 3.620 3.960 0.001 0.000 0.260 242 G HA3 -0.340 3.620 3.960 0.001 0.000 0.260 242 G C -0.019 174.949 174.900 0.114 0.000 0.977 242 G CA 0.440 45.605 45.100 0.108 0.000 0.641 242 G HN 0.774 nan 8.290 nan 0.000 0.533 243 E N 0.737 121.011 120.200 0.124 0.000 2.415 243 E HA 0.311 4.662 4.350 0.001 0.000 0.263 243 E C 0.415 177.122 176.600 0.179 0.000 0.995 243 E CA 0.191 56.656 56.400 0.107 0.000 0.915 243 E CB 0.181 29.912 29.700 0.053 0.000 0.951 243 E HN 0.541 nan 8.360 nan 0.000 0.449 244 Q N 2.367 122.245 119.800 0.131 0.000 2.293 244 Q HA 0.423 4.764 4.340 0.001 0.000 0.261 244 Q C -1.182 174.919 176.000 0.168 0.000 0.960 244 Q CA -0.830 55.073 55.803 0.167 0.000 0.882 244 Q CB 2.307 31.105 28.738 0.100 0.000 1.275 244 Q HN 0.310 nan 8.270 nan 0.000 0.445 245 V N 3.184 123.275 119.914 0.296 0.000 2.448 245 V HA 0.342 4.463 4.120 0.001 0.000 0.295 245 V C -0.360 175.912 176.094 0.298 0.000 1.025 245 V CA -0.906 61.579 62.300 0.308 0.000 0.859 245 V CB 1.685 33.801 31.823 0.488 0.000 0.988 245 V HN 0.759 nan 8.190 nan 0.000 0.431 246 N N 2.803 121.625 118.700 0.202 0.000 2.443 246 N HA 0.739 5.480 4.740 0.001 0.000 0.295 246 N C -0.538 175.047 175.510 0.126 0.000 1.076 246 N CA -0.317 52.789 53.050 0.093 0.000 0.919 246 N CB 2.507 41.013 38.487 0.033 0.000 1.176 246 N HN 0.783 nan 8.380 nan 0.000 0.487 247 A N 2.239 125.057 122.820 -0.004 0.000 2.335 247 A HA 0.466 4.786 4.320 0.001 0.000 0.304 247 A C -0.285 177.243 177.584 -0.094 0.000 1.118 247 A CA -0.709 51.237 52.037 -0.151 0.000 0.757 247 A CB 0.874 19.726 19.000 -0.246 0.000 1.188 247 A HN 0.599 nan 8.150 nan 0.000 0.460 248 R N 1.750 122.195 120.500 -0.092 0.000 2.254 248 R HA 0.630 4.971 4.340 0.001 0.000 0.318 248 R C -0.851 175.456 176.300 0.011 0.000 1.031 248 R CA 0.127 56.210 56.100 -0.028 0.000 0.905 248 R CB 0.927 31.225 30.300 -0.002 0.000 1.050 248 R HN 0.680 nan 8.270 nan 0.000 0.456 249 I N 1.580 122.186 120.570 0.061 0.000 2.608 249 I HA 0.700 4.871 4.170 0.001 0.000 0.295 249 I C -0.489 175.776 176.117 0.247 0.000 1.049 249 I CA -0.898 60.511 61.300 0.182 0.000 1.063 249 I CB 2.251 40.392 38.000 0.234 0.000 1.248 249 I HN 0.664 nan 8.210 nan 0.000 0.424 250 A N 3.378 126.397 122.820 0.331 0.000 2.612 250 A HA 0.884 5.204 4.320 0.001 0.000 0.293 250 A C -0.959 176.835 177.584 0.351 0.000 1.075 250 A CA -0.448 51.781 52.037 0.319 0.000 0.680 250 A CB 2.054 21.178 19.000 0.206 0.000 1.279 250 A HN 0.758 nan 8.150 nan 0.000 0.411 251 S N -0.305 115.558 115.700 0.271 0.000 2.651 251 S HA 0.916 5.387 4.470 0.001 0.000 0.279 251 S C -0.569 174.031 174.600 0.001 0.000 1.148 251 S CA -0.081 58.219 58.200 0.167 0.000 0.837 251 S CB 1.631 64.949 63.200 0.197 0.000 1.138 251 S HN 1.982 nan 8.310 nan 0.000 0.478 252 S N -0.799 114.832 115.700 -0.115 0.000 2.588 252 S HA 0.684 5.155 4.470 0.001 0.000 0.275 252 S C -1.117 173.290 174.600 -0.321 0.000 1.130 252 S CA -0.714 57.392 58.200 -0.157 0.000 0.855 252 S CB 0.879 64.051 63.200 -0.047 0.000 1.116 252 S HN 0.630 nan 8.310 nan 0.000 0.472 253 F N 1.841 121.734 119.950 -0.095 0.000 2.693 253 F HA 0.434 4.961 4.527 0.001 0.000 0.303 253 F C 1.215 176.906 175.800 -0.181 0.000 1.097 253 F CA 0.072 57.936 58.000 -0.227 0.000 1.330 253 F CB 0.131 38.973 39.000 -0.263 0.000 1.067 253 F HN 0.407 nan 8.300 nan 0.000 0.565 254 I N -1.667 118.945 120.570 0.071 0.000 3.132 254 I HA 0.095 4.266 4.170 0.001 0.000 0.255 254 I C 0.621 176.531 176.117 -0.345 0.000 1.118 254 I CA 0.336 61.626 61.300 -0.016 0.000 1.463 254 I CB 0.268 38.271 38.000 0.007 0.000 1.356 254 I HN 0.018 nan 8.210 nan 0.000 0.463 255 S N -1.573 113.762 115.700 -0.608 0.000 2.595 255 S HA 0.309 4.780 4.470 0.001 0.000 0.270 255 S C -0.061 174.082 174.600 -0.761 0.000 1.145 255 S CA -0.693 56.862 58.200 -1.075 0.000 0.825 255 S CB 0.557 63.457 63.200 -0.501 0.000 1.107 255 S HN 0.032 nan 8.310 nan 0.000 0.461 256 F N 1.228 120.840 119.950 -0.562 0.000 2.171 256 F HA 0.096 4.624 4.527 0.001 0.000 0.300 256 F C 2.661 178.383 175.800 -0.131 0.000 1.090 256 F CA 1.774 59.645 58.000 -0.215 0.000 1.293 256 F CB -0.372 38.549 39.000 -0.131 0.000 1.013 256 F HN 0.857 nan 8.300 nan 0.000 0.486 257 E N -0.072 120.148 120.200 0.033 0.000 2.077 257 E HA -0.298 4.053 4.350 0.001 0.000 0.193 257 E C 2.169 178.773 176.600 0.007 0.000 0.989 257 E CA 1.307 57.719 56.400 0.020 0.000 0.800 257 E CB -0.070 29.624 29.700 -0.011 0.000 0.746 257 E HN 0.290 nan 8.360 nan 0.000 0.452 258 Q N 0.328 120.104 119.800 -0.040 0.000 2.119 258 Q HA -0.057 4.284 4.340 0.001 0.000 0.201 258 Q C 1.749 177.759 176.000 0.017 0.000 0.972 258 Q CA 1.660 57.453 55.803 -0.017 0.000 0.847 258 Q CB -0.315 28.397 28.738 -0.044 0.000 0.903 258 Q HN 0.281 nan 8.270 nan 0.000 0.433 259 A N 0.242 123.075 122.820 0.022 0.000 1.902 259 A HA -0.055 4.266 4.320 0.001 0.000 0.217 259 A C 2.269 179.916 177.584 0.105 0.000 1.181 259 A CA 1.818 53.905 52.037 0.082 0.000 0.623 259 A CB -1.101 17.982 19.000 0.137 0.000 0.818 259 A HN 0.502 nan 8.150 nan 0.000 0.443 260 A N -0.292 122.588 122.820 0.099 0.000 1.969 260 A HA 0.216 4.536 4.320 0.001 0.000 0.218 260 A C 2.456 180.081 177.584 0.070 0.000 1.169 260 A CA 1.877 53.967 52.037 0.088 0.000 0.635 260 A CB -0.854 18.191 19.000 0.075 0.000 0.810 260 A HN 0.985 nan 8.150 nan 0.000 0.445 261 A N 0.519 123.374 122.820 0.059 0.000 1.898 261 A HA -0.172 4.148 4.320 0.001 0.000 0.216 261 A C 1.845 179.468 177.584 0.064 0.000 1.181 261 A CA 1.736 53.806 52.037 0.054 0.000 0.620 261 A CB -0.630 18.397 19.000 0.046 0.000 0.819 261 A HN 0.518 nan 8.150 nan 0.000 0.442 262 N N -0.645 118.098 118.700 0.072 0.000 2.205 262 N HA -0.182 4.559 4.740 0.001 0.000 0.186 262 N C 1.473 177.038 175.510 0.090 0.000 1.015 262 N CA 1.723 54.823 53.050 0.083 0.000 0.862 262 N CB -0.525 38.016 38.487 0.091 0.000 0.986 262 N HN 0.542 nan 8.380 nan 0.000 0.429 263 M N 0.957 120.613 119.600 0.093 0.000 2.346 263 M HA -0.087 4.393 4.480 0.001 0.000 0.263 263 M C 0.825 177.166 176.300 0.070 0.000 1.064 263 M CA 1.465 56.819 55.300 0.090 0.000 1.083 263 M CB -0.404 32.249 32.600 0.089 0.000 1.399 263 M HN 0.142 nan 8.290 nan 0.000 0.435 264 N N -0.314 118.424 118.700 0.064 0.000 2.512 264 N HA -0.113 4.628 4.740 0.001 0.000 0.183 264 N C 1.025 176.567 175.510 0.053 0.000 1.073 264 N CA 0.773 53.855 53.050 0.053 0.000 0.911 264 N CB -0.082 38.435 38.487 0.050 0.000 0.964 264 N HN 0.559 nan 8.380 nan 0.000 0.447 265 E N 0.665 120.902 120.200 0.062 0.000 2.265 265 E HA -0.133 4.217 4.350 0.001 0.000 0.196 265 E C 1.428 178.058 176.600 0.050 0.000 0.996 265 E CA 0.655 57.092 56.400 0.062 0.000 0.832 265 E CB -0.004 29.741 29.700 0.075 0.000 0.756 265 E HN 0.480 nan 8.360 nan 0.000 0.491 266 L N -0.139 121.111 121.223 0.045 0.000 2.313 266 L HA 0.039 4.380 4.340 0.001 0.000 0.214 266 L C 1.635 178.520 176.870 0.025 0.000 1.119 266 L CA 0.336 55.193 54.840 0.029 0.000 0.809 266 L CB -0.888 41.184 42.059 0.022 0.000 0.933 266 L HN 0.229 nan 8.230 nan 0.000 0.449 267 G N 0.920 109.738 108.800 0.030 0.000 2.611 267 G HA2 -0.355 3.606 3.960 0.001 0.000 0.301 267 G HA3 -0.355 3.606 3.960 0.001 0.000 0.301 267 G C 0.547 175.459 174.900 0.020 0.000 1.233 267 G CA 0.361 45.476 45.100 0.025 0.000 0.993 267 G HN 0.208 nan 8.290 nan 0.000 0.553 268 K N 1.769 122.178 120.400 0.015 0.000 2.514 268 K HA 0.281 4.602 4.320 0.001 0.000 0.207 268 K C -0.052 176.553 176.600 0.007 0.000 1.035 268 K CA -0.178 56.116 56.287 0.011 0.000 1.113 268 K CB 0.189 32.696 32.500 0.011 0.000 0.846 268 K HN 0.481 nan 8.250 nan 0.000 0.491 269 D N 1.982 122.386 120.400 0.006 0.000 2.362 269 D HA 0.011 4.652 4.640 0.001 0.000 0.242 269 D C 0.580 176.877 176.300 -0.004 0.000 1.132 269 D CA 0.094 54.095 54.000 0.001 0.000 0.907 269 D CB 0.723 41.526 40.800 0.004 0.000 1.195 269 D HN 0.186 nan 8.370 nan 0.000 0.429 270 N N 0.561 119.258 118.700 -0.006 0.000 2.538 270 N HA 0.143 4.883 4.740 0.001 0.000 0.292 270 N C 1.107 176.611 175.510 -0.011 0.000 1.262 270 N CA -0.594 52.450 53.050 -0.010 0.000 0.976 270 N CB 0.611 39.094 38.487 -0.007 0.000 1.161 270 N HN 0.113 nan 8.380 nan 0.000 0.598 271 I N -0.091 120.473 120.570 -0.010 0.000 2.118 271 I HA -0.248 3.922 4.170 0.001 0.000 0.241 271 I C 1.802 177.931 176.117 0.020 0.000 1.070 271 I CA 1.734 63.041 61.300 0.012 0.000 1.327 271 I CB -1.237 36.786 38.000 0.038 0.000 1.034 271 I HN 0.573 nan 8.210 nan 0.000 0.405 272 E N 0.739 120.932 120.200 -0.011 0.000 2.058 272 E HA -0.238 4.112 4.350 0.001 0.000 0.194 272 E C 2.237 178.818 176.600 -0.031 0.000 0.997 272 E CA 1.360 57.735 56.400 -0.042 0.000 0.801 272 E CB -0.351 29.320 29.700 -0.048 0.000 0.746 272 E HN 0.552 nan 8.360 nan 0.000 0.450 273 Q N -0.128 119.660 119.800 -0.019 0.000 2.084 273 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 273 Q C 2.322 178.320 176.000 -0.003 0.000 0.978 273 Q CA 1.087 56.880 55.803 -0.016 0.000 0.844 273 Q CB -0.176 28.555 28.738 -0.011 0.000 0.898 273 Q HN 0.278 nan 8.270 nan 0.000 0.426 274 L N 0.197 121.427 121.223 0.013 0.000 2.056 274 L HA -0.136 4.205 4.340 0.001 0.000 0.207 274 L C 2.563 179.478 176.870 0.074 0.000 1.078 274 L CA 0.773 55.634 54.840 0.034 0.000 0.749 274 L CB -0.631 41.442 42.059 0.024 0.000 0.901 274 L HN 0.221 nan 8.230 nan 0.000 0.433 275 A N -0.202 122.679 122.820 0.102 0.000 1.892 275 A HA -0.332 3.989 4.320 0.001 0.000 0.218 275 A C 2.212 179.807 177.584 0.017 0.000 1.188 275 A CA 2.182 54.341 52.037 0.204 0.000 0.631 275 A CB -0.650 18.436 19.000 0.144 0.000 0.822 275 A HN 0.402 nan 8.150 nan 0.000 0.447 276 Q N 0.064 119.827 119.800 -0.061 0.000 2.096 276 Q HA -0.161 4.179 4.340 0.001 0.000 0.204 276 Q C 1.942 177.876 176.000 -0.110 0.000 0.982 276 Q CA 2.304 58.027 55.803 -0.132 0.000 0.850 276 Q CB -0.305 28.378 28.738 -0.092 0.000 0.901 276 Q HN 0.709 nan 8.270 nan 0.000 0.422 277 K N -1.211 119.166 120.400 -0.038 0.000 2.057 277 K HA -0.044 4.277 4.320 0.001 0.000 0.206 277 K C 2.023 178.629 176.600 0.011 0.000 1.050 277 K CA 1.075 57.356 56.287 -0.010 0.000 0.935 277 K CB -0.430 32.078 32.500 0.015 0.000 0.715 277 K HN 0.387 nan 8.250 nan 0.000 0.439 278 G N 1.893 110.731 108.800 0.064 0.000 2.418 278 G HA2 -0.282 3.679 3.960 0.001 0.000 0.217 278 G HA3 -0.282 3.679 3.960 0.001 0.000 0.217 278 G C 1.462 176.447 174.900 0.142 0.000 1.158 278 G CA 0.714 45.925 45.100 0.184 0.000 0.771 278 G HN 0.223 nan 8.290 nan 0.000 0.545 279 K N 0.242 120.486 120.400 -0.261 0.000 2.032 279 K HA -0.139 4.182 4.320 0.001 0.000 0.209 279 K C 2.087 178.609 176.600 -0.130 0.000 1.048 279 K CA 1.653 57.612 56.287 -0.547 0.000 0.927 279 K CB -0.145 31.765 32.500 -0.984 0.000 0.712 279 K HN 0.109 nan 8.250 nan 0.000 0.441 280 D N 0.358 120.697 120.400 -0.102 0.000 2.104 280 D HA -0.177 4.464 4.640 0.001 0.000 0.194 280 D C 1.779 178.095 176.300 0.026 0.000 0.994 280 D CA 1.495 55.481 54.000 -0.024 0.000 0.830 280 D CB -0.343 40.440 40.800 -0.029 0.000 0.959 280 D HN 0.372 nan 8.370 nan 0.000 0.452 281 A N 0.007 122.834 122.820 0.012 0.000 1.883 281 A HA -0.172 4.149 4.320 0.001 0.000 0.217 281 A C 2.213 179.744 177.584 -0.088 0.000 1.186 281 A CA 1.359 53.367 52.037 -0.050 0.000 0.624 281 A CB -1.189 17.747 19.000 -0.106 0.000 0.822 281 A HN 0.313 nan 8.150 nan 0.000 0.444 282 W N -0.142 121.181 121.300 0.039 0.000 2.409 282 W HA -0.055 4.606 4.660 0.001 0.000 0.299 282 W C 2.240 178.814 176.519 0.091 0.000 1.203 282 W CA 1.309 58.691 57.345 0.060 0.000 1.298 282 W CB -0.387 29.130 29.460 0.095 0.000 1.127 282 W HN 0.415 nan 8.180 nan 0.000 0.528 283 N N -0.026 118.864 118.700 0.317 0.000 2.223 283 N HA -0.265 4.476 4.740 0.001 0.000 0.185 283 N C 1.672 177.340 175.510 0.262 0.000 1.016 283 N CA 1.375 54.626 53.050 0.335 0.000 0.863 283 N CB -0.256 38.391 38.487 0.266 0.000 0.983 283 N HN 0.181 nan 8.380 nan 0.000 0.429 284 Q N 1.047 120.947 119.800 0.165 0.000 2.170 284 Q HA -0.127 4.214 4.340 0.001 0.000 0.203 284 Q C 1.752 177.830 176.000 0.131 0.000 0.976 284 Q CA 1.734 57.608 55.803 0.119 0.000 0.858 284 Q CB 0.033 28.817 28.738 0.076 0.000 0.907 284 Q HN 0.366 nan 8.270 nan 0.000 0.433 285 V N -2.571 117.429 119.914 0.144 0.000 2.685 285 V HA 0.057 4.178 4.120 0.001 0.000 0.244 285 V C 2.204 178.450 176.094 0.253 0.000 1.054 285 V CA 0.744 63.182 62.300 0.229 0.000 1.076 285 V CB -0.712 31.146 31.823 0.058 0.000 0.725 285 V HN 0.320 nan 8.190 nan 0.000 0.467 286 L N 1.745 123.102 121.223 0.224 0.000 2.083 286 L HA 0.006 4.347 4.340 0.001 0.000 0.209 286 L C 2.707 179.467 176.870 -0.184 0.000 1.083 286 L CA 1.800 56.748 54.840 0.181 0.000 0.752 286 L CB -1.122 41.102 42.059 0.275 0.000 0.899 286 L HN 0.525 nan 8.230 nan 0.000 0.433 287 G N -0.589 108.002 108.800 -0.347 0.000 2.625 287 G HA2 -0.158 3.803 3.960 0.001 0.000 0.214 287 G HA3 -0.158 3.803 3.960 0.001 0.000 0.214 287 G C 1.526 176.177 174.900 -0.414 0.000 1.132 287 G CA 0.078 44.605 45.100 -0.955 0.000 0.782 287 G HN 0.136 nan 8.290 nan 0.000 0.538 288 K N 0.055 120.373 120.400 -0.137 0.000 2.442 288 K HA 0.120 4.440 4.320 0.001 0.000 0.198 288 K C 0.535 177.064 176.600 -0.119 0.000 1.042 288 K CA 0.391 56.648 56.287 -0.049 0.000 0.958 288 K CB 0.192 32.648 32.500 -0.074 0.000 0.766 288 K HN 0.377 nan 8.250 nan 0.000 0.474 289 I N 1.811 122.289 120.570 -0.154 0.000 2.517 289 I HA 0.155 4.326 4.170 0.001 0.000 0.280 289 I C -0.724 175.284 176.117 -0.182 0.000 1.061 289 I CA -0.428 60.786 61.300 -0.143 0.000 1.091 289 I CB 1.591 39.599 38.000 0.013 0.000 1.205 289 I HN -0.143 nan 8.210 nan 0.000 0.459 290 E N 5.669 125.747 120.200 -0.204 0.000 2.197 290 E HA 0.536 4.887 4.350 0.001 0.000 0.281 290 E C -0.680 175.806 176.600 -0.190 0.000 0.995 290 E CA -0.729 55.614 56.400 -0.096 0.000 0.808 290 E CB 2.776 32.531 29.700 0.091 0.000 1.093 290 E HN 0.418 nan 8.360 nan 0.000 0.394 291 V N -0.186 119.566 119.914 -0.269 0.000 2.680 291 V HA 0.641 4.761 4.120 0.001 0.000 0.309 291 V C -0.617 175.272 176.094 -0.342 0.000 1.052 291 V CA -0.755 61.189 62.300 -0.593 0.000 0.908 291 V CB 1.765 32.640 31.823 -1.579 0.000 1.001 291 V HN 0.716 nan 8.190 nan 0.000 0.431 292 E N 1.915 122.024 120.200 -0.152 0.000 2.446 292 E HA 0.728 5.079 4.350 0.001 0.000 0.276 292 E C 0.215 176.967 176.600 0.254 0.000 0.969 292 E CA -0.839 55.612 56.400 0.086 0.000 0.800 292 E CB 1.882 31.615 29.700 0.054 0.000 1.341 292 E HN 1.716 nan 8.360 nan 0.000 0.460 293 G N -0.038 108.944 108.800 0.304 0.000 2.289 293 G HA2 -0.021 3.939 3.960 0.001 0.000 0.280 293 G HA3 -0.021 3.939 3.960 0.001 0.000 0.280 293 G C 0.041 175.083 174.900 0.237 0.000 1.089 293 G CA 0.051 45.283 45.100 0.221 0.000 0.939 293 G HN 0.757 nan 8.290 nan 0.000 0.499 294 G N -0.616 108.320 108.800 0.226 0.000 2.725 294 G HA2 0.794 4.754 3.960 0.001 0.000 0.288 294 G HA3 0.794 4.754 3.960 0.001 0.000 0.288 294 G C -0.263 174.385 174.900 -0.421 0.000 1.399 294 G CA -0.044 45.012 45.100 -0.073 0.000 0.859 294 G HN 1.000 nan 8.290 nan 0.000 0.479 295 N N -1.082 117.376 118.700 -0.403 0.000 2.413 295 N HA 0.313 5.054 4.740 0.001 0.000 0.266 295 N C 1.173 176.401 175.510 -0.470 0.000 1.238 295 N CA -0.783 52.073 53.050 -0.324 0.000 0.972 295 N CB 1.130 39.521 38.487 -0.160 0.000 1.210 295 N HN 0.351 nan 8.380 nan 0.000 0.547 296 L N -0.242 120.879 121.223 -0.171 0.000 2.083 296 L HA -0.085 4.255 4.340 0.001 0.000 0.209 296 L C 1.017 177.907 176.870 0.033 0.000 1.083 296 L CA 1.863 56.712 54.840 0.016 0.000 0.752 296 L CB -1.001 41.143 42.059 0.141 0.000 0.899 296 L HN 0.584 nan 8.230 nan 0.000 0.433 297 D N -0.615 119.780 120.400 -0.007 0.000 2.123 297 D HA -0.227 4.413 4.640 0.001 0.000 0.196 297 D C 2.176 178.501 176.300 0.042 0.000 0.992 297 D CA 1.488 55.501 54.000 0.021 0.000 0.833 297 D CB -0.104 40.692 40.800 -0.007 0.000 0.954 297 D HN 0.553 nan 8.370 nan 0.000 0.455 298 Q N -0.747 119.041 119.800 -0.020 0.000 2.079 298 Q HA -0.156 4.184 4.340 0.001 0.000 0.200 298 Q C 2.139 178.332 176.000 0.321 0.000 0.974 298 Q CA 0.877 56.734 55.803 0.090 0.000 0.840 298 Q CB -0.170 28.503 28.738 -0.108 0.000 0.898 298 Q HN 0.382 nan 8.270 nan 0.000 0.430 299 Y N 0.863 121.279 120.300 0.193 0.000 2.145 299 Y HA -0.178 4.373 4.550 0.001 0.000 0.286 299 Y C 2.312 178.310 175.900 0.163 0.000 1.145 299 Y CA 1.049 59.158 58.100 0.015 0.000 1.148 299 Y CB -0.432 37.706 38.460 -0.536 0.000 0.981 299 Y HN 0.034 nan 8.280 nan 0.000 0.507 300 R N -0.825 119.875 120.500 0.333 0.000 2.075 300 R HA -0.109 4.231 4.340 0.001 0.000 0.232 300 R C 2.194 178.631 176.300 0.228 0.000 1.126 300 R CA 1.865 58.163 56.100 0.330 0.000 0.963 300 R CB -0.685 29.761 30.300 0.244 0.000 0.858 300 R HN 0.259 nan 8.270 nan 0.000 0.435 301 T N 0.925 115.564 114.554 0.143 0.000 2.708 301 T HA -0.184 4.166 4.350 0.001 0.000 0.266 301 T C 1.425 176.120 174.700 -0.008 0.000 1.037 301 T CA 1.452 63.523 62.100 -0.049 0.000 1.146 301 T CB -0.356 68.386 68.868 -0.209 0.000 0.865 301 T HN 0.183 nan 8.240 nan 0.000 0.435 302 F N 0.672 120.690 119.950 0.113 0.000 2.102 302 F HA -0.093 4.435 4.527 0.001 0.000 0.298 302 F C 1.999 177.767 175.800 -0.052 0.000 1.105 302 F CA 1.151 59.234 58.000 0.138 0.000 1.239 302 F CB -0.317 38.745 39.000 0.103 0.000 0.991 302 F HN 0.107 nan 8.300 nan 0.000 0.474 303 Y N -0.143 120.369 120.300 0.354 0.000 2.395 303 Y HA -0.088 4.463 4.550 0.001 0.000 0.293 303 Y C 2.718 178.716 175.900 0.164 0.000 1.123 303 Y CA 1.215 59.468 58.100 0.254 0.000 1.227 303 Y CB -0.993 37.715 38.460 0.412 0.000 1.012 303 Y HN 0.002 nan 8.280 nan 0.000 0.552 304 S N -1.034 114.825 115.700 0.265 0.000 2.368 304 S HA -0.215 4.255 4.470 0.001 0.000 0.225 304 S C 2.257 177.003 174.600 0.243 0.000 1.030 304 S CA 1.392 59.727 58.200 0.226 0.000 0.999 304 S CB -0.823 62.461 63.200 0.140 0.000 0.844 304 S HN 0.533 nan 8.310 nan 0.000 0.459 305 C N 0.966 120.329 119.300 0.105 0.000 2.429 305 C HA -0.009 4.452 4.460 0.001 0.000 0.277 305 C C 2.525 177.545 174.990 0.051 0.000 1.262 305 C CA 0.605 59.687 59.018 0.107 0.000 1.733 305 C CB -1.273 26.476 27.740 0.016 0.000 2.010 305 C HN 0.527 nan 8.230 nan 0.000 0.483 306 L N 0.375 121.565 121.223 -0.056 0.000 2.046 306 L HA -0.125 4.215 4.340 0.001 0.000 0.208 306 L C 2.324 179.262 176.870 0.113 0.000 1.077 306 L CA 2.074 56.891 54.840 -0.039 0.000 0.747 306 L CB -1.367 40.639 42.059 -0.089 0.000 0.896 306 L HN 0.566 nan 8.230 nan 0.000 0.432 307 Y N 0.255 120.584 120.300 0.049 0.000 2.128 307 Y HA -0.242 4.309 4.550 0.001 0.000 0.284 307 Y C 2.377 178.276 175.900 -0.002 0.000 1.154 307 Y CA 1.730 59.825 58.100 -0.009 0.000 1.149 307 Y CB -0.356 37.966 38.460 -0.230 0.000 0.976 307 Y HN 0.083 nan 8.280 nan 0.000 0.505 308 R N 0.361 120.713 120.500 -0.248 0.000 2.241 308 R HA -0.039 4.302 4.340 0.001 0.000 0.224 308 R C 1.788 178.027 176.300 -0.102 0.000 1.101 308 R CA 1.085 57.006 56.100 -0.299 0.000 0.995 308 R CB -0.693 29.595 30.300 -0.020 0.000 0.870 308 R HN 0.394 nan 8.270 nan 0.000 0.463 309 S N 0.351 116.027 115.700 -0.041 0.000 2.575 309 S HA 0.199 4.669 4.470 0.001 0.000 0.215 309 S C 1.257 175.839 174.600 -0.031 0.000 0.966 309 S CA 0.066 58.279 58.200 0.022 0.000 0.911 309 S CB 0.307 63.540 63.200 0.054 0.000 0.780 309 S HN 0.186 nan 8.310 nan 0.000 0.514 310 L N 0.703 121.801 121.223 -0.210 0.000 3.066 310 L HA 0.407 4.748 4.340 0.001 0.000 0.265 310 L C 0.811 177.109 176.870 -0.953 0.000 1.232 310 L CA 0.139 54.577 54.840 -0.669 0.000 1.031 310 L CB 0.046 41.606 42.059 -0.830 0.000 1.379 310 L HN 0.234 nan 8.230 nan 0.000 0.563 311 L N -1.332 119.658 121.223 -0.390 0.000 2.349 311 L HA 0.283 4.624 4.340 0.001 0.000 0.200 311 L C 0.398 177.212 176.870 -0.094 0.000 1.064 311 L CA 0.534 55.174 54.840 -0.332 0.000 0.821 311 L CB 0.219 41.999 42.059 -0.466 0.000 1.027 311 L HN 0.054 nan 8.230 nan 0.000 0.476 312 F N -0.134 119.996 119.950 0.300 0.000 2.525 312 F HA 0.442 4.969 4.527 0.001 0.000 0.346 312 F C -1.801 174.212 175.800 0.354 0.000 1.072 312 F CA -2.589 55.627 58.000 0.361 0.000 1.033 312 F CB -0.293 38.861 39.000 0.256 0.000 1.324 312 F HN -0.233 nan 8.300 nan 0.000 0.491 313 P HA -0.144 nan 4.420 nan 0.000 0.265 313 P C -0.840 176.867 177.300 0.678 0.000 1.151 313 P CA 0.239 63.706 63.100 0.611 0.000 0.755 313 P CB 0.346 32.378 31.700 0.554 0.000 0.756 314 R N 2.622 123.438 120.500 0.527 0.000 2.615 314 R HA 0.290 4.630 4.340 0.001 0.000 0.270 314 R C -0.011 176.476 176.300 0.312 0.000 1.081 314 R CA -0.709 55.632 56.100 0.402 0.000 1.154 314 R CB 0.568 30.955 30.300 0.145 0.000 1.063 314 R HN 0.305 nan 8.270 nan 0.000 0.519 315 K N 1.583 122.007 120.400 0.039 0.000 2.451 315 K HA -0.025 4.296 4.320 0.001 0.000 0.280 315 K C -0.520 176.009 176.600 -0.119 0.000 1.020 315 K CA 0.271 56.255 56.287 -0.505 0.000 1.008 315 K CB 0.334 32.525 32.500 -0.515 0.000 0.917 315 K HN 0.506 nan 8.250 nan 0.000 0.478 316 F N 4.145 123.940 119.950 -0.259 0.000 2.764 316 F HA 0.166 4.694 4.527 0.001 0.000 0.310 316 F C -0.840 175.033 175.800 0.121 0.000 1.124 316 F CA -0.716 57.270 58.000 -0.024 0.000 1.252 316 F CB 0.381 39.374 39.000 -0.010 0.000 1.010 316 F HN 0.462 nan 8.300 nan 0.000 0.518 317 Y N -1.112 119.208 120.300 0.033 0.000 2.549 317 Y HA 0.817 5.368 4.550 0.001 0.000 0.339 317 Y C -0.782 175.171 175.900 0.089 0.000 1.053 317 Y CA -1.438 56.727 58.100 0.108 0.000 1.105 317 Y CB 0.874 39.418 38.460 0.140 0.000 1.258 317 Y HN 0.016 nan 8.280 nan 0.000 0.478 318 E N 1.685 122.046 120.200 0.268 0.000 2.343 318 E HA 0.421 4.772 4.350 0.001 0.000 0.270 318 E C -1.755 174.972 176.600 0.212 0.000 0.895 318 E CA -1.239 55.253 56.400 0.153 0.000 0.767 318 E CB 2.544 32.307 29.700 0.104 0.000 1.248 318 E HN 0.402 nan 8.360 nan 0.000 0.440 319 L N 2.894 124.213 121.223 0.161 0.000 2.305 319 L HA 0.195 4.536 4.340 0.001 0.000 0.281 319 L C 0.225 177.152 176.870 0.096 0.000 1.085 319 L CA -0.077 54.852 54.840 0.148 0.000 0.813 319 L CB 0.316 42.460 42.059 0.141 0.000 1.157 319 L HN 0.613 nan 8.230 nan 0.000 0.436 320 D N 2.225 122.671 120.400 0.076 0.000 2.511 320 D HA 0.303 4.943 4.640 0.001 0.000 0.276 320 D C 1.033 177.359 176.300 0.044 0.000 1.220 320 D CA 0.059 54.090 54.000 0.050 0.000 1.077 320 D CB 0.410 41.231 40.800 0.035 0.000 1.126 320 D HN 0.434 nan 8.370 nan 0.000 0.583 321 A N -0.440 122.399 122.820 0.032 0.000 1.978 321 A HA -0.194 4.127 4.320 0.001 0.000 0.220 321 A C 1.498 179.101 177.584 0.031 0.000 1.170 321 A CA 1.290 53.345 52.037 0.030 0.000 0.636 321 A CB -0.766 18.247 19.000 0.022 0.000 0.810 321 A HN 0.562 nan 8.150 nan 0.000 0.448 322 N N -0.639 118.079 118.700 0.030 0.000 2.313 322 N HA 0.197 4.938 4.740 0.001 0.000 0.207 322 N C 1.041 176.574 175.510 0.039 0.000 1.141 322 N CA 0.857 53.925 53.050 0.030 0.000 0.830 322 N CB 0.287 38.787 38.487 0.023 0.000 1.008 322 N HN 0.604 nan 8.380 nan 0.000 0.481 323 G N 0.609 109.439 108.800 0.050 0.000 2.166 323 G HA2 -0.274 3.687 3.960 0.001 0.000 0.260 323 G HA3 -0.274 3.687 3.960 0.001 0.000 0.260 323 G C -0.006 174.933 174.900 0.065 0.000 0.986 323 G CA 0.168 45.308 45.100 0.066 0.000 0.683 323 G HN 0.235 nan 8.290 nan 0.000 0.527 324 Q N 0.499 120.324 119.800 0.041 0.000 2.259 324 Q HA 0.419 4.759 4.340 0.001 0.000 0.249 324 Q C -2.093 173.911 176.000 0.007 0.000 0.914 324 Q CA -2.282 53.526 55.803 0.008 0.000 0.904 324 Q CB 1.291 30.024 28.738 -0.009 0.000 1.213 324 Q HN 0.327 nan 8.270 nan 0.000 0.428 325 P HA 0.197 nan 4.420 nan 0.000 0.271 325 P C -0.446 176.842 177.300 -0.020 0.000 1.216 325 P CA 0.088 63.138 63.100 -0.082 0.000 0.771 325 P CB 0.503 31.822 31.700 -0.635 0.000 0.864 326 I N 0.338 120.983 120.570 0.125 0.000 3.191 326 I HA 0.678 4.849 4.170 0.001 0.000 0.313 326 I C -0.873 175.396 176.117 0.255 0.000 1.193 326 I CA -1.100 60.270 61.300 0.116 0.000 0.968 326 I CB 2.751 40.775 38.000 0.040 0.000 1.262 326 I HN 0.422 nan 8.210 nan 0.000 0.456 327 H N 1.051 120.212 119.070 0.152 0.000 3.046 327 H HA 0.316 4.872 4.556 0.001 0.000 0.363 327 H C -2.265 173.205 175.328 0.237 0.000 1.203 327 H CA -0.771 55.405 56.048 0.213 0.000 1.169 327 H CB 1.291 31.222 29.762 0.281 0.000 1.851 327 H HN 0.815 nan 8.280 nan 0.000 0.546 328 Y N 2.151 122.585 120.300 0.224 0.000 2.402 328 Y HA 0.236 4.786 4.550 0.001 0.000 0.333 328 Y C 0.210 176.351 175.900 0.402 0.000 1.076 328 Y CA -0.025 58.209 58.100 0.223 0.000 1.299 328 Y CB 0.990 39.592 38.460 0.235 0.000 1.197 328 Y HN 0.657 nan 8.280 nan 0.000 0.517 329 S N 8.403 123.946 115.700 -0.261 0.000 2.422 329 S HA 0.269 4.740 4.470 0.001 0.000 0.283 329 S C -1.842 172.380 174.600 -0.631 0.000 1.163 329 S CA -1.499 56.602 58.200 -0.165 0.000 1.054 329 S CB 0.508 63.691 63.200 -0.029 0.000 0.967 329 S HN 0.655 nan 8.310 nan 0.000 0.499 330 P HA 0.083 nan 4.420 nan 0.000 0.245 330 P C -0.067 176.808 177.300 -0.708 0.000 1.212 330 P CA 0.537 63.242 63.100 -0.659 0.000 0.774 330 P CB -0.065 31.084 31.700 -0.918 0.000 0.999 331 Y N 0.717 120.866 120.300 -0.251 0.000 2.441 331 Y HA 0.072 4.622 4.550 0.001 0.000 0.288 331 Y C 1.760 177.599 175.900 -0.102 0.000 1.118 331 Y CA 0.981 58.973 58.100 -0.180 0.000 1.215 331 Y CB -0.548 37.816 38.460 -0.161 0.000 1.118 331 Y HN 0.093 nan 8.280 nan 0.000 0.547 332 N N -1.762 116.948 118.700 0.017 0.000 2.118 332 N HA 0.205 4.945 4.740 0.001 0.000 0.226 332 N C 1.202 176.689 175.510 -0.038 0.000 1.305 332 N CA 0.527 53.582 53.050 0.008 0.000 0.890 332 N CB 0.659 39.163 38.487 0.028 0.000 1.118 332 N HN 0.213 nan 8.380 nan 0.000 0.511 333 G N -0.052 108.648 108.800 -0.167 0.000 2.184 333 G HA2 -0.342 3.619 3.960 0.001 0.000 0.264 333 G HA3 -0.342 3.619 3.960 0.001 0.000 0.264 333 G C -0.246 174.655 174.900 0.002 0.000 0.975 333 G CA 0.693 45.714 45.100 -0.132 0.000 0.642 333 G HN 0.546 nan 8.290 nan 0.000 0.536 334 Q N -0.744 119.032 119.800 -0.041 0.000 2.249 334 Q HA 0.625 4.966 4.340 0.001 0.000 0.226 334 Q C 0.035 176.043 176.000 0.014 0.000 0.983 334 Q CA -0.694 55.120 55.803 0.017 0.000 0.930 334 Q CB 1.946 30.681 28.738 -0.005 0.000 1.193 334 Q HN 0.174 nan 8.270 nan 0.000 0.508 335 V N 2.488 122.422 119.914 0.032 0.000 2.370 335 V HA 0.390 4.511 4.120 0.001 0.000 0.279 335 V C -0.297 175.729 176.094 -0.114 0.000 1.029 335 V CA -0.323 61.975 62.300 -0.004 0.000 0.870 335 V CB 0.419 32.269 31.823 0.044 0.000 0.984 335 V HN 0.502 nan 8.190 nan 0.000 0.451 336 L N 6.674 127.714 121.223 -0.306 0.000 2.309 336 L HA 0.652 4.993 4.340 0.001 0.000 0.261 336 L C -2.467 174.202 176.870 -0.336 0.000 1.021 336 L CA -2.095 52.563 54.840 -0.303 0.000 0.823 336 L CB 3.048 44.943 42.059 -0.273 0.000 1.366 336 L HN 0.378 nan 8.230 nan 0.000 0.423 337 P HA 0.332 nan 4.420 nan 0.000 0.274 337 P C -0.113 177.226 177.300 0.066 0.000 1.237 337 P CA 0.267 63.341 63.100 -0.043 0.000 0.793 337 P CB 1.138 32.823 31.700 -0.026 0.000 0.977 338 G N 0.183 108.995 108.800 0.021 0.000 2.663 338 G HA2 -0.124 3.837 3.960 0.001 0.000 0.686 338 G HA3 -0.124 3.837 3.960 0.001 0.000 0.686 338 G C -1.236 173.652 174.900 -0.021 0.000 1.288 338 G CA -0.940 44.131 45.100 -0.049 0.000 0.836 338 G HN 0.315 nan 8.290 nan 0.000 0.584 339 Y N -0.852 119.447 120.300 -0.003 0.000 2.426 339 Y HA 0.616 5.166 4.550 0.001 0.000 0.344 339 Y C 1.020 176.878 175.900 -0.070 0.000 1.256 339 Y CA 0.704 58.742 58.100 -0.102 0.000 1.451 339 Y CB 1.188 39.637 38.460 -0.019 0.000 1.342 339 Y HN 0.882 nan 8.280 nan 0.000 0.600 340 M N 2.377 122.132 119.600 0.257 0.000 2.333 340 M HA 0.521 5.001 4.480 0.001 0.000 0.286 340 M C -2.448 174.070 176.300 0.364 0.000 1.113 340 M CA -0.628 54.778 55.300 0.177 0.000 0.959 340 M CB 1.059 33.517 32.600 -0.237 0.000 1.776 340 M HN 0.380 nan 8.290 nan 0.000 0.492 341 F N 0.991 121.104 119.950 0.271 0.000 2.620 341 F HA 0.937 5.465 4.527 0.001 0.000 0.320 341 F C 0.250 176.160 175.800 0.182 0.000 1.069 341 F CA -0.348 57.829 58.000 0.294 0.000 0.953 341 F CB 2.559 41.731 39.000 0.287 0.000 1.322 341 F HN 0.672 nan 8.300 nan 0.000 0.479 342 T N -1.016 113.751 114.554 0.355 0.000 2.661 342 T HA 0.358 4.709 4.350 0.001 0.000 0.305 342 T C -2.013 172.858 174.700 0.286 0.000 1.441 342 T CA -0.483 61.716 62.100 0.165 0.000 0.999 342 T CB 1.005 69.748 68.868 -0.208 0.000 1.650 342 T HN 0.615 nan 8.240 nan 0.000 0.489 343 D N 0.756 121.305 120.400 0.249 0.000 2.760 343 D HA -0.091 4.550 4.640 0.001 0.000 0.244 343 D C -0.542 175.943 176.300 0.310 0.000 1.096 343 D CA 1.513 55.762 54.000 0.416 0.000 0.716 343 D CB -1.328 39.824 40.800 0.586 0.000 1.075 343 D HN 0.631 nan 8.370 nan 0.000 0.434 344 T N -1.230 113.297 114.554 -0.044 0.000 2.894 344 T HA 0.635 4.986 4.350 0.001 0.000 0.309 344 T C -0.523 173.460 174.700 -1.195 0.000 1.208 344 T CA 0.026 61.897 62.100 -0.382 0.000 1.016 344 T CB 1.801 70.706 68.868 0.062 0.000 1.192 344 T HN 0.162 nan 8.240 nan 0.000 0.491 345 G N 2.390 110.325 108.800 -1.442 0.000 2.533 345 G HA2 0.545 4.506 3.960 0.001 0.000 0.310 345 G HA3 0.545 4.506 3.960 0.001 0.000 0.310 345 G C 0.330 174.983 174.900 -0.412 0.000 1.266 345 G CA -0.529 43.524 45.100 -1.745 0.000 0.967 345 G HN 0.596 nan 8.290 nan 0.000 0.493 346 F N 1.052 120.912 119.950 -0.149 0.000 2.293 346 F HA 0.062 4.589 4.527 0.001 0.000 0.300 346 F C 2.043 178.021 175.800 0.296 0.000 1.086 346 F CA -0.153 57.902 58.000 0.091 0.000 1.375 346 F CB -0.355 38.677 39.000 0.054 0.000 1.045 346 F HN 0.749 nan 8.300 nan 0.000 0.516 347 W N 1.666 123.156 121.300 0.316 0.000 2.331 347 W HA -0.241 4.420 4.660 0.002 0.000 0.291 347 W C 1.876 178.583 176.519 0.313 0.000 1.214 347 W CA 2.034 59.610 57.345 0.386 0.000 1.228 347 W CB -0.214 29.435 29.460 0.315 0.000 1.135 347 W HN -0.090 nan 8.180 nan 0.000 0.537 348 D N -1.383 119.213 120.400 0.327 0.000 2.149 348 D HA -0.100 4.540 4.640 0.001 0.000 0.206 348 D C 2.127 178.410 176.300 -0.027 0.000 0.967 348 D CA 2.460 56.510 54.000 0.083 0.000 0.848 348 D CB -0.679 40.251 40.800 0.216 0.000 0.998 348 D HN 0.257 nan 8.370 nan 0.000 0.474 349 T N -1.123 113.526 114.554 0.159 0.000 3.086 349 T HA 0.042 4.392 4.350 0.001 0.000 0.250 349 T C 1.831 176.719 174.700 0.315 0.000 1.074 349 T CA -0.356 61.893 62.100 0.248 0.000 0.988 349 T CB -0.643 68.478 68.868 0.423 0.000 0.988 349 T HN 0.200 nan 8.240 nan 0.000 0.530 350 F N 2.498 122.541 119.950 0.156 0.000 2.234 350 F HA 0.178 4.706 4.527 0.001 0.000 0.299 350 F C 2.228 178.010 175.800 -0.030 0.000 1.087 350 F CA 0.073 58.079 58.000 0.010 0.000 1.340 350 F CB -0.413 38.528 39.000 -0.099 0.000 1.031 350 F HN -0.056 nan 8.300 nan 0.000 0.500 351 R N 0.563 120.494 120.500 -0.948 0.000 2.070 351 R HA -0.108 4.233 4.340 0.001 0.000 0.233 351 R C 1.975 178.081 176.300 -0.324 0.000 1.137 351 R CA 1.996 57.598 56.100 -0.831 0.000 0.945 351 R CB -0.935 28.925 30.300 -0.734 0.000 0.845 351 R HN 0.659 nan 8.270 nan 0.000 0.430 352 C N -2.782 116.451 119.300 -0.112 0.000 4.403 352 C HA 0.339 4.799 4.460 0.001 0.000 0.408 352 C C 1.963 177.091 174.990 0.230 0.000 1.714 352 C CA -0.823 58.173 59.018 -0.037 0.000 2.002 352 C CB -0.525 27.128 27.740 -0.146 0.000 3.129 352 C HN 0.351 nan 8.230 nan 0.000 0.662 353 L N 0.933 122.277 121.223 0.203 0.000 2.027 353 L HA 0.116 4.457 4.340 0.001 0.000 0.206 353 L C 2.126 179.077 176.870 0.135 0.000 1.074 353 L CA 2.287 57.234 54.840 0.177 0.000 0.745 353 L CB -1.063 41.064 42.059 0.112 0.000 0.898 353 L HN 0.371 nan 8.230 nan 0.000 0.433 354 F N 0.456 120.504 119.950 0.163 0.000 2.206 354 F HA -0.011 4.517 4.527 0.001 0.000 0.298 354 F C -0.302 175.596 175.800 0.163 0.000 1.090 354 F CA 0.998 59.081 58.000 0.138 0.000 1.323 354 F CB -1.685 37.349 39.000 0.057 0.000 1.028 354 F HN 0.169 nan 8.300 nan 0.000 0.492 355 P HA -0.206 nan 4.420 nan 0.000 0.216 355 P C 1.918 179.521 177.300 0.505 0.000 1.153 355 P CA 1.169 64.460 63.100 0.319 0.000 0.858 355 P CB -0.026 31.768 31.700 0.158 0.000 0.789 356 L N -0.896 120.661 121.223 0.555 0.000 2.042 356 L HA -0.165 4.176 4.340 0.001 0.000 0.210 356 L C 2.133 179.215 176.870 0.353 0.000 1.076 356 L CA 1.802 56.871 54.840 0.382 0.000 0.749 356 L CB -1.326 40.834 42.059 0.167 0.000 0.893 356 L HN -0.099 nan 8.230 nan 0.000 0.432 357 L N -0.810 120.614 121.223 0.335 0.000 2.083 357 L HA -0.232 4.109 4.340 0.001 0.000 0.209 357 L C 2.137 179.204 176.870 0.328 0.000 1.083 357 L CA 1.827 56.882 54.840 0.358 0.000 0.752 357 L CB -0.755 41.409 42.059 0.174 0.000 0.899 357 L HN 0.414 nan 8.230 nan 0.000 0.433 358 N N -0.306 118.583 118.700 0.314 0.000 2.309 358 N HA -0.182 4.559 4.740 0.001 0.000 0.182 358 N C 1.693 177.475 175.510 0.454 0.000 1.018 358 N CA 0.561 53.792 53.050 0.302 0.000 0.876 358 N CB 0.048 38.660 38.487 0.209 0.000 0.972 358 N HN 0.144 nan 8.380 nan 0.000 0.434 359 L N 0.018 121.528 121.223 0.477 0.000 2.068 359 L HA 0.102 4.443 4.340 0.001 0.000 0.204 359 L C 1.498 178.639 176.870 0.452 0.000 1.076 359 L CA 1.586 56.736 54.840 0.516 0.000 0.753 359 L CB 0.012 42.330 42.059 0.431 0.000 0.910 359 L HN 0.135 nan 8.230 nan 0.000 0.439 360 M N -2.276 117.421 119.600 0.161 0.000 2.379 360 M HA 0.197 4.677 4.480 0.001 0.000 0.265 360 M C -0.216 175.738 176.300 -0.577 0.000 1.095 360 M CA 0.450 55.602 55.300 -0.247 0.000 1.075 360 M CB 0.108 32.340 32.600 -0.612 0.000 1.443 360 M HN 0.138 nan 8.290 nan 0.000 0.519 361 Y N 0.023 120.445 120.300 0.204 0.000 2.555 361 Y HA 0.327 4.877 4.550 0.001 0.000 0.317 361 Y C -1.753 174.186 175.900 0.065 0.000 0.928 361 Y CA -1.817 56.362 58.100 0.132 0.000 1.116 361 Y CB -0.257 38.300 38.460 0.162 0.000 1.169 361 Y HN 0.029 nan 8.280 nan 0.000 0.627 362 P HA -0.141 nan 4.420 nan 0.000 0.218 362 P C 1.423 178.750 177.300 0.046 0.000 1.149 362 P CA 1.668 64.849 63.100 0.136 0.000 0.817 362 P CB 0.280 32.089 31.700 0.181 0.000 0.785 363 S N 0.089 115.814 115.700 0.041 0.000 2.374 363 S HA -0.126 4.345 4.470 0.001 0.000 0.227 363 S C 2.122 176.670 174.600 -0.087 0.000 1.037 363 S CA 1.595 59.791 58.200 -0.007 0.000 1.024 363 S CB -1.841 61.374 63.200 0.026 0.000 0.861 363 S HN -0.005 nan 8.310 nan 0.000 0.456 364 V N 2.940 122.775 119.914 -0.132 0.000 2.358 364 V HA -0.111 4.010 4.120 0.001 0.000 0.246 364 V C 2.561 178.418 176.094 -0.394 0.000 1.047 364 V CA 1.873 63.959 62.300 -0.357 0.000 1.035 364 V CB -1.050 30.336 31.823 -0.728 0.000 0.658 364 V HN 0.457 nan 8.190 nan 0.000 0.452 365 N N 0.644 119.205 118.700 -0.231 0.000 2.309 365 N HA -0.173 4.567 4.740 0.001 0.000 0.182 365 N C 1.712 177.119 175.510 -0.171 0.000 1.018 365 N CA 1.303 54.252 53.050 -0.169 0.000 0.876 365 N CB -0.214 38.284 38.487 0.017 0.000 0.972 365 N HN 0.452 nan 8.380 nan 0.000 0.434 366 K N 1.232 121.545 120.400 -0.146 0.000 2.032 366 K HA -0.105 4.215 4.320 0.001 0.000 0.209 366 K C 1.706 178.179 176.600 -0.212 0.000 1.048 366 K CA 1.589 57.797 56.287 -0.131 0.000 0.927 366 K CB -0.254 32.188 32.500 -0.096 0.000 0.712 366 K HN 0.268 nan 8.250 nan 0.000 0.441 367 E N -0.216 119.767 120.200 -0.361 0.000 2.085 367 E HA -0.207 4.144 4.350 0.001 0.000 0.194 367 E C 2.096 178.471 176.600 -0.374 0.000 0.994 367 E CA 1.841 57.896 56.400 -0.576 0.000 0.801 367 E CB -0.157 29.195 29.700 -0.580 0.000 0.743 367 E HN 0.401 nan 8.360 nan 0.000 0.453 368 M N 0.382 119.607 119.600 -0.626 0.000 2.117 368 M HA -0.185 4.296 4.480 0.001 0.000 0.262 368 M C 2.293 178.507 176.300 -0.143 0.000 1.065 368 M CA 1.190 56.093 55.300 -0.662 0.000 1.114 368 M CB -0.128 32.100 32.600 -0.619 0.000 1.361 368 M HN 0.014 nan 8.290 nan 0.000 0.408 369 Q N 0.415 120.150 119.800 -0.108 0.000 2.046 369 Q HA -0.130 4.210 4.340 0.001 0.000 0.200 369 Q C 1.937 177.968 176.000 0.051 0.000 0.975 369 Q CA 1.228 57.009 55.803 -0.036 0.000 0.836 369 Q CB -0.494 28.210 28.738 -0.056 0.000 0.896 369 Q HN 0.513 nan 8.270 nan 0.000 0.428 370 E N 0.180 120.414 120.200 0.057 0.000 2.130 370 E HA -0.148 4.202 4.350 0.001 0.000 0.196 370 E C 2.026 178.753 176.600 0.211 0.000 0.998 370 E CA 1.295 57.784 56.400 0.149 0.000 0.806 370 E CB -0.418 29.406 29.700 0.207 0.000 0.738 370 E HN 0.496 nan 8.360 nan 0.000 0.459 371 G N 1.265 110.214 108.800 0.247 0.000 2.422 371 G HA2 -0.219 3.741 3.960 0.001 0.000 0.218 371 G HA3 -0.219 3.741 3.960 0.001 0.000 0.218 371 G C 1.764 176.812 174.900 0.246 0.000 1.146 371 G CA 0.533 45.809 45.100 0.293 0.000 0.769 371 G HN 0.168 nan 8.290 nan 0.000 0.547 372 L N 0.428 121.798 121.223 0.245 0.000 2.046 372 L HA -0.086 4.255 4.340 0.001 0.000 0.208 372 L C 2.834 179.935 176.870 0.385 0.000 1.077 372 L CA 0.506 55.540 54.840 0.323 0.000 0.747 372 L CB -0.401 41.816 42.059 0.263 0.000 0.896 372 L HN 0.124 nan 8.230 nan 0.000 0.432 373 I N 0.275 121.037 120.570 0.320 0.000 2.208 373 I HA -0.321 3.850 4.170 0.001 0.000 0.245 373 I C 2.069 178.285 176.117 0.165 0.000 1.097 373 I CA 1.841 63.295 61.300 0.256 0.000 1.363 373 I CB -1.335 36.778 38.000 0.189 0.000 1.051 373 I HN 0.408 nan 8.210 nan 0.000 0.413 374 N N -0.064 118.730 118.700 0.157 0.000 2.166 374 N HA -0.147 4.593 4.740 0.001 0.000 0.186 374 N C 1.693 177.233 175.510 0.051 0.000 1.019 374 N CA 1.738 54.863 53.050 0.125 0.000 0.856 374 N CB -0.069 38.514 38.487 0.159 0.000 0.993 374 N HN 0.315 nan 8.380 nan 0.000 0.426 375 T N -0.020 114.546 114.554 0.019 0.000 2.720 375 T HA -0.209 4.142 4.350 0.001 0.000 0.268 375 T C 1.568 176.098 174.700 -0.283 0.000 1.037 375 T CA 1.116 63.060 62.100 -0.260 0.000 1.144 375 T CB -0.463 68.285 68.868 -0.201 0.000 0.864 375 T HN 0.331 nan 8.240 nan 0.000 0.444 376 Y N 1.780 121.894 120.300 -0.309 0.000 2.145 376 Y HA -0.078 4.472 4.550 0.001 0.000 0.286 376 Y C 2.028 177.733 175.900 -0.326 0.000 1.145 376 Y CA 1.128 58.939 58.100 -0.482 0.000 1.148 376 Y CB -0.552 37.342 38.460 -0.943 0.000 0.981 376 Y HN 0.122 nan 8.280 nan 0.000 0.507 377 L N -0.071 121.022 121.223 -0.216 0.000 2.079 377 L HA -0.229 4.112 4.340 0.001 0.000 0.210 377 L C 2.108 178.847 176.870 -0.217 0.000 1.081 377 L CA 1.978 56.685 54.840 -0.221 0.000 0.752 377 L CB -0.522 41.512 42.059 -0.042 0.000 0.896 377 L HN 0.305 nan 8.230 nan 0.000 0.433 378 E N -0.800 119.314 120.200 -0.145 0.000 2.318 378 E HA -0.075 4.275 4.350 0.001 0.000 0.193 378 E C 1.988 178.542 176.600 -0.077 0.000 0.998 378 E CA 1.064 57.425 56.400 -0.064 0.000 0.859 378 E CB 0.230 29.965 29.700 0.060 0.000 0.812 378 E HN 0.513 nan 8.360 nan 0.000 0.492 379 S N -1.921 113.675 115.700 -0.175 0.000 2.575 379 S HA 0.333 4.803 4.470 0.001 0.000 0.230 379 S C 1.692 176.277 174.600 -0.024 0.000 1.062 379 S CA 0.245 58.433 58.200 -0.020 0.000 0.913 379 S CB 1.043 64.230 63.200 -0.022 0.000 0.837 379 S HN 0.298 nan 8.310 nan 0.000 0.487 380 G N 0.637 109.210 108.800 -0.378 0.000 2.234 380 G HA2 -0.171 3.790 3.960 0.001 0.000 0.235 380 G HA3 -0.171 3.790 3.960 0.001 0.000 0.235 380 G C -0.127 174.306 174.900 -0.778 0.000 0.997 380 G CA 0.126 44.831 45.100 -0.658 0.000 0.623 380 G HN 0.493 nan 8.290 nan 0.000 0.514 381 F N -0.405 119.413 119.950 -0.219 0.000 2.603 381 F HA 0.808 5.336 4.527 0.001 0.000 0.317 381 F C 0.112 175.964 175.800 0.088 0.000 1.066 381 F CA -1.478 56.538 58.000 0.028 0.000 0.941 381 F CB 1.130 40.141 39.000 0.018 0.000 1.291 381 F HN -0.062 nan 8.300 nan 0.000 0.472 382 F N 3.177 123.380 119.950 0.420 0.000 2.410 382 F HA 0.372 4.900 4.527 0.001 0.000 0.334 382 F C -1.857 174.136 175.800 0.323 0.000 1.134 382 F CA -2.162 56.012 58.000 0.290 0.000 1.227 382 F CB 0.230 39.325 39.000 0.160 0.000 1.194 382 F HN 0.093 nan 8.300 nan 0.000 0.571 383 P HA 0.158 nan 4.420 nan 0.000 0.277 383 P C -0.527 176.961 177.300 0.313 0.000 1.240 383 P CA -0.190 63.182 63.100 0.453 0.000 0.798 383 P CB 1.801 33.697 31.700 0.326 0.000 0.979 384 E N 0.962 121.284 120.200 0.204 0.000 2.182 384 E HA 0.071 4.422 4.350 0.001 0.000 0.195 384 E C -0.151 176.412 176.600 -0.063 0.000 0.933 384 E CA 0.856 57.349 56.400 0.155 0.000 0.940 384 E CB -0.094 29.748 29.700 0.238 0.000 0.945 384 E HN 0.509 nan 8.360 nan 0.000 0.477 385 W N 0.611 121.921 121.300 0.016 0.000 2.475 385 W HA 0.559 5.220 4.660 0.001 0.000 0.317 385 W C -0.896 175.619 176.519 -0.006 0.000 1.046 385 W CA -0.374 56.960 57.345 -0.018 0.000 1.215 385 W CB 1.593 31.064 29.460 0.020 0.000 1.335 385 W HN -0.013 nan 8.180 nan 0.000 0.471 386 A N 3.368 126.406 122.820 0.363 0.000 2.359 386 A HA 0.710 5.030 4.320 0.001 0.000 0.303 386 A C -1.065 176.661 177.584 0.236 0.000 1.066 386 A CA -0.532 51.632 52.037 0.211 0.000 0.730 386 A CB 1.813 20.865 19.000 0.086 0.000 1.211 386 A HN 0.317 nan 8.150 nan 0.000 0.439 387 S N 4.223 119.938 115.700 0.024 0.000 2.653 387 S HA 0.537 5.008 4.470 0.001 0.000 0.268 387 S C -1.923 172.401 174.600 -0.459 0.000 1.153 387 S CA -0.760 57.407 58.200 -0.054 0.000 1.036 387 S CB 1.471 64.733 63.200 0.102 0.000 1.103 387 S HN 0.464 nan 8.310 nan 0.000 0.466 388 P HA -0.135 nan 4.420 nan 0.000 0.222 388 P C 0.985 177.793 177.300 -0.821 0.000 1.157 388 P CA 1.837 64.366 63.100 -0.952 0.000 0.905 388 P CB -0.306 30.584 31.700 -1.349 0.000 0.792 389 G N -1.495 106.837 108.800 -0.779 0.000 2.531 389 G HA2 0.210 4.171 3.960 0.001 0.000 0.281 389 G HA3 0.210 4.171 3.960 0.001 0.000 0.281 389 G C -0.519 174.174 174.900 -0.344 0.000 1.382 389 G CA -0.449 44.141 45.100 -0.850 0.000 1.045 389 G HN 0.178 nan 8.290 nan 0.000 0.533 390 H N 0.806 119.863 119.070 -0.022 0.000 2.964 390 H HA 0.228 4.785 4.556 0.001 0.000 0.328 390 H C 0.384 175.652 175.328 -0.101 0.000 1.030 390 H CA 0.504 56.548 56.048 -0.006 0.000 1.445 390 H CB 0.497 30.194 29.762 -0.110 0.000 1.449 390 H HN 0.155 nan 8.280 nan 0.000 0.581 391 R N 1.328 121.884 120.500 0.093 0.000 2.807 391 R HA 0.375 4.716 4.340 0.001 0.000 0.276 391 R C 0.230 176.534 176.300 0.007 0.000 0.979 391 R CA -1.003 55.092 56.100 -0.008 0.000 0.928 391 R CB 2.132 32.395 30.300 -0.061 0.000 1.191 391 R HN 0.767 nan 8.270 nan 0.000 0.471 392 G N 0.480 109.250 108.800 -0.050 0.000 2.475 392 G HA2 0.427 4.388 3.960 0.001 0.000 0.322 392 G HA3 0.427 4.388 3.960 0.001 0.000 0.322 392 G C -0.715 174.150 174.900 -0.058 0.000 1.044 392 G CA -0.158 44.922 45.100 -0.034 0.000 1.047 392 G HN 0.453 nan 8.290 nan 0.000 0.436 393 C N 5.098 124.393 119.300 -0.009 0.000 2.931 393 C HA 0.692 5.152 4.460 0.001 0.000 0.370 393 C C -0.116 174.928 174.990 0.091 0.000 1.071 393 C CA -0.539 58.443 59.018 -0.061 0.000 1.266 393 C CB 0.519 28.037 27.740 -0.370 0.000 1.691 393 C HN 0.992 nan 8.230 nan 0.000 0.511 394 M N 2.913 122.483 119.600 -0.050 0.000 7.319 394 M HA -0.141 4.339 4.480 0.001 0.000 0.129 394 M C -0.135 176.121 176.300 -0.073 0.000 0.480 394 M CA 1.663 56.846 55.300 -0.196 0.000 1.311 394 M CB -2.130 30.323 32.600 -0.245 0.000 0.421 394 M HN 1.548 nan 8.290 nan 0.000 0.500 395 V N -3.034 116.834 119.914 -0.078 0.000 3.165 395 V HA 1.052 5.173 4.120 0.001 0.000 0.309 395 V C 0.243 176.532 176.094 0.324 0.000 1.267 395 V CA 0.492 62.852 62.300 0.101 0.000 1.067 395 V CB 1.245 33.087 31.823 0.032 0.000 1.082 395 V HN 2.649 nan 8.190 nan 0.000 0.451 396 G N 1.228 110.202 108.800 0.291 0.000 2.663 396 G HA2 -0.017 3.944 3.960 0.001 0.000 0.686 396 G HA3 -0.017 3.944 3.960 0.001 0.000 0.686 396 G C -0.655 174.481 174.900 0.393 0.000 1.288 396 G CA 0.088 45.409 45.100 0.370 0.000 0.836 396 G HN 1.839 nan 8.290 nan 0.000 0.584 397 N N 0.049 118.953 118.700 0.340 0.000 2.610 397 N HA 0.185 4.925 4.740 0.001 0.000 0.309 397 N C 1.042 176.563 175.510 0.018 0.000 1.536 397 N CA -0.057 53.093 53.050 0.166 0.000 0.954 397 N CB -0.434 38.078 38.487 0.041 0.000 1.310 397 N HN 0.503 nan 8.380 nan 0.000 0.502 398 N N -1.214 117.503 118.700 0.028 0.000 2.515 398 N HA -0.094 4.647 4.740 0.001 0.000 0.185 398 N C 1.566 176.901 175.510 -0.293 0.000 1.109 398 N CA 0.556 53.470 53.050 -0.227 0.000 0.903 398 N CB 0.259 38.543 38.487 -0.339 0.000 0.969 398 N HN 0.308 nan 8.380 nan 0.000 0.450 399 S N 0.468 116.084 115.700 -0.141 0.000 2.420 399 S HA -0.211 4.260 4.470 0.001 0.000 0.237 399 S C 2.100 176.382 174.600 -0.531 0.000 1.023 399 S CA 0.960 58.921 58.200 -0.398 0.000 0.991 399 S CB -0.445 62.746 63.200 -0.016 0.000 0.792 399 S HN 0.377 nan 8.310 nan 0.000 0.488 400 A N 1.470 124.047 122.820 -0.405 0.000 1.933 400 A HA -0.027 4.293 4.320 0.001 0.000 0.218 400 A C 2.463 179.757 177.584 -0.483 0.000 1.175 400 A CA 1.878 53.647 52.037 -0.447 0.000 0.628 400 A CB -1.265 17.503 19.000 -0.387 0.000 0.814 400 A HN 0.619 nan 8.150 nan 0.000 0.444 401 S N -0.540 114.861 115.700 -0.498 0.000 2.371 401 S HA -0.084 4.387 4.470 0.001 0.000 0.224 401 S C 1.954 176.342 174.600 -0.354 0.000 1.029 401 S CA 1.136 59.088 58.200 -0.413 0.000 0.978 401 S CB -0.424 62.557 63.200 -0.365 0.000 0.833 401 S HN 0.388 nan 8.310 nan 0.000 0.466 402 I N 1.681 121.942 120.570 -0.514 0.000 2.127 402 I HA -0.181 3.990 4.170 0.001 0.000 0.241 402 I C 2.373 178.174 176.117 -0.527 0.000 1.075 402 I CA 1.394 62.300 61.300 -0.658 0.000 1.334 402 I CB -1.329 35.904 38.000 -1.279 0.000 1.040 402 I HN 0.364 nan 8.210 nan 0.000 0.405 403 L N -0.142 120.743 121.223 -0.563 0.000 2.027 403 L HA -0.163 4.178 4.340 0.001 0.000 0.206 403 L C 2.606 179.290 176.870 -0.309 0.000 1.074 403 L CA 0.882 55.443 54.840 -0.466 0.000 0.745 403 L CB -0.561 41.130 42.059 -0.614 0.000 0.898 403 L HN 0.008 nan 8.230 nan 0.000 0.433 404 V N -0.359 119.360 119.914 -0.325 0.000 2.453 404 V HA -0.262 3.858 4.120 0.001 0.000 0.247 404 V C 2.126 178.119 176.094 -0.168 0.000 1.048 404 V CA 1.867 64.013 62.300 -0.256 0.000 1.049 404 V CB -0.426 31.201 31.823 -0.328 0.000 0.672 404 V HN 0.469 nan 8.190 nan 0.000 0.457 405 D N 0.623 120.921 120.400 -0.170 0.000 2.123 405 D HA -0.173 4.468 4.640 0.001 0.000 0.196 405 D C 2.128 178.365 176.300 -0.105 0.000 0.992 405 D CA 1.687 55.618 54.000 -0.115 0.000 0.833 405 D CB -0.122 40.631 40.800 -0.078 0.000 0.954 405 D HN 0.356 nan 8.370 nan 0.000 0.455 406 A N -0.670 122.089 122.820 -0.102 0.000 1.865 406 A HA -0.192 4.129 4.320 0.001 0.000 0.217 406 A C 2.311 179.861 177.584 -0.058 0.000 1.191 406 A CA 1.690 53.685 52.037 -0.070 0.000 0.623 406 A CB -1.467 17.487 19.000 -0.077 0.000 0.826 406 A HN 0.504 nan 8.150 nan 0.000 0.444 407 Y N -0.089 120.116 120.300 -0.159 0.000 2.128 407 Y HA -0.223 4.327 4.550 0.001 0.000 0.284 407 Y C 2.313 178.125 175.900 -0.145 0.000 1.154 407 Y CA 2.218 60.233 58.100 -0.142 0.000 1.149 407 Y CB -0.159 38.206 38.460 -0.159 0.000 0.976 407 Y HN 0.215 nan 8.280 nan 0.000 0.505 408 M N -0.055 119.575 119.600 0.051 0.000 2.460 408 M HA -0.133 4.347 4.480 0.001 0.000 0.263 408 M C 1.291 177.490 176.300 -0.169 0.000 1.071 408 M CA 1.477 56.749 55.300 -0.046 0.000 1.096 408 M CB -0.708 31.840 32.600 -0.087 0.000 1.408 408 M HN 0.191 nan 8.290 nan 0.000 0.463 409 K N -0.584 119.686 120.400 -0.217 0.000 2.437 409 K HA 0.294 4.615 4.320 0.001 0.000 0.205 409 K C 0.846 177.319 176.600 -0.212 0.000 1.026 409 K CA 0.319 56.390 56.287 -0.360 0.000 1.153 409 K CB 0.301 32.512 32.500 -0.482 0.000 0.863 409 K HN 0.439 nan 8.250 nan 0.000 0.502 410 G N 0.329 109.021 108.800 -0.179 0.000 2.176 410 G HA2 -0.219 3.742 3.960 0.001 0.000 0.232 410 G HA3 -0.219 3.742 3.960 0.001 0.000 0.232 410 G C 0.020 174.852 174.900 -0.113 0.000 0.986 410 G CA -0.079 44.947 45.100 -0.124 0.000 0.643 410 G HN 0.124 nan 8.290 nan 0.000 0.522 411 V N 2.379 122.227 119.914 -0.110 0.000 2.284 411 V HA 0.396 4.517 4.120 0.001 0.000 0.260 411 V C 0.356 176.377 176.094 -0.122 0.000 1.084 411 V CA -0.129 62.124 62.300 -0.078 0.000 0.894 411 V CB 0.827 32.632 31.823 -0.029 0.000 1.119 411 V HN 0.292 nan 8.190 nan 0.000 0.484 412 K N 3.798 124.110 120.400 -0.148 0.000 2.307 412 K HA 0.572 4.893 4.320 0.001 0.000 0.263 412 K C -0.197 176.391 176.600 -0.020 0.000 0.973 412 K CA -0.682 55.517 56.287 -0.146 0.000 0.846 412 K CB 2.469 34.778 32.500 -0.319 0.000 1.100 412 K HN 0.525 nan 8.250 nan 0.000 0.438 413 V N -0.393 119.552 119.914 0.052 0.000 3.051 413 V HA 0.028 4.148 4.120 0.001 0.000 0.306 413 V C 0.709 176.845 176.094 0.070 0.000 1.083 413 V CA -0.070 62.268 62.300 0.062 0.000 1.104 413 V CB 0.723 32.593 31.823 0.080 0.000 1.027 413 V HN 0.662 nan 8.190 nan 0.000 0.483 414 D N 0.510 120.950 120.400 0.066 0.000 2.117 414 D HA -0.076 4.565 4.640 0.001 0.000 0.198 414 D C 0.841 177.177 176.300 0.061 0.000 0.982 414 D CA 1.650 55.685 54.000 0.058 0.000 0.828 414 D CB -0.162 40.671 40.800 0.056 0.000 0.967 414 D HN 0.827 nan 8.370 nan 0.000 0.464 415 D N 0.214 120.654 120.400 0.066 0.000 2.517 415 D HA 0.108 4.748 4.640 0.001 0.000 0.220 415 D C 1.196 177.528 176.300 0.053 0.000 1.158 415 D CA -0.184 53.850 54.000 0.056 0.000 0.992 415 D CB -0.062 40.774 40.800 0.059 0.000 1.058 415 D HN 0.068 nan 8.370 nan 0.000 0.516 416 I N 1.835 122.435 120.570 0.050 0.000 2.394 416 I HA -0.191 3.980 4.170 0.001 0.000 0.251 416 I C 2.460 178.575 176.117 -0.003 0.000 1.136 416 I CA 0.701 62.015 61.300 0.024 0.000 1.425 416 I CB -0.031 37.983 38.000 0.024 0.000 1.079 416 I HN 0.221 nan 8.210 nan 0.000 0.425 417 K N 0.800 121.202 120.400 0.003 0.000 2.032 417 K HA -0.190 4.131 4.320 0.001 0.000 0.209 417 K C 2.060 178.667 176.600 0.012 0.000 1.048 417 K CA 2.081 58.372 56.287 0.006 0.000 0.927 417 K CB -0.127 32.376 32.500 0.005 0.000 0.712 417 K HN 0.279 nan 8.250 nan 0.000 0.441 418 T N 2.097 116.653 114.554 0.002 0.000 2.821 418 T HA -0.149 4.201 4.350 0.001 0.000 0.267 418 T C 1.678 176.301 174.700 -0.129 0.000 1.046 418 T CA 1.142 63.217 62.100 -0.041 0.000 1.139 418 T CB -0.229 68.647 68.868 0.014 0.000 0.871 418 T HN 0.181 nan 8.240 nan 0.000 0.454 419 L N 0.468 121.680 121.223 -0.020 0.000 1.989 419 L HA -0.093 4.248 4.340 0.001 0.000 0.211 419 L C 2.155 178.998 176.870 -0.045 0.000 1.071 419 L CA 1.805 56.660 54.840 0.024 0.000 0.749 419 L CB -1.069 40.987 42.059 -0.006 0.000 0.890 419 L HN 0.252 nan 8.230 nan 0.000 0.431 420 Y N 0.595 120.788 120.300 -0.177 0.000 2.200 420 Y HA -0.187 4.364 4.550 0.001 0.000 0.290 420 Y C 2.468 178.263 175.900 -0.174 0.000 1.137 420 Y CA 2.099 60.077 58.100 -0.204 0.000 1.163 420 Y CB -0.141 38.199 38.460 -0.200 0.000 0.988 420 Y HN 0.417 nan 8.280 nan 0.000 0.518 421 E N -0.820 119.313 120.200 -0.112 0.000 2.077 421 E HA -0.174 4.177 4.350 0.001 0.000 0.193 421 E C 2.425 178.841 176.600 -0.308 0.000 0.989 421 E CA 0.934 57.237 56.400 -0.162 0.000 0.800 421 E CB -0.546 29.107 29.700 -0.078 0.000 0.746 421 E HN 0.618 nan 8.360 nan 0.000 0.452 422 G N 1.564 110.010 108.800 -0.590 0.000 2.446 422 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 422 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 422 G C 1.608 176.391 174.900 -0.195 0.000 1.168 422 G CA 0.579 45.118 45.100 -0.935 0.000 0.771 422 G HN 0.080 nan 8.290 nan 0.000 0.551 423 L N 0.362 121.497 121.223 -0.147 0.000 2.012 423 L HA -0.092 4.249 4.340 0.001 0.000 0.210 423 L C 2.830 179.535 176.870 -0.276 0.000 1.073 423 L CA 0.669 55.368 54.840 -0.235 0.000 0.748 423 L CB -0.324 41.465 42.059 -0.449 0.000 0.891 423 L HN 0.148 nan 8.230 nan 0.000 0.431 424 I N -0.961 119.391 120.570 -0.362 0.000 2.315 424 I HA -0.297 3.874 4.170 0.001 0.000 0.248 424 I C 2.543 178.580 176.117 -0.133 0.000 1.117 424 I CA 1.456 62.607 61.300 -0.248 0.000 1.404 424 I CB -1.518 36.320 38.000 -0.269 0.000 1.071 424 I HN 0.445 nan 8.210 nan 0.000 0.419 425 H N 1.570 120.519 119.070 -0.202 0.000 2.387 425 H HA -0.129 4.427 4.556 0.001 0.000 0.299 425 H C 2.051 177.255 175.328 -0.207 0.000 1.099 425 H CA 1.857 57.787 56.048 -0.196 0.000 1.315 425 H CB 0.043 29.701 29.762 -0.173 0.000 1.380 425 H HN 0.312 nan 8.280 nan 0.000 0.513 426 G N -0.403 108.347 108.800 -0.082 0.000 2.598 426 G HA2 -0.181 3.780 3.960 0.001 0.000 0.215 426 G HA3 -0.181 3.780 3.960 0.001 0.000 0.215 426 G C 1.727 176.519 174.900 -0.179 0.000 1.131 426 G CA 0.964 46.035 45.100 -0.047 0.000 0.785 426 G HN 0.599 nan 8.290 nan 0.000 0.539 427 T N -1.170 113.260 114.554 -0.206 0.000 3.067 427 T HA 0.077 4.427 4.350 0.001 0.000 0.257 427 T C 1.392 175.907 174.700 -0.308 0.000 1.105 427 T CA 1.050 63.038 62.100 -0.186 0.000 1.104 427 T CB 0.030 68.900 68.868 0.003 0.000 0.925 427 T HN 0.539 nan 8.240 nan 0.000 0.498 428 E N 0.553 120.433 120.200 -0.534 0.000 2.876 428 E HA 0.294 4.644 4.350 0.001 0.000 0.208 428 E C -0.592 175.125 176.600 -1.472 0.000 0.981 428 E CA -0.726 55.081 56.400 -0.988 0.000 1.174 428 E CB 0.266 29.719 29.700 -0.412 0.000 1.047 428 E HN 0.304 nan 8.360 nan 0.000 0.477 429 N N 0.794 118.858 118.700 -1.059 0.000 2.329 429 N HA 0.357 5.097 4.740 0.001 0.000 0.282 429 N C -1.835 173.626 175.510 -0.082 0.000 1.198 429 N CA -0.575 52.131 53.050 -0.573 0.000 0.790 429 N CB 2.989 41.141 38.487 -0.558 0.000 1.579 429 N HN 0.019 nan 8.380 nan 0.000 0.475 430 V N 0.750 120.752 119.914 0.148 0.000 2.709 430 V HA 0.300 4.421 4.120 0.001 0.000 0.308 430 V C -0.622 175.480 176.094 0.014 0.000 1.062 430 V CA -0.559 61.819 62.300 0.131 0.000 0.901 430 V CB 1.591 33.512 31.823 0.162 0.000 1.003 430 V HN 0.838 nan 8.190 nan 0.000 0.425 431 H N 7.706 126.458 119.070 -0.530 0.000 3.034 431 H HA 0.208 4.765 4.556 0.001 0.000 0.324 431 H C -1.792 173.427 175.328 -0.181 0.000 1.015 431 H CA -0.104 55.573 56.048 -0.618 0.000 1.429 431 H CB 1.585 30.844 29.762 -0.838 0.000 1.429 431 H HN 0.531 nan 8.280 nan 0.000 0.585 432 P HA -0.133 nan 4.420 nan 0.000 0.218 432 P C 0.645 178.012 177.300 0.112 0.000 1.148 432 P CA 1.422 64.511 63.100 -0.019 0.000 0.822 432 P CB 0.366 32.013 31.700 -0.087 0.000 0.784 433 E N -1.707 118.696 120.200 0.338 0.000 2.364 433 E HA 0.086 4.437 4.350 0.001 0.000 0.203 433 E C -0.132 176.521 176.600 0.090 0.000 0.888 433 E CA 0.120 56.641 56.400 0.202 0.000 0.989 433 E CB 0.620 30.435 29.700 0.191 0.000 0.985 433 E HN -0.189 nan 8.360 nan 0.000 0.499 434 V N 2.794 122.714 119.914 0.009 0.000 2.288 434 V HA 0.072 4.193 4.120 0.001 0.000 0.266 434 V C 0.936 176.976 176.094 -0.091 0.000 1.048 434 V CA 0.332 62.535 62.300 -0.162 0.000 0.842 434 V CB 0.908 32.483 31.823 -0.413 0.000 1.064 434 V HN 0.323 nan 8.190 nan 0.000 0.472 435 S N 2.391 118.078 115.700 -0.021 0.000 2.547 435 S HA -0.098 4.373 4.470 0.001 0.000 0.235 435 S C 1.655 176.268 174.600 0.021 0.000 0.980 435 S CA 0.904 59.111 58.200 0.012 0.000 0.941 435 S CB -0.165 63.054 63.200 0.032 0.000 0.763 435 S HN 0.843 nan 8.310 nan 0.000 0.532 436 S N -0.178 115.526 115.700 0.008 0.000 2.605 436 S HA 0.214 4.684 4.470 0.001 0.000 0.217 436 S C 0.278 174.906 174.600 0.046 0.000 0.958 436 S CA -0.472 57.764 58.200 0.059 0.000 0.919 436 S CB -0.248 63.004 63.200 0.088 0.000 0.780 436 S HN 0.342 nan 8.310 nan 0.000 0.507 437 T N 2.551 117.062 114.554 -0.071 0.000 2.770 437 T HA 0.671 5.022 4.350 0.001 0.000 0.283 437 T C 0.519 175.112 174.700 -0.179 0.000 0.988 437 T CA 0.326 62.318 62.100 -0.179 0.000 0.957 437 T CB 0.846 69.405 68.868 -0.516 0.000 0.930 437 T HN 0.827 nan 8.240 nan 0.000 0.443 438 G N 3.362 112.203 108.800 0.068 0.000 2.660 438 G HA2 -0.171 3.790 3.960 0.001 0.000 0.215 438 G HA3 -0.171 3.790 3.960 0.001 0.000 0.215 438 G C -0.891 174.070 174.900 0.102 0.000 1.345 438 G CA -0.967 44.248 45.100 0.191 0.000 0.877 438 G HN 0.768 nan 8.290 nan 0.000 0.549 439 R N -0.214 120.308 120.500 0.037 0.000 2.247 439 R HA 0.430 4.771 4.340 0.001 0.000 0.329 439 R C 0.120 176.554 176.300 0.222 0.000 1.014 439 R CA -0.795 55.316 56.100 0.018 0.000 0.907 439 R CB 1.221 31.280 30.300 -0.402 0.000 1.146 439 R HN 0.548 nan 8.270 nan 0.000 0.499 440 L N 2.017 123.404 121.223 0.274 0.000 2.490 440 L HA 0.153 4.493 4.340 0.001 0.000 0.274 440 L C 1.196 178.253 176.870 0.311 0.000 1.201 440 L CA 1.625 56.620 54.840 0.258 0.000 0.869 440 L CB 0.593 42.758 42.059 0.178 0.000 1.123 440 L HN 0.929 nan 8.230 nan 0.000 0.484 441 G N 3.383 112.334 108.800 0.250 0.000 2.148 441 G HA2 -0.404 3.557 3.960 0.001 0.000 0.254 441 G HA3 -0.404 3.557 3.960 0.001 0.000 0.254 441 G C 0.574 175.625 174.900 0.251 0.000 0.981 441 G CA 0.876 46.132 45.100 0.261 0.000 0.670 441 G HN 1.163 nan 8.290 nan 0.000 0.528 442 Y N 0.247 120.635 120.300 0.146 0.000 2.256 442 Y HA 0.099 4.649 4.550 0.001 0.000 0.288 442 Y C 2.130 178.096 175.900 0.110 0.000 1.155 442 Y CA 1.735 59.889 58.100 0.090 0.000 1.203 442 Y CB -0.483 37.955 38.460 -0.036 0.000 0.980 442 Y HN 0.349 nan 8.280 nan 0.000 0.530 443 E N 0.557 120.314 120.200 -0.740 0.000 2.023 443 E HA -0.189 4.162 4.350 0.001 0.000 0.196 443 E C 1.900 178.324 176.600 -0.294 0.000 1.003 443 E CA 2.133 58.171 56.400 -0.603 0.000 0.809 443 E CB -1.021 28.245 29.700 -0.723 0.000 0.755 443 E HN 0.643 nan 8.360 nan 0.000 0.449 444 Y N -0.535 119.673 120.300 -0.154 0.000 2.128 444 Y HA -0.259 4.291 4.550 0.001 0.000 0.284 444 Y C 2.393 178.241 175.900 -0.086 0.000 1.154 444 Y CA 1.699 59.720 58.100 -0.132 0.000 1.149 444 Y CB -0.828 37.560 38.460 -0.121 0.000 0.976 444 Y HN 0.151 nan 8.280 nan 0.000 0.505 445 Y N 1.039 121.399 120.300 0.099 0.000 2.128 445 Y HA -0.309 4.241 4.550 0.001 0.000 0.284 445 Y C 1.980 177.908 175.900 0.046 0.000 1.154 445 Y CA 2.143 60.306 58.100 0.105 0.000 1.149 445 Y CB -0.838 37.770 38.460 0.246 0.000 0.976 445 Y HN 0.180 nan 8.280 nan 0.000 0.505 446 N N -0.238 118.533 118.700 0.119 0.000 2.166 446 N HA -0.189 4.552 4.740 0.001 0.000 0.186 446 N C 1.876 177.323 175.510 -0.105 0.000 1.019 446 N CA 1.181 54.226 53.050 -0.008 0.000 0.856 446 N CB -0.189 38.347 38.487 0.082 0.000 0.993 446 N HN 0.344 nan 8.380 nan 0.000 0.426 447 K N 0.891 121.226 120.400 -0.107 0.000 2.076 447 K HA -0.014 4.307 4.320 0.001 0.000 0.204 447 K C 1.465 177.980 176.600 -0.143 0.000 1.051 447 K CA 0.864 57.075 56.287 -0.126 0.000 0.949 447 K CB 0.193 32.606 32.500 -0.146 0.000 0.726 447 K HN 0.080 nan 8.250 nan 0.000 0.443 448 L N -1.143 119.966 121.223 -0.191 0.000 2.515 448 L HA 0.286 4.627 4.340 0.001 0.000 0.223 448 L C 1.238 177.991 176.870 -0.195 0.000 1.079 448 L CA 0.631 55.321 54.840 -0.250 0.000 0.857 448 L CB 0.910 42.649 42.059 -0.533 0.000 1.050 448 L HN 0.512 nan 8.230 nan 0.000 0.476 449 G N -0.676 107.978 108.800 -0.243 0.000 2.175 449 G HA2 -0.297 3.664 3.960 0.001 0.000 0.244 449 G HA3 -0.297 3.664 3.960 0.001 0.000 0.244 449 G C 0.049 174.929 174.900 -0.034 0.000 0.982 449 G CA 0.191 45.167 45.100 -0.206 0.000 0.641 449 G HN 0.393 nan 8.290 nan 0.000 0.527 450 Y N -2.861 117.411 120.300 -0.047 0.000 2.713 450 Y HA 0.659 5.210 4.550 0.001 0.000 0.335 450 Y C -0.580 175.444 175.900 0.207 0.000 1.222 450 Y CA -1.656 56.528 58.100 0.140 0.000 1.061 450 Y CB 0.888 39.385 38.460 0.062 0.000 1.314 450 Y HN 0.392 nan 8.280 nan 0.000 0.453 451 V N 3.252 123.380 119.914 0.356 0.000 2.348 451 V HA 0.381 4.502 4.120 0.001 0.000 0.270 451 V C -2.252 173.920 176.094 0.129 0.000 1.037 451 V CA -1.941 60.452 62.300 0.154 0.000 0.872 451 V CB 0.693 32.597 31.823 0.135 0.000 1.002 451 V HN 0.571 nan 8.190 nan 0.000 0.464 452 P HA -0.065 nan 4.420 nan 0.000 0.266 452 P C 0.165 177.469 177.300 0.006 0.000 1.193 452 P CA 0.271 63.392 63.100 0.035 0.000 0.770 452 P CB 0.390 31.936 31.700 -0.256 0.000 0.836 453 Y N 2.682 122.956 120.300 -0.044 0.000 2.516 453 Y HA -0.082 4.468 4.550 0.001 0.000 0.291 453 Y C 0.843 176.690 175.900 -0.089 0.000 1.131 453 Y CA 1.181 59.227 58.100 -0.089 0.000 1.281 453 Y CB 0.047 38.458 38.460 -0.081 0.000 1.013 453 Y HN 0.277 nan 8.280 nan 0.000 0.554 454 D N -0.249 120.130 120.400 -0.034 0.000 2.696 454 D HA 0.053 4.694 4.640 0.001 0.000 0.269 454 D C 0.275 176.500 176.300 -0.124 0.000 1.319 454 D CA 0.375 54.334 54.000 -0.069 0.000 0.826 454 D CB -0.499 40.333 40.800 0.054 0.000 1.086 454 D HN 0.215 nan 8.370 nan 0.000 0.481 455 V N -4.604 115.184 119.914 -0.211 0.000 2.988 455 V HA 0.623 4.744 4.120 0.001 0.000 0.356 455 V C 0.958 176.956 176.094 -0.160 0.000 1.380 455 V CA 0.038 62.203 62.300 -0.224 0.000 1.184 455 V CB -0.391 31.115 31.823 -0.528 0.000 1.204 455 V HN 0.305 nan 8.190 nan 0.000 0.530 456 K N -0.097 120.218 120.400 -0.141 0.000 3.281 456 K HA -0.189 4.132 4.320 0.001 0.000 0.295 456 K C -0.167 176.379 176.600 -0.092 0.000 1.233 456 K CA 1.948 58.176 56.287 -0.099 0.000 0.866 456 K CB -2.934 29.536 32.500 -0.050 0.000 1.265 456 K HN 0.890 nan 8.250 nan 0.000 0.482 457 I N 1.559 122.049 120.570 -0.134 0.000 2.411 457 I HA 0.301 4.472 4.170 0.001 0.000 0.284 457 I C -0.141 175.895 176.117 -0.134 0.000 1.012 457 I CA -1.223 60.017 61.300 -0.100 0.000 1.119 457 I CB 1.748 39.699 38.000 -0.082 0.000 1.261 457 I HN 0.242 nan 8.210 nan 0.000 0.448 458 N N 4.739 123.380 118.700 -0.099 0.000 2.525 458 N HA 0.160 4.900 4.740 0.001 0.000 0.271 458 N C 0.169 175.592 175.510 -0.147 0.000 1.194 458 N CA -0.053 52.923 53.050 -0.122 0.000 0.964 458 N CB 0.660 39.131 38.487 -0.026 0.000 1.126 458 N HN 0.504 nan 8.380 nan 0.000 0.452 459 E N -0.802 119.263 120.200 -0.224 0.000 2.637 459 E HA -0.250 4.101 4.350 0.001 0.000 0.265 459 E C 0.667 177.121 176.600 -0.243 0.000 1.073 459 E CA 0.566 56.820 56.400 -0.243 0.000 0.778 459 E CB -1.385 28.222 29.700 -0.156 0.000 1.362 459 E HN 0.699 nan 8.360 nan 0.000 0.413 460 N N 0.009 118.573 118.700 -0.228 0.000 2.104 460 N HA -0.258 4.483 4.740 0.001 0.000 0.190 460 N C 1.828 177.229 175.510 -0.180 0.000 1.024 460 N CA 1.640 54.591 53.050 -0.165 0.000 0.853 460 N CB -0.222 38.195 38.487 -0.116 0.000 1.008 460 N HN 0.305 nan 8.380 nan 0.000 0.424 461 A N 1.353 123.981 122.820 -0.319 0.000 1.898 461 A HA 0.232 4.553 4.320 0.001 0.000 0.216 461 A C 2.566 180.002 177.584 -0.246 0.000 1.181 461 A CA 1.614 53.454 52.037 -0.328 0.000 0.620 461 A CB -0.806 17.748 19.000 -0.744 0.000 0.819 461 A HN 0.476 nan 8.150 nan 0.000 0.442 462 A N -0.054 122.528 122.820 -0.396 0.000 1.902 462 A HA -0.146 4.175 4.320 0.001 0.000 0.217 462 A C 2.248 179.741 177.584 -0.152 0.000 1.181 462 A CA 1.463 53.244 52.037 -0.427 0.000 0.623 462 A CB -0.439 18.187 19.000 -0.622 0.000 0.818 462 A HN 0.548 nan 8.150 nan 0.000 0.443 463 R N -0.890 119.459 120.500 -0.251 0.000 2.073 463 R HA -0.085 4.256 4.340 0.001 0.000 0.234 463 R C 2.334 178.243 176.300 -0.651 0.000 1.134 463 R CA 1.847 57.627 56.100 -0.534 0.000 0.952 463 R CB -0.907 29.053 30.300 -0.566 0.000 0.850 463 R HN 0.525 nan 8.270 nan 0.000 0.433 464 T N 2.010 116.426 114.554 -0.230 0.000 2.652 464 T HA -0.153 4.197 4.350 0.001 0.000 0.267 464 T C 1.973 176.821 174.700 0.245 0.000 1.039 464 T CA 1.332 63.503 62.100 0.118 0.000 1.153 464 T CB -0.332 68.700 68.868 0.273 0.000 0.863 464 T HN 0.108 nan 8.240 nan 0.000 0.428 465 L N 0.674 122.037 121.223 0.233 0.000 1.990 465 L HA -0.182 4.159 4.340 0.001 0.000 0.213 465 L C 2.824 179.935 176.870 0.402 0.000 1.072 465 L CA 1.671 56.724 54.840 0.357 0.000 0.755 465 L CB -0.605 41.677 42.059 0.372 0.000 0.889 465 L HN 0.362 nan 8.230 nan 0.000 0.432 466 E N -1.115 119.283 120.200 0.330 0.000 2.106 466 E HA -0.202 4.149 4.350 0.001 0.000 0.192 466 E C 2.204 179.003 176.600 0.331 0.000 0.984 466 E CA 0.916 57.540 56.400 0.373 0.000 0.806 466 E CB -0.097 29.814 29.700 0.352 0.000 0.750 466 E HN 0.418 nan 8.360 nan 0.000 0.458 467 Y N 0.881 121.253 120.300 0.120 0.000 2.165 467 Y HA -0.195 4.355 4.550 0.001 0.000 0.286 467 Y C 2.444 178.421 175.900 0.129 0.000 1.155 467 Y CA 0.670 58.741 58.100 -0.047 0.000 1.164 467 Y CB -1.175 36.973 38.460 -0.520 0.000 0.978 467 Y HN 0.036 nan 8.280 nan 0.000 0.513 468 A N -0.361 122.751 122.820 0.488 0.000 1.865 468 A HA -0.286 4.034 4.320 0.001 0.000 0.217 468 A C 2.194 179.937 177.584 0.265 0.000 1.191 468 A CA 1.895 54.234 52.037 0.504 0.000 0.623 468 A CB -1.533 17.847 19.000 0.633 0.000 0.826 468 A HN 0.530 nan 8.150 nan 0.000 0.444 469 Y N 1.351 121.716 120.300 0.107 0.000 2.181 469 Y HA -0.201 4.350 4.550 0.001 0.000 0.288 469 Y C 1.805 177.650 175.900 -0.092 0.000 1.146 469 Y CA 1.788 59.759 58.100 -0.214 0.000 1.164 469 Y CB -0.368 38.163 38.460 0.118 0.000 0.982 469 Y HN 0.359 nan 8.280 nan 0.000 0.515 470 D N 0.473 120.726 120.400 -0.246 0.000 2.104 470 D HA -0.206 4.434 4.640 0.001 0.000 0.194 470 D C 1.733 177.888 176.300 -0.241 0.000 0.994 470 D CA 1.789 55.579 54.000 -0.350 0.000 0.830 470 D CB -0.450 40.267 40.800 -0.138 0.000 0.959 470 D HN 0.470 nan 8.370 nan 0.000 0.452 471 D N -0.349 120.041 120.400 -0.017 0.000 2.182 471 D HA -0.154 4.487 4.640 0.001 0.000 0.201 471 D C 1.896 178.222 176.300 0.043 0.000 0.986 471 D CA 0.463 54.535 54.000 0.119 0.000 0.847 471 D CB -0.397 40.626 40.800 0.371 0.000 0.942 471 D HN 0.368 nan 8.370 nan 0.000 0.467 472 W N 1.395 122.538 121.300 -0.261 0.000 2.358 472 W HA -0.258 4.403 4.660 0.001 0.000 0.303 472 W C 2.298 178.668 176.519 -0.248 0.000 1.208 472 W CA 1.127 58.274 57.345 -0.330 0.000 1.274 472 W CB -0.465 28.660 29.460 -0.560 0.000 1.138 472 W HN -0.047 nan 8.180 nan 0.000 0.515 473 C N 0.314 119.447 119.300 -0.279 0.000 2.413 473 C HA -0.212 4.248 4.460 0.001 0.000 0.276 473 C C 2.714 177.392 174.990 -0.519 0.000 1.248 473 C CA 1.315 60.048 59.018 -0.474 0.000 1.742 473 C CB -1.491 25.965 27.740 -0.473 0.000 2.017 473 C HN 0.370 nan 8.230 nan 0.000 0.481 474 I N -0.179 120.100 120.570 -0.485 0.000 2.202 474 I HA -0.234 3.937 4.170 0.001 0.000 0.242 474 I C 2.506 178.312 176.117 -0.518 0.000 1.091 474 I CA 1.886 62.819 61.300 -0.613 0.000 1.368 474 I CB -0.682 36.734 38.000 -0.973 0.000 1.058 474 I HN 0.419 nan 8.210 nan 0.000 0.410 475 Y N 2.252 122.266 120.300 -0.476 0.000 2.114 475 Y HA -0.306 4.244 4.550 0.001 0.000 0.282 475 Y C 2.697 178.362 175.900 -0.393 0.000 1.165 475 Y CA 1.588 59.513 58.100 -0.291 0.000 1.148 475 Y CB -0.253 38.075 38.460 -0.220 0.000 0.972 475 Y HN -0.022 nan 8.280 nan 0.000 0.504 476 R N 0.130 120.169 120.500 -0.769 0.000 2.091 476 R HA -0.169 4.172 4.340 0.001 0.000 0.238 476 R C 2.263 178.203 176.300 -0.601 0.000 1.136 476 R CA 1.603 57.192 56.100 -0.852 0.000 0.959 476 R CB -1.251 28.463 30.300 -0.977 0.000 0.856 476 R HN 0.467 nan 8.270 nan 0.000 0.437 477 L N 0.807 121.730 121.223 -0.501 0.000 2.072 477 L HA 0.014 4.354 4.340 0.001 0.000 0.205 477 L C 2.299 178.947 176.870 -0.370 0.000 1.079 477 L CA 1.855 56.447 54.840 -0.413 0.000 0.752 477 L CB -0.688 41.139 42.059 -0.388 0.000 0.906 477 L HN 0.131 nan 8.230 nan 0.000 0.436 478 A N -0.502 122.134 122.820 -0.307 0.000 1.908 478 A HA -0.287 4.033 4.320 0.001 0.000 0.218 478 A C 2.436 179.839 177.584 -0.302 0.000 1.181 478 A CA 2.122 54.015 52.037 -0.239 0.000 0.627 478 A CB -0.615 18.346 19.000 -0.065 0.000 0.818 478 A HN 0.488 nan 8.150 nan 0.000 0.445 479 K N -0.509 119.657 120.400 -0.391 0.000 2.026 479 K HA -0.205 4.116 4.320 0.001 0.000 0.208 479 K C 2.078 178.521 176.600 -0.261 0.000 1.048 479 K CA 1.673 57.749 56.287 -0.350 0.000 0.929 479 K CB -0.143 32.044 32.500 -0.522 0.000 0.713 479 K HN 0.462 nan 8.250 nan 0.000 0.439 480 E N 0.339 120.373 120.200 -0.277 0.000 2.097 480 E HA -0.191 4.160 4.350 0.001 0.000 0.196 480 E C 1.385 177.876 176.600 -0.182 0.000 1.000 480 E CA 1.297 57.582 56.400 -0.191 0.000 0.804 480 E CB -0.108 29.491 29.700 -0.169 0.000 0.740 480 E HN 0.172 nan 8.360 nan 0.000 0.454 481 L N 0.918 121.983 121.223 -0.264 0.000 2.552 481 L HA 0.129 4.469 4.340 0.001 0.000 0.227 481 L C 0.499 177.237 176.870 -0.221 0.000 1.146 481 L CA 0.993 55.667 54.840 -0.275 0.000 0.858 481 L CB -0.735 41.056 42.059 -0.447 0.000 0.969 481 L HN 0.163 nan 8.230 nan 0.000 0.451 482 K N 0.041 120.327 120.400 -0.189 0.000 3.096 482 K HA -0.189 4.132 4.320 0.001 0.000 0.266 482 K C 0.025 176.537 176.600 -0.146 0.000 1.043 482 K CA 0.183 56.386 56.287 -0.139 0.000 0.758 482 K CB -0.816 31.622 32.500 -0.103 0.000 1.260 482 K HN 0.225 nan 8.250 nan 0.000 0.481 483 R N -0.129 120.260 120.500 -0.186 0.000 2.801 483 R HA 0.152 4.492 4.340 0.001 0.000 0.273 483 R C -2.162 174.096 176.300 -0.070 0.000 1.080 483 R CA -1.660 54.342 56.100 -0.163 0.000 1.197 483 R CB -0.515 29.662 30.300 -0.206 0.000 1.109 483 R HN -0.012 nan 8.270 nan 0.000 0.535 484 P HA 0.025 nan 4.420 nan 0.000 0.266 484 P C 0.318 177.630 177.300 0.020 0.000 1.195 484 P CA 0.171 63.268 63.100 -0.005 0.000 0.768 484 P CB 0.442 32.146 31.700 0.008 0.000 0.838 485 K N 2.408 122.820 120.400 0.020 0.000 2.113 485 K HA -0.237 4.084 4.320 0.001 0.000 0.208 485 K C 1.778 178.411 176.600 0.055 0.000 1.047 485 K CA 1.670 57.980 56.287 0.039 0.000 0.928 485 K CB -0.173 32.346 32.500 0.031 0.000 0.716 485 K HN 0.368 nan 8.250 nan 0.000 0.446 486 K N 1.587 122.011 120.400 0.040 0.000 2.063 486 K HA -0.182 4.139 4.320 0.001 0.000 0.208 486 K C 1.957 178.587 176.600 0.050 0.000 1.048 486 K CA 1.498 57.806 56.287 0.034 0.000 0.928 486 K CB 0.084 32.595 32.500 0.018 0.000 0.713 486 K HN 0.141 nan 8.250 nan 0.000 0.442 487 E N 0.102 120.351 120.200 0.082 0.000 2.031 487 E HA -0.184 4.166 4.350 0.001 0.000 0.193 487 E C 1.997 178.744 176.600 0.246 0.000 0.994 487 E CA 1.618 58.112 56.400 0.158 0.000 0.800 487 E CB -0.102 29.721 29.700 0.205 0.000 0.752 487 E HN 0.307 nan 8.360 nan 0.000 0.447 488 I N 0.769 121.460 120.570 0.200 0.000 2.208 488 I HA -0.293 3.877 4.170 0.001 0.000 0.245 488 I C 2.396 178.707 176.117 0.323 0.000 1.097 488 I CA 0.960 62.406 61.300 0.243 0.000 1.363 488 I CB -0.207 37.867 38.000 0.123 0.000 1.051 488 I HN 0.005 nan 8.210 nan 0.000 0.413 489 S N 0.695 116.515 115.700 0.201 0.000 2.402 489 S HA -0.126 4.345 4.470 0.001 0.000 0.229 489 S C 1.887 176.551 174.600 0.106 0.000 1.021 489 S CA 0.958 59.255 58.200 0.162 0.000 0.974 489 S CB -0.357 62.897 63.200 0.091 0.000 0.800 489 S HN 0.318 nan 8.310 nan 0.000 0.484 490 L N 0.816 122.055 121.223 0.027 0.000 2.017 490 L HA 0.032 4.372 4.340 0.001 0.000 0.208 490 L C 1.711 178.466 176.870 -0.193 0.000 1.073 490 L CA 1.840 56.589 54.840 -0.152 0.000 0.745 490 L CB -0.657 41.203 42.059 -0.331 0.000 0.894 490 L HN 0.193 nan 8.230 nan 0.000 0.432 491 F N -0.438 119.585 119.950 0.121 0.000 2.293 491 F HA 0.080 4.607 4.527 0.001 0.000 0.297 491 F C 2.468 178.339 175.800 0.118 0.000 1.089 491 F CA 0.848 58.921 58.000 0.123 0.000 1.377 491 F CB -1.128 37.941 39.000 0.115 0.000 1.051 491 F HN 0.156 nan 8.300 nan 0.000 0.511 492 A N 0.130 123.131 122.820 0.302 0.000 1.908 492 A HA -0.244 4.077 4.320 0.001 0.000 0.218 492 A C 2.344 180.064 177.584 0.227 0.000 1.181 492 A CA 1.889 53.998 52.037 0.120 0.000 0.627 492 A CB -0.684 18.430 19.000 0.190 0.000 0.818 492 A HN 0.314 nan 8.150 nan 0.000 0.445 493 K N -0.467 120.021 120.400 0.146 0.000 2.025 493 K HA -0.119 4.202 4.320 0.001 0.000 0.207 493 K C 2.252 178.916 176.600 0.108 0.000 1.049 493 K CA 1.361 57.705 56.287 0.095 0.000 0.933 493 K CB -0.201 32.310 32.500 0.020 0.000 0.714 493 K HN 0.425 nan 8.250 nan 0.000 0.438 494 R N -0.029 120.533 120.500 0.103 0.000 2.115 494 R HA -0.037 4.304 4.340 0.001 0.000 0.230 494 R C 2.244 178.707 176.300 0.271 0.000 1.111 494 R CA 0.963 57.144 56.100 0.135 0.000 0.976 494 R CB -0.240 30.156 30.300 0.160 0.000 0.870 494 R HN 0.246 nan 8.270 nan 0.000 0.445 495 A N 0.469 123.474 122.820 0.307 0.000 2.076 495 A HA -0.140 4.180 4.320 0.001 0.000 0.220 495 A C 1.780 179.713 177.584 0.581 0.000 1.160 495 A CA 1.171 53.455 52.037 0.412 0.000 0.653 495 A CB -0.170 18.978 19.000 0.246 0.000 0.801 495 A HN 0.119 nan 8.150 nan 0.000 0.455 496 M N 0.282 120.095 119.600 0.356 0.000 2.595 496 M HA 0.055 4.536 4.480 0.001 0.000 0.248 496 M C 1.080 177.290 176.300 -0.149 0.000 1.119 496 M CA 0.123 55.474 55.300 0.085 0.000 1.079 496 M CB -1.245 31.367 32.600 0.020 0.000 1.472 496 M HN 0.368 nan 8.290 nan 0.000 0.501 497 N N 0.341 119.096 118.700 0.090 0.000 2.348 497 N HA -0.195 4.546 4.740 0.001 0.000 0.185 497 N C 1.568 177.147 175.510 0.115 0.000 1.019 497 N CA 1.126 54.226 53.050 0.083 0.000 0.880 497 N CB -0.418 38.167 38.487 0.164 0.000 0.965 497 N HN 0.630 nan 8.380 nan 0.000 0.437 498 Y N 0.941 121.400 120.300 0.264 0.000 2.298 498 Y HA -0.083 4.468 4.550 0.001 0.000 0.287 498 Y C 1.814 177.818 175.900 0.172 0.000 1.164 498 Y CA 0.999 59.237 58.100 0.230 0.000 1.229 498 Y CB -0.537 38.058 38.460 0.225 0.000 0.977 498 Y HN -0.105 nan 8.280 nan 0.000 0.538 499 K N 0.636 120.782 120.400 -0.424 0.000 2.209 499 K HA -0.122 4.199 4.320 0.001 0.000 0.204 499 K C 1.348 177.961 176.600 0.022 0.000 1.048 499 K CA 1.182 57.349 56.287 -0.201 0.000 0.940 499 K CB -0.279 32.013 32.500 -0.348 0.000 0.729 499 K HN 0.456 nan 8.250 nan 0.000 0.451 500 N N 0.900 119.607 118.700 0.012 0.000 2.453 500 N HA -0.098 4.642 4.740 0.001 0.000 0.183 500 N C 1.205 176.695 175.510 -0.033 0.000 1.041 500 N CA 0.907 53.950 53.050 -0.010 0.000 0.900 500 N CB 0.141 38.655 38.487 0.046 0.000 0.961 500 N HN 0.238 nan 8.380 nan 0.000 0.443 501 L N -0.547 120.751 121.223 0.125 0.000 2.808 501 L HA 0.273 4.613 4.340 0.001 0.000 0.246 501 L C -0.056 176.948 176.870 0.222 0.000 1.153 501 L CA -0.364 54.590 54.840 0.189 0.000 0.956 501 L CB 0.062 42.199 42.059 0.130 0.000 1.270 501 L HN -0.052 nan 8.230 nan 0.000 0.528 502 F N 1.873 121.884 119.950 0.101 0.000 2.438 502 F HA 0.211 4.739 4.527 0.001 0.000 0.356 502 F C 0.410 176.100 175.800 -0.183 0.000 1.099 502 F CA -0.661 57.311 58.000 -0.047 0.000 1.185 502 F CB 0.670 39.671 39.000 0.002 0.000 1.115 502 F HN -0.091 nan 8.300 nan 0.000 0.526 503 D N 6.414 126.174 120.400 -1.067 0.000 2.373 503 D HA 0.155 4.795 4.640 0.001 0.000 0.227 503 D C 0.594 176.420 176.300 -0.790 0.000 1.091 503 D CA -0.308 53.059 54.000 -1.054 0.000 0.840 503 D CB 1.128 41.134 40.800 -1.323 0.000 1.060 503 D HN 0.549 nan 8.370 nan 0.000 0.502 504 K N 3.123 123.380 120.400 -0.238 0.000 2.097 504 K HA -0.183 4.137 4.320 0.001 0.000 0.206 504 K C 1.636 178.175 176.600 -0.101 0.000 1.049 504 K CA 1.207 57.508 56.287 0.024 0.000 0.933 504 K CB 0.076 32.645 32.500 0.114 0.000 0.717 504 K HN 0.719 nan 8.250 nan 0.000 0.442 505 E N 1.382 121.479 120.200 -0.171 0.000 2.028 505 E HA -0.150 4.200 4.350 0.001 0.000 0.191 505 E C 1.845 178.349 176.600 -0.161 0.000 0.988 505 E CA 1.874 58.196 56.400 -0.130 0.000 0.799 505 E CB -0.156 29.471 29.700 -0.122 0.000 0.755 505 E HN 0.210 nan 8.360 nan 0.000 0.447 506 S N 0.355 115.895 115.700 -0.267 0.000 2.436 506 S HA 0.046 4.517 4.470 0.001 0.000 0.228 506 S C 0.868 175.260 174.600 -0.346 0.000 1.014 506 S CA 0.622 58.674 58.200 -0.245 0.000 0.950 506 S CB -0.071 63.020 63.200 -0.181 0.000 0.784 506 S HN 0.343 nan 8.310 nan 0.000 0.504 507 K N 0.248 120.351 120.400 -0.494 0.000 3.291 507 K HA -0.104 4.217 4.320 0.001 0.000 0.290 507 K C -0.936 175.224 176.600 -0.732 0.000 1.235 507 K CA 0.518 56.505 56.287 -0.499 0.000 0.848 507 K CB -1.856 30.551 32.500 -0.155 0.000 1.295 507 K HN 0.447 nan 8.250 nan 0.000 0.497 508 L N 0.227 120.914 121.223 -0.894 0.000 2.350 508 L HA 0.520 4.861 4.340 0.001 0.000 0.260 508 L C 0.413 176.857 176.870 -0.709 0.000 1.015 508 L CA -1.426 52.959 54.840 -0.759 0.000 0.821 508 L CB 1.348 43.029 42.059 -0.630 0.000 1.370 508 L HN -0.115 nan 8.230 nan 0.000 0.416 509 M N 1.957 121.307 119.600 -0.417 0.000 2.245 509 M HA 0.283 4.764 4.480 0.001 0.000 0.344 509 M C -0.239 175.999 176.300 -0.103 0.000 1.170 509 M CA 0.608 55.806 55.300 -0.170 0.000 1.135 509 M CB 0.321 32.961 32.600 0.067 0.000 1.574 509 M HN 0.538 nan 8.290 nan 0.000 0.452 510 R N 0.441 120.830 120.500 -0.186 0.000 2.594 510 R HA 0.521 4.861 4.340 0.001 0.000 0.265 510 R C -0.399 175.790 176.300 -0.184 0.000 1.070 510 R CA -0.494 55.399 56.100 -0.345 0.000 0.909 510 R CB 1.312 30.927 30.300 -1.141 0.000 1.243 510 R HN 0.878 nan 8.270 nan 0.000 0.455 511 G N 2.809 111.475 108.800 -0.223 0.000 2.353 511 G HA2 0.100 4.060 3.960 0.001 0.000 0.239 511 G HA3 0.100 4.060 3.960 0.001 0.000 0.239 511 G C -0.692 174.133 174.900 -0.123 0.000 1.295 511 G CA -0.155 44.841 45.100 -0.173 0.000 0.884 511 G HN 0.548 nan 8.290 nan 0.000 0.537 512 R N 1.591 122.046 120.500 -0.074 0.000 2.621 512 R HA 0.213 4.553 4.340 0.001 0.000 0.292 512 R C -0.402 175.904 176.300 0.011 0.000 0.969 512 R CA -0.878 55.086 56.100 -0.226 0.000 0.887 512 R CB 1.067 30.910 30.300 -0.762 0.000 1.180 512 R HN 0.593 nan 8.270 nan 0.000 0.450 513 N N 1.563 120.256 118.700 -0.012 0.000 2.445 513 N HA -0.043 4.698 4.740 0.001 0.000 0.264 513 N C 0.592 176.188 175.510 0.144 0.000 1.227 513 N CA -0.063 53.038 53.050 0.086 0.000 0.963 513 N CB 1.135 39.642 38.487 0.033 0.000 1.188 513 N HN 0.704 nan 8.380 nan 0.000 0.491 514 E N 0.327 120.576 120.200 0.083 0.000 2.204 514 E HA -0.207 4.143 4.350 0.001 0.000 0.195 514 E C 0.276 176.916 176.600 0.066 0.000 0.990 514 E CA 1.086 57.518 56.400 0.053 0.000 0.821 514 E CB 0.097 29.801 29.700 0.007 0.000 0.750 514 E HN 0.564 nan 8.360 nan 0.000 0.477 515 D N -1.244 119.183 120.400 0.044 0.000 2.363 515 D HA 0.008 4.649 4.640 0.001 0.000 0.226 515 D C 1.295 177.599 176.300 0.007 0.000 1.020 515 D CA 0.944 54.956 54.000 0.020 0.000 0.892 515 D CB 0.267 41.070 40.800 0.004 0.000 0.900 515 D HN 0.318 nan 8.370 nan 0.000 0.531 516 G N -0.276 108.538 108.800 0.024 0.000 2.213 516 G HA2 -0.250 3.711 3.960 0.001 0.000 0.236 516 G HA3 -0.250 3.711 3.960 0.001 0.000 0.236 516 G C 0.457 175.211 174.900 -0.243 0.000 0.991 516 G CA 0.276 45.338 45.100 -0.064 0.000 0.629 516 G HN 0.706 nan 8.290 nan 0.000 0.517 517 T N 0.238 114.687 114.554 -0.175 0.000 2.884 517 T HA 0.611 4.961 4.350 0.001 0.000 0.298 517 T C 0.358 174.899 174.700 -0.265 0.000 0.998 517 T CA -0.547 61.437 62.100 -0.193 0.000 1.124 517 T CB 1.507 70.325 68.868 -0.084 0.000 0.931 517 T HN 0.219 nan 8.240 nan 0.000 0.531 518 F N 2.057 121.889 119.950 -0.197 0.000 2.496 518 F HA 0.176 4.704 4.527 0.001 0.000 0.344 518 F C 1.272 176.906 175.800 -0.278 0.000 1.155 518 F CA -0.365 57.462 58.000 -0.288 0.000 1.302 518 F CB 0.544 39.336 39.000 -0.346 0.000 1.159 518 F HN 0.605 nan 8.300 nan 0.000 0.595 519 Q N 2.265 121.976 119.800 -0.148 0.000 2.352 519 Q HA 0.244 4.585 4.340 0.001 0.000 0.260 519 Q C -0.972 174.914 176.000 -0.190 0.000 0.976 519 Q CA 0.115 55.745 55.803 -0.288 0.000 0.881 519 Q CB 1.172 29.424 28.738 -0.811 0.000 1.235 519 Q HN 0.727 nan 8.270 nan 0.000 0.419 520 S N 2.719 118.355 115.700 -0.106 0.000 2.715 520 S HA 0.606 5.077 4.470 0.001 0.000 0.307 520 S C -2.490 172.112 174.600 0.003 0.000 1.119 520 S CA -0.999 57.185 58.200 -0.026 0.000 0.937 520 S CB 1.219 64.415 63.200 -0.007 0.000 1.150 520 S HN 0.815 nan 8.310 nan 0.000 0.521 521 P HA -0.110 nan 4.420 nan 0.000 0.265 521 P C -1.244 176.119 177.300 0.105 0.000 1.151 521 P CA 0.250 63.384 63.100 0.056 0.000 0.755 521 P CB -0.000 31.726 31.700 0.044 0.000 0.756 522 F N 2.669 122.570 119.950 -0.081 0.000 2.385 522 F HA 0.348 4.876 4.527 0.001 0.000 0.360 522 F C -0.374 175.392 175.800 -0.058 0.000 1.122 522 F CA -1.180 56.757 58.000 -0.105 0.000 1.090 522 F CB 0.954 39.863 39.000 -0.153 0.000 1.150 522 F HN 0.175 nan 8.300 nan 0.000 0.472 523 S N 8.816 124.303 115.700 -0.355 0.000 2.532 523 S HA 0.281 4.752 4.470 0.001 0.000 0.318 523 S C -2.000 172.229 174.600 -0.619 0.000 1.083 523 S CA -0.997 56.959 58.200 -0.406 0.000 1.131 523 S CB 1.303 64.445 63.200 -0.097 0.000 0.973 523 S HN 0.472 nan 8.310 nan 0.000 0.468 524 P HA -0.003 nan 4.420 nan 0.000 0.220 524 P C 0.643 177.834 177.300 -0.180 0.000 1.148 524 P CA 0.822 63.518 63.100 -0.674 0.000 0.803 524 P CB 0.104 31.491 31.700 -0.523 0.000 0.782 525 L N -1.624 119.572 121.223 -0.044 0.000 2.611 525 L HA 0.134 4.475 4.340 0.001 0.000 0.229 525 L C 1.166 178.182 176.870 0.243 0.000 1.137 525 L CA -0.150 54.763 54.840 0.122 0.000 0.901 525 L CB -0.301 41.838 42.059 0.133 0.000 1.098 525 L HN -0.088 nan 8.230 nan 0.000 0.456 526 K N 0.419 120.921 120.400 0.169 0.000 2.276 526 K HA 0.091 4.411 4.320 0.001 0.000 0.283 526 K C -1.112 175.730 176.600 0.403 0.000 1.044 526 K CA -0.548 55.926 56.287 0.313 0.000 0.944 526 K CB 0.655 33.281 32.500 0.209 0.000 1.012 526 K HN -0.124 nan 8.250 nan 0.000 0.472 527 W N 2.942 124.398 121.300 0.260 0.000 2.381 527 W HA 0.427 5.088 4.660 0.001 0.000 0.329 527 W C 0.826 177.510 176.519 0.276 0.000 1.157 527 W CA 0.926 58.467 57.345 0.327 0.000 1.240 527 W CB 0.973 30.677 29.460 0.406 0.000 1.199 527 W HN 0.994 nan 8.180 nan 0.000 0.579 528 G N 1.881 110.917 108.800 0.393 0.000 2.593 528 G HA2 -0.197 3.763 3.960 0.001 0.000 0.237 528 G HA3 -0.197 3.763 3.960 0.001 0.000 0.237 528 G C 0.354 174.911 174.900 -0.573 0.000 1.312 528 G CA 0.565 45.553 45.100 -0.188 0.000 0.896 528 G HN 0.715 nan 8.290 nan 0.000 0.574 529 D N -2.736 116.743 120.400 -1.535 0.000 4.529 529 D HA -0.217 4.423 4.640 0.001 0.000 0.151 529 D C 2.207 178.234 176.300 -0.455 0.000 0.685 529 D CA 3.995 57.483 54.000 -0.854 0.000 1.198 529 D CB -1.578 39.034 40.800 -0.313 0.000 0.658 529 D HN 1.833 nan 8.370 nan 0.000 0.542 530 A N -0.190 122.448 122.820 -0.304 0.000 2.015 530 A HA 0.204 4.525 4.320 0.001 0.000 0.219 530 A C 1.206 178.279 177.584 -0.852 0.000 1.163 530 A CA 1.541 53.248 52.037 -0.551 0.000 0.646 530 A CB -0.293 18.266 19.000 -0.736 0.000 0.806 530 A HN 0.254 nan 8.150 nan 0.000 0.448 531 F N -1.372 118.463 119.950 -0.191 0.000 2.671 531 F HA 0.521 5.048 4.527 0.001 0.000 0.373 531 F C 0.646 176.354 175.800 -0.154 0.000 1.122 531 F CA -0.349 57.499 58.000 -0.254 0.000 1.082 531 F CB 1.110 40.022 39.000 -0.146 0.000 1.399 531 F HN -0.130 nan 8.300 nan 0.000 0.509 532 T N -2.160 112.512 114.554 0.196 0.000 2.791 532 T HA 0.417 4.768 4.350 0.001 0.000 0.288 532 T C -0.621 174.308 174.700 0.382 0.000 0.999 532 T CA -0.601 61.636 62.100 0.229 0.000 0.952 532 T CB 0.772 69.701 68.868 0.102 0.000 0.938 532 T HN 0.683 nan 8.240 nan 0.000 0.444 533 E N 1.344 121.789 120.200 0.408 0.000 2.297 533 E HA -0.111 4.239 4.350 0.001 0.000 0.228 533 E C 0.398 177.118 176.600 0.199 0.000 1.213 533 E CA 0.870 57.515 56.400 0.408 0.000 0.712 533 E CB -1.518 28.315 29.700 0.222 0.000 1.202 533 E HN 1.238 nan 8.360 nan 0.000 0.376 534 G N 0.020 108.824 108.800 0.005 0.000 2.441 534 G HA2 0.454 4.415 3.960 0.001 0.000 0.294 534 G HA3 0.454 4.415 3.960 0.001 0.000 0.294 534 G C -1.389 173.236 174.900 -0.458 0.000 1.393 534 G CA -0.350 44.471 45.100 -0.465 0.000 0.796 534 G HN 0.151 nan 8.290 nan 0.000 0.494 535 N N -1.683 116.618 118.700 -0.665 0.000 2.890 535 N HA 0.572 5.313 4.740 0.001 0.000 0.317 535 N C 1.155 176.102 175.510 -0.938 0.000 1.355 535 N CA 0.065 52.729 53.050 -0.643 0.000 0.803 535 N CB 1.167 39.343 38.487 -0.518 0.000 1.465 535 N HN 0.463 nan 8.380 nan 0.000 0.591 536 S N -1.204 113.947 115.700 -0.914 0.000 2.402 536 S HA -0.121 4.350 4.470 0.001 0.000 0.233 536 S C 0.897 175.081 174.600 -0.693 0.000 1.030 536 S CA 1.176 58.827 58.200 -0.916 0.000 1.003 536 S CB -0.580 62.389 63.200 -0.384 0.000 0.813 536 S HN 0.560 nan 8.310 nan 0.000 0.477 537 W N 0.764 121.707 121.300 -0.596 0.000 2.421 537 W HA -0.020 4.641 4.660 0.001 0.000 0.270 537 W C 2.148 178.480 176.519 -0.311 0.000 1.233 537 W CA 1.153 58.223 57.345 -0.458 0.000 1.226 537 W CB -0.215 28.979 29.460 -0.444 0.000 1.121 537 W HN 0.588 nan 8.180 nan 0.000 0.579 538 H N -3.978 115.031 119.070 -0.102 0.000 2.418 538 H HA -0.004 4.552 4.556 0.001 0.000 0.300 538 H C 1.384 176.631 175.328 -0.136 0.000 1.041 538 H CA 1.134 57.120 56.048 -0.105 0.000 1.364 538 H CB -0.376 29.200 29.762 -0.309 0.000 1.439 538 H HN 0.043 nan 8.280 nan 0.000 0.540 539 Y N 0.859 121.024 120.300 -0.225 0.000 2.475 539 Y HA -0.112 4.438 4.550 0.001 0.000 0.289 539 Y C 2.296 178.084 175.900 -0.187 0.000 1.121 539 Y CA 0.744 58.761 58.100 -0.139 0.000 1.257 539 Y CB 0.265 38.641 38.460 -0.140 0.000 1.026 539 Y HN 0.121 nan 8.280 nan 0.000 0.555 540 T N -0.788 113.561 114.554 -0.342 0.000 2.822 540 T HA -0.251 4.099 4.350 0.001 0.000 0.270 540 T C 0.829 175.204 174.700 -0.541 0.000 1.064 540 T CA 1.713 63.492 62.100 -0.534 0.000 1.131 540 T CB -0.470 67.836 68.868 -0.937 0.000 0.858 540 T HN 0.501 nan 8.240 nan 0.000 0.483 541 W N 1.257 122.504 121.300 -0.088 0.000 3.180 541 W HA 0.279 4.940 4.660 0.001 0.000 0.254 541 W C 1.047 177.480 176.519 -0.144 0.000 1.318 541 W CA -0.534 56.745 57.345 -0.109 0.000 1.608 541 W CB -0.213 29.128 29.460 -0.198 0.000 1.124 541 W HN -0.057 nan 8.180 nan 0.000 0.694 542 S N 1.311 116.967 115.700 -0.073 0.000 4.183 542 S HA 0.226 4.696 4.470 0.001 0.000 0.195 542 S C 0.170 174.478 174.600 -0.485 0.000 1.421 542 S CA 0.033 57.972 58.200 -0.434 0.000 0.920 542 S CB -0.330 62.899 63.200 0.048 0.000 1.525 542 S HN -0.052 nan 8.310 nan 0.000 0.447 543 V N 2.996 122.521 119.914 -0.649 0.000 2.575 543 V HA 0.196 4.317 4.120 0.001 0.000 0.281 543 V C 0.332 176.121 176.094 -0.508 0.000 1.087 543 V CA -0.469 61.517 62.300 -0.524 0.000 1.193 543 V CB -0.638 30.763 31.823 -0.704 0.000 1.426 543 V HN 0.647 nan 8.190 nan 0.000 0.623 544 F N 0.487 120.305 119.950 -0.220 0.000 2.192 544 F HA -0.192 4.335 4.527 0.001 0.000 0.301 544 F C 2.504 178.156 175.800 -0.248 0.000 1.079 544 F CA 1.995 59.800 58.000 -0.326 0.000 1.303 544 F CB -0.510 38.112 39.000 -0.630 0.000 1.024 544 F HN 0.629 nan 8.300 nan 0.000 0.494 545 H N -2.148 116.799 119.070 -0.205 0.000 2.551 545 H HA 0.153 4.709 4.556 0.001 0.000 0.266 545 H C -0.137 175.105 175.328 -0.144 0.000 0.964 545 H CA 0.919 56.684 56.048 -0.471 0.000 1.180 545 H CB -0.235 28.815 29.762 -1.187 0.000 1.408 545 H HN 0.218 nan 8.280 nan 0.000 0.563 546 D N 0.325 120.386 120.400 -0.564 0.000 3.060 546 D HA 0.227 4.868 4.640 0.001 0.000 0.326 546 D C -2.079 173.987 176.300 -0.391 0.000 1.253 546 D CA -1.863 51.907 54.000 -0.383 0.000 0.737 546 D CB 0.905 41.498 40.800 -0.345 0.000 1.260 546 D HN -0.007 nan 8.370 nan 0.000 0.542 547 P HA -0.155 nan 4.420 nan 0.000 0.217 547 P C 1.386 178.495 177.300 -0.318 0.000 1.150 547 P CA 0.974 63.826 63.100 -0.414 0.000 0.832 547 P CB 0.446 31.673 31.700 -0.788 0.000 0.787 548 Q N 0.150 119.835 119.800 -0.190 0.000 2.084 548 Q HA -0.095 4.246 4.340 0.001 0.000 0.202 548 Q C 2.182 178.086 176.000 -0.159 0.000 0.978 548 Q CA 2.293 57.996 55.803 -0.167 0.000 0.844 548 Q CB -1.610 27.071 28.738 -0.095 0.000 0.898 548 Q HN 0.163 nan 8.270 nan 0.000 0.426 549 G N 0.710 109.435 108.800 -0.124 0.000 2.469 549 G HA2 -0.272 3.688 3.960 0.001 0.000 0.219 549 G HA3 -0.272 3.688 3.960 0.001 0.000 0.219 549 G C 1.332 176.194 174.900 -0.064 0.000 1.150 549 G CA 1.050 46.131 45.100 -0.032 0.000 0.763 549 G HN 0.424 nan 8.290 nan 0.000 0.561 550 L N 0.759 121.891 121.223 -0.151 0.000 2.056 550 L HA 0.127 4.468 4.340 0.001 0.000 0.207 550 L C 2.713 179.551 176.870 -0.054 0.000 1.078 550 L CA 1.194 55.971 54.840 -0.106 0.000 0.749 550 L CB -0.445 41.574 42.059 -0.067 0.000 0.901 550 L HN 0.276 nan 8.230 nan 0.000 0.433 551 I N -0.177 120.274 120.570 -0.197 0.000 2.151 551 I HA -0.352 3.819 4.170 0.001 0.000 0.243 551 I C 2.047 178.123 176.117 -0.068 0.000 1.080 551 I CA 1.576 62.745 61.300 -0.219 0.000 1.339 551 I CB -0.579 37.144 38.000 -0.462 0.000 1.039 551 I HN 0.326 nan 8.210 nan 0.000 0.409 552 D N 0.878 121.212 120.400 -0.111 0.000 2.097 552 D HA -0.141 4.500 4.640 0.001 0.000 0.195 552 D C 2.258 178.472 176.300 -0.143 0.000 0.989 552 D CA 1.329 55.271 54.000 -0.097 0.000 0.827 552 D CB -0.458 40.283 40.800 -0.097 0.000 0.966 552 D HN 0.301 nan 8.370 nan 0.000 0.456 553 L N -0.180 120.872 121.223 -0.286 0.000 2.127 553 L HA -0.104 4.236 4.340 0.001 0.000 0.211 553 L C 2.446 179.097 176.870 -0.365 0.000 1.089 553 L CA 1.008 55.493 54.840 -0.592 0.000 0.757 553 L CB -0.533 40.630 42.059 -1.493 0.000 0.899 553 L HN -0.040 nan 8.230 nan 0.000 0.434 554 M N -0.322 119.225 119.600 -0.089 0.000 2.595 554 M HA 0.162 4.643 4.480 0.001 0.000 0.248 554 M C 0.936 177.317 176.300 0.134 0.000 1.119 554 M CA 0.738 56.144 55.300 0.176 0.000 1.079 554 M CB 0.150 32.918 32.600 0.280 0.000 1.472 554 M HN 0.446 nan 8.290 nan 0.000 0.501 555 G N 1.351 110.190 108.800 0.065 0.000 2.467 555 G HA2 0.091 4.052 3.960 0.001 0.000 0.242 555 G HA3 0.091 4.052 3.960 0.001 0.000 0.242 555 G C 0.221 175.164 174.900 0.072 0.000 1.127 555 G CA -0.125 45.011 45.100 0.059 0.000 0.924 555 G HN 0.883 nan 8.290 nan 0.000 0.499 556 G N -0.368 108.466 108.800 0.057 0.000 2.730 556 G HA2 0.188 4.149 3.960 0.001 0.000 0.686 556 G HA3 0.188 4.149 3.960 0.001 0.000 0.686 556 G C 0.880 175.848 174.900 0.112 0.000 1.343 556 G CA 0.414 45.550 45.100 0.060 0.000 0.826 556 G HN 1.635 nan 8.290 nan 0.000 0.582 557 K N -0.007 120.448 120.400 0.091 0.000 2.097 557 K HA -0.067 4.253 4.320 0.001 0.000 0.206 557 K C 1.833 178.571 176.600 0.230 0.000 1.049 557 K CA 2.040 58.413 56.287 0.145 0.000 0.933 557 K CB -0.062 32.490 32.500 0.086 0.000 0.717 557 K HN 0.386 nan 8.250 nan 0.000 0.442 558 E N 1.195 121.498 120.200 0.171 0.000 2.049 558 E HA -0.132 4.219 4.350 0.001 0.000 0.198 558 E C 2.045 178.760 176.600 0.191 0.000 1.007 558 E CA 1.978 58.480 56.400 0.170 0.000 0.809 558 E CB -0.215 29.563 29.700 0.129 0.000 0.749 558 E HN 0.358 nan 8.360 nan 0.000 0.450 559 M N -1.072 118.639 119.600 0.185 0.000 2.229 559 M HA -0.050 4.430 4.480 0.001 0.000 0.264 559 M C 1.892 178.326 176.300 0.224 0.000 1.063 559 M CA 0.838 56.245 55.300 0.177 0.000 1.114 559 M CB -0.171 32.519 32.600 0.149 0.000 1.387 559 M HN 0.101 nan 8.290 nan 0.000 0.420 560 F N 0.619 120.643 119.950 0.123 0.000 2.075 560 F HA -0.202 4.325 4.527 0.001 0.000 0.297 560 F C 2.051 177.949 175.800 0.163 0.000 1.113 560 F CA 1.572 59.663 58.000 0.152 0.000 1.218 560 F CB -0.219 38.852 39.000 0.119 0.000 0.984 560 F HN -0.221 nan 8.300 nan 0.000 0.472 561 V N -0.189 119.906 119.914 0.301 0.000 2.407 561 V HA -0.312 3.809 4.120 0.001 0.000 0.248 561 V C 2.305 178.493 176.094 0.157 0.000 1.055 561 V CA 2.343 64.769 62.300 0.210 0.000 1.049 561 V CB -1.101 30.899 31.823 0.296 0.000 0.662 561 V HN 0.446 nan 8.190 nan 0.000 0.455 562 T N -0.353 114.299 114.554 0.162 0.000 2.720 562 T HA -0.289 4.062 4.350 0.001 0.000 0.268 562 T C 1.875 176.664 174.700 0.148 0.000 1.037 562 T CA 2.215 64.406 62.100 0.151 0.000 1.144 562 T CB -0.310 68.641 68.868 0.140 0.000 0.864 562 T HN 0.306 nan 8.240 nan 0.000 0.444 563 M N 0.659 120.340 119.600 0.135 0.000 2.086 563 M HA 0.026 4.507 4.480 0.001 0.000 0.261 563 M C 2.145 178.596 176.300 0.251 0.000 1.067 563 M CA 1.627 57.054 55.300 0.212 0.000 1.116 563 M CB -0.463 32.221 32.600 0.140 0.000 1.348 563 M HN 0.173 nan 8.290 nan 0.000 0.407 564 M N -0.427 119.168 119.600 -0.009 0.000 2.080 564 M HA -0.259 4.221 4.480 0.001 0.000 0.260 564 M C 1.631 177.924 176.300 -0.013 0.000 1.068 564 M CA 1.800 56.934 55.300 -0.277 0.000 1.109 564 M CB -1.057 31.115 32.600 -0.712 0.000 1.342 564 M HN 0.219 nan 8.290 nan 0.000 0.405 565 D N 0.419 120.918 120.400 0.166 0.000 2.182 565 D HA -0.108 4.532 4.640 0.001 0.000 0.201 565 D C 2.024 178.430 176.300 0.177 0.000 0.986 565 D CA 1.807 55.981 54.000 0.289 0.000 0.847 565 D CB -0.210 40.745 40.800 0.258 0.000 0.942 565 D HN 0.418 nan 8.370 nan 0.000 0.467 566 S N -0.419 115.324 115.700 0.072 0.000 2.522 566 S HA -0.023 4.448 4.470 0.001 0.000 0.227 566 S C 2.116 176.533 174.600 -0.305 0.000 0.986 566 S CA 0.101 58.265 58.200 -0.061 0.000 0.929 566 S CB -0.146 63.038 63.200 -0.027 0.000 0.769 566 S HN 0.035 nan 8.310 nan 0.000 0.529 567 V N 1.049 120.774 119.914 -0.314 0.000 2.343 567 V HA -0.132 3.988 4.120 0.001 0.000 0.247 567 V C 2.044 177.788 176.094 -0.584 0.000 1.051 567 V CA 1.909 63.886 62.300 -0.538 0.000 1.036 567 V CB -0.939 30.544 31.823 -0.567 0.000 0.654 567 V HN 0.543 nan 8.190 nan 0.000 0.451 568 F N 0.244 120.006 119.950 -0.313 0.000 2.416 568 F HA 0.155 4.683 4.527 0.001 0.000 0.296 568 F C 2.307 178.025 175.800 -0.137 0.000 1.099 568 F CA 0.916 58.722 58.000 -0.324 0.000 1.427 568 F CB -0.747 37.858 39.000 -0.658 0.000 1.079 568 F HN 0.074 nan 8.300 nan 0.000 0.536 569 A N 0.262 123.117 122.820 0.058 0.000 1.970 569 A HA 0.077 4.398 4.320 0.001 0.000 0.216 569 A C 1.108 178.681 177.584 -0.018 0.000 1.170 569 A CA 0.880 52.952 52.037 0.059 0.000 0.645 569 A CB -1.006 18.030 19.000 0.061 0.000 0.816 569 A HN 0.098 nan 8.150 nan 0.000 0.447 570 V N -1.589 118.251 119.914 -0.123 0.000 2.607 570 V HA 0.478 4.598 4.120 0.001 0.000 0.289 570 V C -2.534 173.501 176.094 -0.099 0.000 1.053 570 V CA -2.545 59.670 62.300 -0.142 0.000 0.996 570 V CB 0.867 32.519 31.823 -0.285 0.000 0.995 570 V HN 0.245 nan 8.190 nan 0.000 0.476 571 P HA 0.214 nan 4.420 nan 0.000 0.269 571 P C -2.581 174.715 177.300 -0.006 0.000 1.217 571 P CA -1.386 61.708 63.100 -0.010 0.000 0.783 571 P CB -0.225 31.475 31.700 -0.001 0.000 0.898 572 P HA 0.145 nan 4.420 nan 0.000 0.218 572 P C 0.076 177.498 177.300 0.204 0.000 1.793 572 P CA -0.255 62.910 63.100 0.107 0.000 0.941 572 P CB -0.308 31.458 31.700 0.110 0.000 1.919 573 I N 2.484 123.134 120.570 0.133 0.000 2.886 573 I HA 0.506 4.677 4.170 0.001 0.000 0.299 573 I C -0.163 176.104 176.117 0.251 0.000 1.044 573 I CA -1.480 59.891 61.300 0.120 0.000 1.310 573 I CB -0.137 37.856 38.000 -0.012 0.000 1.441 573 I HN 0.107 nan 8.210 nan 0.000 0.578 574 F N 2.875 122.863 119.950 0.064 0.000 2.741 574 F HA 0.507 5.035 4.527 0.001 0.000 0.311 574 F C -1.624 174.232 175.800 0.094 0.000 1.149 574 F CA -1.182 56.898 58.000 0.133 0.000 0.930 574 F CB 1.039 40.085 39.000 0.077 0.000 1.312 574 F HN 0.357 nan 8.300 nan 0.000 0.450 575 D N 1.488 122.094 120.400 0.342 0.000 2.469 575 D HA 0.225 4.865 4.640 0.001 0.000 0.251 575 D C -0.649 175.883 176.300 0.387 0.000 1.173 575 D CA -0.379 53.754 54.000 0.222 0.000 0.882 575 D CB 1.272 42.178 40.800 0.177 0.000 1.129 575 D HN 0.699 nan 8.370 nan 0.000 0.549 576 D N 1.446 122.058 120.400 0.353 0.000 2.368 576 D HA -0.057 4.583 4.640 0.001 0.000 0.218 576 D C 1.085 177.585 176.300 0.334 0.000 1.112 576 D CA -0.114 54.117 54.000 0.386 0.000 0.834 576 D CB -0.049 40.946 40.800 0.325 0.000 0.953 576 D HN 0.220 nan 8.370 nan 0.000 0.505 577 S N -0.006 115.844 115.700 0.250 0.000 2.407 577 S HA -0.306 4.164 4.470 0.001 0.000 0.235 577 S C 1.800 176.503 174.600 0.172 0.000 1.036 577 S CA 0.783 59.089 58.200 0.177 0.000 1.013 577 S CB -1.079 62.206 63.200 0.142 0.000 0.820 577 S HN 0.491 nan 8.310 nan 0.000 0.476 578 Y N 0.902 121.237 120.300 0.058 0.000 2.561 578 Y HA 0.087 4.638 4.550 0.002 0.000 0.291 578 Y C 1.231 176.983 175.900 -0.246 0.000 1.141 578 Y CA 0.578 58.607 58.100 -0.118 0.000 1.303 578 Y CB -0.027 38.308 38.460 -0.209 0.000 1.015 578 Y HN 0.247 nan 8.280 nan 0.000 0.547 579 Y N -1.576 118.775 120.300 0.086 0.000 2.444 579 Y HA 0.330 4.881 4.550 0.001 0.000 0.252 579 Y C 2.069 177.965 175.900 -0.006 0.000 1.091 579 Y CA 0.252 58.349 58.100 -0.004 0.000 1.276 579 Y CB 0.561 39.066 38.460 0.075 0.000 1.170 579 Y HN 0.062 nan 8.280 nan 0.000 0.517 580 G N 0.566 109.464 108.800 0.163 0.000 2.328 580 G HA2 -0.291 3.670 3.960 0.001 0.000 0.256 580 G HA3 -0.291 3.670 3.960 0.001 0.000 0.256 580 G C 0.292 175.262 174.900 0.116 0.000 1.014 580 G CA 0.655 45.818 45.100 0.105 0.000 0.620 580 G HN 0.457 nan 8.290 nan 0.000 0.530 581 Q N -0.745 119.140 119.800 0.141 0.000 2.456 581 Q HA 0.666 5.006 4.340 0.001 0.000 0.283 581 Q C -0.614 175.414 176.000 0.047 0.000 1.084 581 Q CA -0.882 54.981 55.803 0.101 0.000 0.801 581 Q CB 2.102 30.903 28.738 0.105 0.000 1.434 581 Q HN 0.395 nan 8.270 nan 0.000 0.419 582 V N 3.784 123.703 119.914 0.008 0.000 2.242 582 V HA 0.082 4.202 4.120 0.001 0.000 0.242 582 V C 0.783 176.739 176.094 -0.230 0.000 1.240 582 V CA -0.124 62.093 62.300 -0.138 0.000 1.211 582 V CB -1.791 29.972 31.823 -0.099 0.000 1.338 582 V HN 0.645 nan 8.190 nan 0.000 0.499 583 I N 0.744 121.104 120.570 -0.350 0.000 3.045 583 I HA 0.090 4.261 4.170 0.001 0.000 0.288 583 I C 1.846 177.701 176.117 -0.437 0.000 1.238 583 I CA -0.008 61.052 61.300 -0.400 0.000 1.396 583 I CB 0.133 37.761 38.000 -0.620 0.000 1.355 583 I HN 0.715 nan 8.210 nan 0.000 0.601 584 H N 2.292 121.150 119.070 -0.354 0.000 2.390 584 H HA -0.181 4.375 4.556 0.001 0.000 0.298 584 H C 1.493 176.674 175.328 -0.245 0.000 1.106 584 H CA 1.680 57.575 56.048 -0.253 0.000 1.297 584 H CB -0.468 29.194 29.762 -0.166 0.000 1.375 584 H HN 0.757 nan 8.280 nan 0.000 0.509 585 E N 1.114 120.807 120.200 -0.846 0.000 2.204 585 E HA -0.103 4.248 4.350 0.001 0.000 0.194 585 E C 2.164 178.496 176.600 -0.447 0.000 0.989 585 E CA 1.106 57.208 56.400 -0.497 0.000 0.824 585 E CB -0.190 29.270 29.700 -0.400 0.000 0.756 585 E HN 0.633 nan 8.360 nan 0.000 0.477 586 I N 1.009 121.091 120.570 -0.814 0.000 2.233 586 I HA -0.196 3.974 4.170 0.001 0.000 0.243 586 I C 2.818 178.530 176.117 -0.674 0.000 1.093 586 I CA 0.850 61.472 61.300 -1.131 0.000 1.380 586 I CB -0.190 36.858 38.000 -1.586 0.000 1.067 586 I HN 0.024 nan 8.210 nan 0.000 0.413 587 R N 1.659 121.860 120.500 -0.498 0.000 2.083 587 R HA -0.214 4.126 4.340 0.001 0.000 0.237 587 R C 1.991 178.187 176.300 -0.175 0.000 1.137 587 R CA 1.824 57.752 56.100 -0.286 0.000 0.951 587 R CB -0.446 29.753 30.300 -0.168 0.000 0.851 587 R HN 0.358 nan 8.270 nan 0.000 0.434 588 E N -0.389 119.726 120.200 -0.142 0.000 2.160 588 E HA -0.245 4.106 4.350 0.001 0.000 0.195 588 E C 1.941 178.503 176.600 -0.063 0.000 0.991 588 E CA 1.609 57.969 56.400 -0.066 0.000 0.810 588 E CB -0.226 29.456 29.700 -0.030 0.000 0.742 588 E HN 0.413 nan 8.360 nan 0.000 0.466 589 M N 0.805 120.353 119.600 -0.088 0.000 2.156 589 M HA -0.149 4.332 4.480 0.001 0.000 0.264 589 M C 2.442 178.734 176.300 -0.013 0.000 1.067 589 M CA 1.926 57.209 55.300 -0.028 0.000 1.131 589 M CB -0.257 32.379 32.600 0.060 0.000 1.368 589 M HN 0.190 nan 8.290 nan 0.000 0.416 590 T N -1.145 113.375 114.554 -0.056 0.000 2.788 590 T HA -0.103 4.248 4.350 0.001 0.000 0.268 590 T C 1.529 176.239 174.700 0.016 0.000 1.044 590 T CA 1.645 63.743 62.100 -0.004 0.000 1.139 590 T CB -1.467 67.392 68.868 -0.014 0.000 0.867 590 T HN 0.429 nan 8.240 nan 0.000 0.454 591 V N -1.412 118.502 119.914 -0.001 0.000 3.041 591 V HA 0.137 4.258 4.120 0.001 0.000 0.260 591 V C 2.464 178.573 176.094 0.025 0.000 1.105 591 V CA 0.753 63.061 62.300 0.013 0.000 1.125 591 V CB -1.054 30.772 31.823 0.004 0.000 0.730 591 V HN 0.234 nan 8.190 nan 0.000 0.479 592 M N 0.737 120.354 119.600 0.029 0.000 2.419 592 M HA 0.089 4.569 4.480 0.001 0.000 0.264 592 M C 1.298 177.640 176.300 0.069 0.000 1.082 592 M CA 0.828 56.156 55.300 0.045 0.000 1.119 592 M CB -1.835 30.794 32.600 0.048 0.000 1.398 592 M HN 0.833 nan 8.290 nan 0.000 0.453 593 N N 0.766 119.508 118.700 0.070 0.000 2.738 593 N HA -0.183 4.557 4.740 0.001 0.000 0.249 593 N C -0.701 174.884 175.510 0.125 0.000 1.047 593 N CA 0.103 53.204 53.050 0.085 0.000 0.707 593 N CB -0.481 38.051 38.487 0.075 0.000 0.937 593 N HN 0.348 nan 8.380 nan 0.000 0.545 594 M N 0.866 120.547 119.600 0.135 0.000 3.200 594 M HA 0.214 4.695 4.480 0.001 0.000 0.335 594 M C 1.120 177.493 176.300 0.120 0.000 1.446 594 M CA 0.276 55.693 55.300 0.195 0.000 0.691 594 M CB 0.897 33.654 32.600 0.262 0.000 1.409 594 M HN 0.407 nan 8.290 nan 0.000 0.488 595 G N 1.871 110.714 108.800 0.072 0.000 2.634 595 G HA2 -0.319 3.641 3.960 0.001 0.000 0.309 595 G HA3 -0.319 3.641 3.960 0.001 0.000 0.309 595 G C 0.374 175.251 174.900 -0.040 0.000 1.265 595 G CA 0.330 45.417 45.100 -0.020 0.000 0.998 595 G HN 0.637 nan 8.290 nan 0.000 0.551 596 N N 0.141 118.758 118.700 -0.139 0.000 2.251 596 N HA 0.105 4.846 4.740 0.001 0.000 0.217 596 N C -0.231 175.275 175.510 -0.005 0.000 1.124 596 N CA -0.046 52.982 53.050 -0.035 0.000 0.843 596 N CB 0.256 38.651 38.487 -0.152 0.000 1.024 596 N HN 0.432 nan 8.380 nan 0.000 0.501 597 Y N 1.982 122.120 120.300 -0.269 0.000 2.616 597 Y HA 0.265 4.816 4.550 0.001 0.000 0.350 597 Y C 0.168 175.970 175.900 -0.163 0.000 1.119 597 Y CA -0.941 56.963 58.100 -0.327 0.000 1.467 597 Y CB -0.056 38.106 38.460 -0.496 0.000 1.287 597 Y HN -0.013 nan 8.280 nan 0.000 0.504 598 A N 5.945 128.408 122.820 -0.595 0.000 3.078 598 A HA 0.080 4.400 4.320 0.001 0.000 0.279 598 A C 1.344 178.542 177.584 -0.643 0.000 1.594 598 A CA -0.283 51.450 52.037 -0.506 0.000 1.301 598 A CB -0.985 17.705 19.000 -0.517 0.000 1.162 598 A HN 0.999 nan 8.150 nan 0.000 0.585 599 H N 1.802 120.396 119.070 -0.793 0.000 2.518 599 H HA -0.128 4.428 4.556 0.001 0.000 0.289 599 H C 1.856 176.932 175.328 -0.420 0.000 1.051 599 H CA 1.592 57.211 56.048 -0.715 0.000 1.280 599 H CB 0.231 29.719 29.762 -0.456 0.000 1.380 599 H HN 0.653 nan 8.280 nan 0.000 0.566 600 G N -0.020 108.623 108.800 -0.261 0.000 2.625 600 G HA2 -0.165 3.795 3.960 0.001 0.000 0.214 600 G HA3 -0.165 3.795 3.960 0.001 0.000 0.214 600 G C 0.431 175.229 174.900 -0.170 0.000 1.132 600 G CA 0.025 45.027 45.100 -0.164 0.000 0.782 600 G HN 0.265 nan 8.290 nan 0.000 0.538 601 N N -1.946 116.598 118.700 -0.261 0.000 2.405 601 N HA 0.366 5.107 4.740 0.001 0.000 0.285 601 N C 0.809 176.179 175.510 -0.235 0.000 1.262 601 N CA -0.668 52.287 53.050 -0.158 0.000 0.773 601 N CB 1.732 40.176 38.487 -0.071 0.000 1.490 601 N HN -0.195 nan 8.380 nan 0.000 0.486 602 Q N 0.421 120.149 119.800 -0.121 0.000 2.083 602 Q HA 0.107 4.448 4.340 0.001 0.000 0.198 602 Q C -1.167 174.655 176.000 -0.296 0.000 0.969 602 Q CA 1.741 57.382 55.803 -0.270 0.000 0.838 602 Q CB -0.854 27.615 28.738 -0.449 0.000 0.900 602 Q HN 0.588 nan 8.270 nan 0.000 0.436 603 P HA -0.167 nan 4.420 nan 0.000 0.216 603 P C 0.762 177.975 177.300 -0.145 0.000 1.150 603 P CA 1.204 64.118 63.100 -0.311 0.000 0.843 603 P CB 0.090 31.455 31.700 -0.558 0.000 0.787 604 I N -1.322 119.106 120.570 -0.236 0.000 3.883 604 I HA 0.015 4.186 4.170 0.001 0.000 0.326 604 I C 1.605 177.606 176.117 -0.194 0.000 1.283 604 I CA 0.292 61.449 61.300 -0.238 0.000 1.161 604 I CB -0.092 37.682 38.000 -0.378 0.000 1.012 604 I HN -0.116 nan 8.210 nan 0.000 0.421 605 Q N 0.007 119.733 119.800 -0.124 0.000 2.439 605 Q HA -0.202 4.138 4.340 0.001 0.000 0.211 605 Q C 1.606 177.788 176.000 0.303 0.000 0.978 605 Q CA 1.159 56.919 55.803 -0.071 0.000 0.897 605 Q CB -0.010 28.611 28.738 -0.195 0.000 0.956 605 Q HN 0.702 nan 8.270 nan 0.000 0.483 606 H N -1.462 117.738 119.070 0.216 0.000 2.595 606 H HA 0.134 4.691 4.556 0.001 0.000 0.265 606 H C 1.778 177.268 175.328 0.269 0.000 0.953 606 H CA 0.054 56.269 56.048 0.279 0.000 1.197 606 H CB -0.273 29.725 29.762 0.395 0.000 1.438 606 H HN 0.173 nan 8.280 nan 0.000 0.531 607 M N 1.491 120.790 119.600 -0.503 0.000 2.082 607 M HA -0.158 4.322 4.480 0.001 0.000 0.258 607 M C 1.885 178.021 176.300 -0.273 0.000 1.069 607 M CA 1.654 56.608 55.300 -0.577 0.000 1.102 607 M CB -0.294 31.899 32.600 -0.678 0.000 1.336 607 M HN 0.223 nan 8.290 nan 0.000 0.404 608 I N -0.427 120.091 120.570 -0.086 0.000 2.315 608 I HA -0.351 3.820 4.170 0.001 0.000 0.251 608 I C 1.923 178.066 176.117 0.044 0.000 1.125 608 I CA 1.624 62.906 61.300 -0.029 0.000 1.392 608 I CB -0.695 37.281 38.000 -0.039 0.000 1.065 608 I HN 0.332 nan 8.210 nan 0.000 0.424 609 Y N -0.266 120.128 120.300 0.156 0.000 2.421 609 Y HA -0.190 4.361 4.550 0.001 0.000 0.292 609 Y C 2.210 178.296 175.900 0.310 0.000 1.136 609 Y CA 0.440 58.689 58.100 0.247 0.000 1.255 609 Y CB -0.122 38.502 38.460 0.274 0.000 0.991 609 Y HN 0.096 nan 8.280 nan 0.000 0.552 610 L N -1.334 120.059 121.223 0.282 0.000 2.191 610 L HA -0.243 4.097 4.340 0.001 0.000 0.212 610 L C 1.741 178.811 176.870 0.333 0.000 1.103 610 L CA 1.443 56.433 54.840 0.250 0.000 0.769 610 L CB -1.394 40.705 42.059 0.066 0.000 0.908 610 L HN 0.260 nan 8.230 nan 0.000 0.438 611 Y N 0.189 120.623 120.300 0.224 0.000 2.228 611 Y HA -0.300 4.251 4.550 0.001 0.000 0.285 611 Y C 2.375 178.357 175.900 0.136 0.000 1.178 611 Y CA 1.530 59.716 58.100 0.144 0.000 1.202 611 Y CB -0.573 37.895 38.460 0.012 0.000 0.974 611 Y HN 0.283 nan 8.280 nan 0.000 0.527 612 D N -1.382 119.239 120.400 0.368 0.000 2.117 612 D HA -0.200 4.440 4.640 0.001 0.000 0.197 612 D C 1.824 178.228 176.300 0.174 0.000 0.987 612 D CA 1.463 55.608 54.000 0.241 0.000 0.829 612 D CB -0.620 40.327 40.800 0.246 0.000 0.961 612 D HN 0.367 nan 8.370 nan 0.000 0.460 613 Y N 0.347 120.710 120.300 0.105 0.000 2.497 613 Y HA 0.073 4.624 4.550 0.001 0.000 0.292 613 Y C 2.018 177.888 175.900 -0.051 0.000 1.137 613 Y CA 0.709 58.817 58.100 0.013 0.000 1.285 613 Y CB -0.199 38.228 38.460 -0.055 0.000 0.991 613 Y HN -0.060 nan 8.280 nan 0.000 0.556 614 A N -0.896 122.010 122.820 0.144 0.000 2.465 614 A HA 0.520 4.841 4.320 0.001 0.000 0.255 614 A C 1.778 179.413 177.584 0.086 0.000 1.274 614 A CA 0.447 52.534 52.037 0.083 0.000 0.920 614 A CB -0.708 18.415 19.000 0.204 0.000 1.033 614 A HN 0.469 nan 8.150 nan 0.000 0.516 615 G N -0.638 108.203 108.800 0.067 0.000 2.160 615 G HA2 -0.241 3.720 3.960 0.001 0.000 0.244 615 G HA3 -0.241 3.720 3.960 0.001 0.000 0.244 615 G C 0.005 174.859 174.900 -0.076 0.000 1.022 615 G CA 0.424 45.557 45.100 0.055 0.000 0.741 615 G HN 0.581 nan 8.290 nan 0.000 0.508 616 Q N -0.671 118.963 119.800 -0.277 0.000 2.805 616 Q HA 0.188 4.529 4.340 0.001 0.000 0.360 616 Q C -1.538 173.973 176.000 -0.815 0.000 0.832 616 Q CA -1.380 53.765 55.803 -1.097 0.000 1.020 616 Q CB 1.653 29.815 28.738 -0.960 0.000 1.444 616 Q HN 0.332 nan 8.270 nan 0.000 0.391 617 P HA -0.204 nan 4.420 nan 0.000 0.218 617 P C 0.807 178.135 177.300 0.047 0.000 1.146 617 P CA 1.278 64.384 63.100 0.010 0.000 0.813 617 P CB -0.142 31.661 31.700 0.173 0.000 0.778 618 W N 1.109 122.477 121.300 0.113 0.000 2.425 618 W HA 0.081 4.741 4.660 0.001 0.000 0.277 618 W C 1.824 178.437 176.519 0.157 0.000 1.231 618 W CA 0.746 58.191 57.345 0.166 0.000 1.248 618 W CB -1.425 28.041 29.460 0.010 0.000 1.117 618 W HN -0.155 nan 8.180 nan 0.000 0.568 619 K N 0.705 120.801 120.400 -0.506 0.000 2.155 619 K HA -0.014 4.306 4.320 0.001 0.000 0.203 619 K C 2.469 178.845 176.600 -0.373 0.000 1.052 619 K CA 1.340 57.297 56.287 -0.550 0.000 0.948 619 K CB -0.416 31.355 32.500 -1.214 0.000 0.728 619 K HN 0.244 nan 8.250 nan 0.000 0.448 620 A N 1.545 124.237 122.820 -0.212 0.000 1.873 620 A HA -0.231 4.090 4.320 0.001 0.000 0.215 620 A C 2.049 179.635 177.584 0.003 0.000 1.186 620 A CA 1.316 53.370 52.037 0.027 0.000 0.616 620 A CB -0.468 18.599 19.000 0.112 0.000 0.823 620 A HN 0.281 nan 8.150 nan 0.000 0.442 621 Q N -1.785 118.064 119.800 0.083 0.000 2.077 621 Q HA -0.250 4.090 4.340 0.001 0.000 0.206 621 Q C 2.034 178.016 176.000 -0.030 0.000 0.989 621 Q CA 2.093 57.955 55.803 0.099 0.000 0.853 621 Q CB -0.488 28.414 28.738 0.274 0.000 0.907 621 Q HN 0.836 nan 8.270 nan 0.000 0.418 622 Y N -0.444 119.790 120.300 -0.111 0.000 2.097 622 Y HA -0.291 4.260 4.550 0.001 0.000 0.282 622 Y C 1.614 177.138 175.900 -0.627 0.000 1.152 622 Y CA 1.794 59.648 58.100 -0.410 0.000 1.136 622 Y CB -0.385 37.873 38.460 -0.337 0.000 0.975 622 Y HN 0.145 nan 8.280 nan 0.000 0.498 623 W N -0.802 120.298 121.300 -0.334 0.000 2.418 623 W HA -0.121 4.539 4.660 0.001 0.000 0.292 623 W C 2.110 178.380 176.519 -0.416 0.000 1.213 623 W CA 0.171 57.231 57.345 -0.474 0.000 1.283 623 W CB -0.463 28.704 29.460 -0.487 0.000 1.119 623 W HN 0.081 nan 8.180 nan 0.000 0.542 624 L N 0.659 121.823 121.223 -0.098 0.000 2.012 624 L HA -0.217 4.124 4.340 0.001 0.000 0.210 624 L C 2.501 179.284 176.870 -0.146 0.000 1.073 624 L CA 1.823 56.617 54.840 -0.077 0.000 0.748 624 L CB -1.511 40.446 42.059 -0.170 0.000 0.891 624 L HN -0.036 nan 8.230 nan 0.000 0.431 625 R N -0.721 119.566 120.500 -0.354 0.000 2.092 625 R HA -0.122 4.219 4.340 0.001 0.000 0.231 625 R C 2.155 178.186 176.300 -0.448 0.000 1.119 625 R CA 1.114 56.948 56.100 -0.444 0.000 0.970 625 R CB -0.310 29.567 30.300 -0.705 0.000 0.864 625 R HN 0.364 nan 8.270 nan 0.000 0.440 626 Q N 0.025 119.484 119.800 -0.567 0.000 2.045 626 Q HA -0.147 4.194 4.340 0.001 0.000 0.206 626 Q C 2.156 178.071 176.000 -0.142 0.000 0.991 626 Q CA 2.051 57.610 55.803 -0.407 0.000 0.851 626 Q CB -0.634 27.872 28.738 -0.386 0.000 0.911 626 Q HN 0.294 nan 8.270 nan 0.000 0.418 627 V N 1.165 121.049 119.914 -0.050 0.000 2.255 627 V HA -0.291 3.829 4.120 0.001 0.000 0.247 627 V C 2.456 178.645 176.094 0.159 0.000 1.051 627 V CA 1.951 64.264 62.300 0.022 0.000 1.018 627 V CB -0.585 31.216 31.823 -0.036 0.000 0.641 627 V HN 0.360 nan 8.190 nan 0.000 0.445 628 M N -0.470 119.237 119.600 0.178 0.000 2.202 628 M HA -0.198 4.283 4.480 0.001 0.000 0.262 628 M C 1.809 178.236 176.300 0.211 0.000 1.063 628 M CA 1.714 57.163 55.300 0.249 0.000 1.097 628 M CB -0.493 32.096 32.600 -0.018 0.000 1.382 628 M HN 0.355 nan 8.290 nan 0.000 0.413 629 D N -0.365 120.056 120.400 0.035 0.000 2.183 629 D HA -0.025 4.615 4.640 0.001 0.000 0.205 629 D C 1.939 178.256 176.300 0.029 0.000 0.962 629 D CA 1.059 55.053 54.000 -0.009 0.000 0.849 629 D CB 0.069 40.798 40.800 -0.118 0.000 0.978 629 D HN 0.367 nan 8.370 nan 0.000 0.488 630 R N -0.737 119.783 120.500 0.035 0.000 2.250 630 R HA 0.263 4.604 4.340 0.001 0.000 0.194 630 R C 1.521 177.837 176.300 0.026 0.000 0.927 630 R CA 0.116 56.228 56.100 0.019 0.000 1.052 630 R CB 0.395 30.695 30.300 -0.001 0.000 1.055 630 R HN 0.059 nan 8.270 nan 0.000 0.537 631 M N -0.137 119.493 119.600 0.051 0.000 2.428 631 M HA 0.210 4.691 4.480 0.001 0.000 0.239 631 M C -0.641 175.508 176.300 -0.253 0.000 1.121 631 M CA 0.545 55.790 55.300 -0.091 0.000 1.019 631 M CB 0.285 32.774 32.600 -0.184 0.000 1.485 631 M HN -0.049 nan 8.290 nan 0.000 0.484 632 Y N 0.305 120.593 120.300 -0.019 0.000 2.386 632 Y HA 0.441 4.992 4.550 0.001 0.000 0.334 632 Y C 0.386 176.193 175.900 -0.154 0.000 1.002 632 Y CA -1.085 56.937 58.100 -0.130 0.000 1.068 632 Y CB 1.671 40.016 38.460 -0.191 0.000 1.203 632 Y HN 0.027 nan 8.280 nan 0.000 0.443 633 T N -0.450 114.060 114.554 -0.072 0.000 2.896 633 T HA 0.446 4.797 4.350 0.001 0.000 0.297 633 T C -2.699 171.927 174.700 -0.123 0.000 1.108 633 T CA -2.413 59.644 62.100 -0.072 0.000 1.004 633 T CB 2.671 71.505 68.868 -0.056 0.000 1.159 633 T HN 0.284 nan 8.240 nan 0.000 0.499 634 P HA 0.227 nan 4.420 nan 0.000 0.255 634 P C 0.892 178.153 177.300 -0.064 0.000 1.248 634 P CA 0.039 63.099 63.100 -0.067 0.000 0.807 634 P CB -0.161 31.539 31.700 -0.001 0.000 1.150 635 G N 1.652 110.401 108.800 -0.083 0.000 2.535 635 G HA2 0.226 4.186 3.960 0.001 0.000 0.282 635 G HA3 0.226 4.186 3.960 0.001 0.000 0.282 635 G C -1.674 173.140 174.900 -0.143 0.000 1.350 635 G CA -1.172 43.862 45.100 -0.111 0.000 1.039 635 G HN -0.114 nan 8.290 nan 0.000 0.509 636 P HA 0.017 nan 4.420 nan 0.000 0.222 636 P C 0.430 177.654 177.300 -0.126 0.000 1.147 636 P CA 1.126 64.054 63.100 -0.286 0.000 0.790 636 P CB 0.192 31.376 31.700 -0.859 0.000 0.780 637 D N -1.592 118.737 120.400 -0.119 0.000 2.895 637 D HA 0.137 4.777 4.640 0.001 0.000 0.258 637 D C 1.485 177.765 176.300 -0.033 0.000 1.311 637 D CA -0.498 53.483 54.000 -0.032 0.000 0.843 637 D CB -0.911 39.868 40.800 -0.034 0.000 1.055 637 D HN 0.005 nan 8.370 nan 0.000 0.486 638 G N -0.305 108.456 108.800 -0.065 0.000 2.408 638 G HA2 -0.134 3.827 3.960 0.001 0.000 0.217 638 G HA3 -0.134 3.827 3.960 0.001 0.000 0.217 638 G C 0.293 175.034 174.900 -0.265 0.000 1.150 638 G CA 0.458 45.445 45.100 -0.188 0.000 0.776 638 G HN 0.271 nan 8.290 nan 0.000 0.542 639 Y N -1.063 119.212 120.300 -0.042 0.000 2.340 639 Y HA 0.343 4.894 4.550 0.001 0.000 0.327 639 Y C 1.670 177.492 175.900 -0.129 0.000 1.321 639 Y CA -0.681 57.343 58.100 -0.127 0.000 1.433 639 Y CB 0.827 39.254 38.460 -0.056 0.000 1.373 639 Y HN 0.095 nan 8.280 nan 0.000 0.538 640 C N -1.831 117.472 119.300 0.005 0.000 3.000 640 C HA 0.852 5.313 4.460 0.001 0.000 0.286 640 C C 0.542 175.542 174.990 0.017 0.000 1.343 640 C CA 0.046 59.050 59.018 -0.023 0.000 1.742 640 C CB -1.156 26.528 27.740 -0.093 0.000 2.200 640 C HN 0.970 nan 8.230 nan 0.000 0.621 641 G N -0.234 108.602 108.800 0.061 0.000 2.342 641 G HA2 0.418 4.378 3.960 0.001 0.000 0.297 641 G HA3 0.418 4.378 3.960 0.001 0.000 0.297 641 G C -2.229 172.721 174.900 0.083 0.000 1.313 641 G CA -0.528 44.623 45.100 0.085 0.000 0.830 641 G HN 0.051 nan 8.290 nan 0.000 0.506 642 D N 0.396 120.874 120.400 0.130 0.000 2.443 642 D HA 0.169 4.810 4.640 0.001 0.000 0.239 642 D C 1.272 177.539 176.300 -0.055 0.000 1.136 642 D CA -0.197 53.857 54.000 0.091 0.000 0.879 642 D CB 1.722 42.652 40.800 0.216 0.000 1.195 642 D HN 0.428 nan 8.370 nan 0.000 0.443 643 E N 1.261 121.332 120.200 -0.215 0.000 2.107 643 E HA -0.171 4.179 4.350 0.001 0.000 0.191 643 E C -0.437 176.091 176.600 -0.120 0.000 0.982 643 E CA 0.597 56.762 56.400 -0.392 0.000 0.809 643 E CB 0.108 29.417 29.700 -0.651 0.000 0.756 643 E HN 0.392 nan 8.360 nan 0.000 0.459 644 D N 0.506 120.889 120.400 -0.028 0.000 2.828 644 D HA -0.213 4.428 4.640 0.001 0.000 0.241 644 D C -0.716 175.600 176.300 0.027 0.000 1.142 644 D CA 1.017 55.057 54.000 0.066 0.000 0.755 644 D CB -2.062 38.821 40.800 0.139 0.000 1.014 644 D HN 0.434 nan 8.370 nan 0.000 0.420 645 N N -1.014 117.644 118.700 -0.070 0.000 2.721 645 N HA -0.216 4.525 4.740 0.001 0.000 0.249 645 N C 1.142 176.722 175.510 0.117 0.000 1.072 645 N CA 1.514 54.511 53.050 -0.089 0.000 0.710 645 N CB -1.010 37.326 38.487 -0.252 0.000 0.993 645 N HN 0.773 nan 8.380 nan 0.000 0.547 646 G N -1.348 107.514 108.800 0.103 0.000 2.259 646 G HA2 -0.383 3.578 3.960 0.001 0.000 0.217 646 G HA3 -0.383 3.578 3.960 0.001 0.000 0.217 646 G C 0.683 175.679 174.900 0.161 0.000 1.001 646 G CA 0.714 45.894 45.100 0.133 0.000 0.627 646 G HN 0.472 nan 8.290 nan 0.000 0.501 647 Q N 1.268 121.154 119.800 0.144 0.000 1.993 647 Q HA 0.011 4.351 4.340 0.001 0.000 0.202 647 Q C 2.465 178.627 176.000 0.269 0.000 0.984 647 Q CA 3.225 59.135 55.803 0.179 0.000 0.837 647 Q CB -0.966 27.836 28.738 0.107 0.000 0.902 647 Q HN 0.490 nan 8.270 nan 0.000 0.423 648 T N 0.035 114.710 114.554 0.203 0.000 2.881 648 T HA -0.065 4.285 4.350 0.001 0.000 0.270 648 T C 1.928 176.962 174.700 0.557 0.000 1.068 648 T CA 1.201 63.484 62.100 0.305 0.000 1.131 648 T CB -0.261 68.681 68.868 0.122 0.000 0.871 648 T HN 0.242 nan 8.240 nan 0.000 0.479 649 S N 1.551 117.501 115.700 0.416 0.000 2.345 649 S HA 0.077 4.548 4.470 0.001 0.000 0.219 649 S C 2.651 177.489 174.600 0.396 0.000 1.031 649 S CA 0.805 59.286 58.200 0.468 0.000 0.984 649 S CB -0.589 62.795 63.200 0.306 0.000 0.874 649 S HN 0.582 nan 8.310 nan 0.000 0.451 650 A N 0.388 123.403 122.820 0.327 0.000 2.024 650 A HA -0.164 4.156 4.320 0.001 0.000 0.220 650 A C 1.774 179.646 177.584 0.481 0.000 1.164 650 A CA 1.372 53.587 52.037 0.297 0.000 0.643 650 A CB -1.040 18.123 19.000 0.272 0.000 0.806 650 A HN 0.732 nan 8.150 nan 0.000 0.451 651 W N -0.840 120.724 121.300 0.441 0.000 2.335 651 W HA -0.274 4.387 4.660 0.001 0.000 0.311 651 W C 2.028 178.804 176.519 0.429 0.000 1.213 651 W CA 2.094 59.777 57.345 0.563 0.000 1.274 651 W CB -0.409 29.371 29.460 0.534 0.000 1.148 651 W HN 0.463 nan 8.180 nan 0.000 0.498 652 Y N 0.308 120.950 120.300 0.569 0.000 2.181 652 Y HA -0.269 4.281 4.550 0.001 0.000 0.288 652 Y C 2.303 178.202 175.900 -0.002 0.000 1.146 652 Y CA 2.672 60.846 58.100 0.124 0.000 1.164 652 Y CB -0.798 37.460 38.460 -0.337 0.000 0.982 652 Y HN -0.167 nan 8.280 nan 0.000 0.515 653 V N -0.304 119.674 119.914 0.108 0.000 2.255 653 V HA -0.333 3.788 4.120 0.001 0.000 0.247 653 V C 2.121 178.150 176.094 -0.108 0.000 1.051 653 V CA 2.144 64.353 62.300 -0.152 0.000 1.018 653 V CB -1.051 30.593 31.823 -0.300 0.000 0.641 653 V HN 0.316 nan 8.190 nan 0.000 0.445 654 F N 1.126 121.014 119.950 -0.105 0.000 2.046 654 F HA -0.206 4.321 4.527 0.001 0.000 0.297 654 F C 2.807 178.393 175.800 -0.356 0.000 1.123 654 F CA 2.107 59.968 58.000 -0.233 0.000 1.199 654 F CB -0.978 37.956 39.000 -0.110 0.000 0.972 654 F HN 0.025 nan 8.300 nan 0.000 0.474 655 S N -0.227 115.363 115.700 -0.184 0.000 2.383 655 S HA -0.234 4.237 4.470 0.001 0.000 0.229 655 S C 2.259 176.681 174.600 -0.298 0.000 1.030 655 S CA 1.068 59.059 58.200 -0.347 0.000 1.002 655 S CB -0.777 61.898 63.200 -0.875 0.000 0.829 655 S HN 0.403 nan 8.310 nan 0.000 0.467 656 A N 1.105 123.728 122.820 -0.328 0.000 1.969 656 A HA 0.075 4.395 4.320 0.001 0.000 0.218 656 A C 2.051 179.579 177.584 -0.095 0.000 1.169 656 A CA 0.898 52.790 52.037 -0.241 0.000 0.635 656 A CB -0.540 18.398 19.000 -0.102 0.000 0.810 656 A HN 0.463 nan 8.150 nan 0.000 0.445 657 L N -1.918 119.220 121.223 -0.143 0.000 2.156 657 L HA 0.047 4.387 4.340 0.001 0.000 0.208 657 L C 1.906 178.628 176.870 -0.248 0.000 1.095 657 L CA 1.120 55.819 54.840 -0.233 0.000 0.770 657 L CB -0.246 41.525 42.059 -0.479 0.000 0.914 657 L HN 0.614 nan 8.230 nan 0.000 0.439 658 G N -0.805 107.826 108.800 -0.282 0.000 2.273 658 G HA2 -0.167 3.794 3.960 0.001 0.000 0.162 658 G HA3 -0.167 3.794 3.960 0.001 0.000 0.162 658 G C -0.055 174.958 174.900 0.188 0.000 1.006 658 G CA -0.134 44.962 45.100 -0.008 0.000 0.704 658 G HN 0.263 nan 8.290 nan 0.000 0.487 659 F N -1.729 118.328 119.950 0.179 0.000 2.686 659 F HA 0.856 5.383 4.527 0.001 0.000 0.311 659 F C -1.069 174.764 175.800 0.056 0.000 1.128 659 F CA -2.503 55.591 58.000 0.157 0.000 0.946 659 F CB 1.208 40.300 39.000 0.153 0.000 1.336 659 F HN 0.164 nan 8.300 nan 0.000 0.457 660 Y N 1.457 121.647 120.300 -0.183 0.000 2.479 660 Y HA 0.549 5.100 4.550 0.001 0.000 0.338 660 Y C -2.858 172.780 175.900 -0.438 0.000 1.055 660 Y CA -2.427 55.294 58.100 -0.633 0.000 1.023 660 Y CB 3.206 40.933 38.460 -1.221 0.000 1.287 660 Y HN 0.445 nan 8.280 nan 0.000 0.447 661 P HA 0.063 nan 4.420 nan 0.000 0.244 661 P C 0.520 177.562 177.300 -0.430 0.000 1.769 661 P CA 0.319 63.040 63.100 -0.632 0.000 1.102 661 P CB 0.661 31.960 31.700 -0.669 0.000 1.937 662 V N 1.330 121.209 119.914 -0.058 0.000 2.324 662 V HA -0.207 3.914 4.120 0.001 0.000 0.250 662 V C 1.473 177.608 176.094 0.067 0.000 1.060 662 V CA 1.831 64.258 62.300 0.212 0.000 1.042 662 V CB -0.334 31.699 31.823 0.350 0.000 0.650 662 V HN 0.552 nan 8.190 nan 0.000 0.450 663 C N 1.971 121.259 119.300 -0.019 0.000 2.816 663 C HA 0.509 4.970 4.460 0.001 0.000 0.255 663 C C -2.614 172.357 174.990 -0.032 0.000 1.141 663 C CA -2.310 56.678 59.018 -0.049 0.000 1.554 663 C CB -0.387 27.333 27.740 -0.033 0.000 1.778 663 C HN 0.297 nan 8.230 nan 0.000 0.429 664 P HA 0.316 nan 4.420 nan 0.000 0.266 664 P C 0.904 178.309 177.300 0.174 0.000 1.195 664 P CA 1.878 64.996 63.100 0.031 0.000 0.768 664 P CB 0.514 32.264 31.700 0.083 0.000 0.838 665 G N 0.827 109.673 108.800 0.077 0.000 2.238 665 G HA2 -0.187 3.774 3.960 0.001 0.000 0.217 665 G HA3 -0.187 3.774 3.960 0.001 0.000 0.217 665 G C 0.384 175.357 174.900 0.122 0.000 0.996 665 G CA 0.261 45.438 45.100 0.128 0.000 0.632 665 G HN 0.851 nan 8.290 nan 0.000 0.503 666 T N -1.038 113.564 114.554 0.080 0.000 2.884 666 T HA 0.539 4.890 4.350 0.001 0.000 0.277 666 T C 0.648 175.257 174.700 -0.151 0.000 0.976 666 T CA 0.595 62.663 62.100 -0.053 0.000 0.956 666 T CB 1.763 70.557 68.868 -0.123 0.000 1.113 666 T HN 0.351 nan 8.240 nan 0.000 0.554 667 D N -0.930 119.387 120.400 -0.137 0.000 2.491 667 D HA 0.143 4.784 4.640 0.001 0.000 0.228 667 D C -0.149 176.051 176.300 -0.167 0.000 1.183 667 D CA -0.364 53.548 54.000 -0.147 0.000 0.827 667 D CB -0.139 40.636 40.800 -0.043 0.000 0.989 667 D HN 0.694 nan 8.370 nan 0.000 0.494 668 E N 0.185 120.221 120.200 -0.273 0.000 2.183 668 E HA 0.306 4.657 4.350 0.001 0.000 0.271 668 E C -1.066 175.271 176.600 -0.438 0.000 0.919 668 E CA -0.852 55.435 56.400 -0.189 0.000 0.781 668 E CB 1.499 31.131 29.700 -0.114 0.000 1.140 668 E HN 0.151 nan 8.360 nan 0.000 0.402 669 Y N 0.849 121.186 120.300 0.062 0.000 2.334 669 Y HA 0.235 4.785 4.550 0.001 0.000 0.336 669 Y C 0.172 176.149 175.900 0.127 0.000 0.960 669 Y CA -0.945 57.175 58.100 0.034 0.000 1.164 669 Y CB 1.029 39.496 38.460 0.013 0.000 1.155 669 Y HN 0.215 nan 8.280 nan 0.000 0.478 670 V N 4.701 124.742 119.914 0.212 0.000 2.715 670 V HA 0.040 4.161 4.120 0.001 0.000 0.299 670 V C 0.313 176.608 176.094 0.335 0.000 1.054 670 V CA -0.551 61.908 62.300 0.264 0.000 1.077 670 V CB 0.920 32.909 31.823 0.277 0.000 0.972 670 V HN 0.728 nan 8.190 nan 0.000 0.484 671 M N 4.278 124.108 119.600 0.384 0.000 2.162 671 M HA 0.528 5.009 4.480 0.001 0.000 0.356 671 M C 0.528 177.122 176.300 0.490 0.000 1.303 671 M CA 0.565 56.108 55.300 0.405 0.000 1.116 671 M CB 0.693 33.475 32.600 0.303 0.000 1.632 671 M HN 0.783 nan 8.290 nan 0.000 0.469 672 G N 1.664 110.771 108.800 0.511 0.000 3.345 672 G HA2 0.489 4.450 3.960 0.001 0.000 0.202 672 G HA3 0.489 4.450 3.960 0.001 0.000 0.202 672 G C -0.909 174.109 174.900 0.198 0.000 1.740 672 G CA -0.107 45.213 45.100 0.367 0.000 0.806 672 G HN 0.615 nan 8.290 nan 0.000 0.718 673 T N 1.687 116.305 114.554 0.107 0.000 3.032 673 T HA 0.589 4.940 4.350 0.001 0.000 0.312 673 T C -3.056 171.644 174.700 0.000 0.000 1.078 673 T CA -1.080 61.058 62.100 0.064 0.000 1.028 673 T CB 2.167 71.062 68.868 0.045 0.000 1.091 673 T HN 0.220 nan 8.240 nan 0.000 0.457 674 P HA 0.264 nan 4.420 nan 0.000 0.279 674 P C 0.415 177.655 177.300 -0.101 0.000 1.239 674 P CA -0.558 62.522 63.100 -0.033 0.000 0.789 674 P CB 1.266 32.974 31.700 0.013 0.000 0.933 675 L N 2.375 123.481 121.223 -0.195 0.000 2.375 675 L HA 0.300 4.641 4.340 0.001 0.000 0.215 675 L C 0.273 176.829 176.870 -0.524 0.000 1.108 675 L CA 1.066 55.659 54.840 -0.411 0.000 0.830 675 L CB -0.295 41.385 42.059 -0.631 0.000 0.959 675 L HN 0.150 nan 8.230 nan 0.000 0.457 676 F N -0.770 119.104 119.950 -0.126 0.000 2.497 676 F HA 0.365 4.893 4.527 0.001 0.000 0.331 676 F C 1.524 177.286 175.800 -0.063 0.000 1.060 676 F CA -0.685 57.254 58.000 -0.102 0.000 0.989 676 F CB 0.938 39.854 39.000 -0.139 0.000 1.245 676 F HN -0.348 nan 8.300 nan 0.000 0.486 677 K N 0.188 120.689 120.400 0.169 0.000 2.217 677 K HA -0.020 4.301 4.320 0.001 0.000 0.202 677 K C 0.187 176.831 176.600 0.073 0.000 1.051 677 K CA 1.021 57.361 56.287 0.089 0.000 0.952 677 K CB 0.252 32.797 32.500 0.076 0.000 0.736 677 K HN 0.380 nan 8.250 nan 0.000 0.453 678 K N -0.027 120.423 120.400 0.083 0.000 2.550 678 K HA 0.440 4.760 4.320 0.001 0.000 0.252 678 K C -2.091 174.485 176.600 -0.041 0.000 0.943 678 K CA -0.479 55.820 56.287 0.021 0.000 0.806 678 K CB 2.111 34.619 32.500 0.014 0.000 1.289 678 K HN -0.022 nan 8.250 nan 0.000 0.435 679 A N 2.177 124.954 122.820 -0.072 0.000 2.414 679 A HA 0.703 5.024 4.320 0.001 0.000 0.306 679 A C -1.150 176.344 177.584 -0.149 0.000 1.054 679 A CA -0.595 51.349 52.037 -0.155 0.000 0.724 679 A CB 1.920 20.826 19.000 -0.157 0.000 1.267 679 A HN 0.551 nan 8.150 nan 0.000 0.418 680 T N 2.794 117.223 114.554 -0.209 0.000 2.812 680 T HA 0.569 4.920 4.350 0.001 0.000 0.282 680 T C -0.564 173.850 174.700 -0.477 0.000 0.990 680 T CA -0.253 61.666 62.100 -0.301 0.000 0.960 680 T CB 0.709 69.405 68.868 -0.287 0.000 0.948 680 T HN 0.475 nan 8.240 nan 0.000 0.438 681 L N 3.798 124.686 121.223 -0.558 0.000 2.317 681 L HA 0.513 4.854 4.340 0.001 0.000 0.281 681 L C -0.133 176.106 176.870 -1.052 0.000 1.024 681 L CA -1.032 53.362 54.840 -0.743 0.000 0.810 681 L CB 1.008 42.639 42.059 -0.713 0.000 1.240 681 L HN 0.574 nan 8.230 nan 0.000 0.427 682 H N 3.646 122.354 119.070 -0.603 0.000 2.638 682 H HA 0.359 4.915 4.556 0.001 0.000 0.303 682 H C -0.601 174.411 175.328 -0.526 0.000 1.034 682 H CA -0.484 55.275 56.048 -0.483 0.000 1.225 682 H CB 0.899 30.511 29.762 -0.251 0.000 1.394 682 H HN 0.283 nan 8.280 nan 0.000 0.477 683 F N 0.665 120.572 119.950 -0.072 0.000 2.380 683 F HA 0.122 4.650 4.527 0.001 0.000 0.325 683 F C 1.980 177.660 175.800 -0.201 0.000 1.136 683 F CA -0.620 57.252 58.000 -0.213 0.000 1.171 683 F CB 0.868 39.607 39.000 -0.435 0.000 1.230 683 F HN 0.455 nan 8.300 nan 0.000 0.554 684 E N 0.427 120.606 120.200 -0.035 0.000 2.265 684 E HA -0.227 4.123 4.350 0.001 0.000 0.196 684 E C 1.339 177.897 176.600 -0.071 0.000 0.996 684 E CA 1.315 57.688 56.400 -0.046 0.000 0.832 684 E CB -0.383 29.300 29.700 -0.027 0.000 0.756 684 E HN 0.699 nan 8.360 nan 0.000 0.491 685 N N -0.617 117.993 118.700 -0.150 0.000 2.521 685 N HA -0.034 4.707 4.740 0.001 0.000 0.188 685 N C 1.262 176.742 175.510 -0.050 0.000 1.146 685 N CA 0.515 53.486 53.050 -0.132 0.000 0.893 685 N CB 0.529 38.865 38.487 -0.252 0.000 0.975 685 N HN 0.143 nan 8.380 nan 0.000 0.451 686 G N 0.087 108.881 108.800 -0.009 0.000 2.232 686 G HA2 -0.240 3.721 3.960 0.001 0.000 0.226 686 G HA3 -0.240 3.721 3.960 0.001 0.000 0.226 686 G C -0.241 174.693 174.900 0.056 0.000 0.996 686 G CA -0.278 44.833 45.100 0.017 0.000 0.626 686 G HN 0.394 nan 8.290 nan 0.000 0.509 687 N N 0.703 119.459 118.700 0.094 0.000 2.434 687 N HA 0.697 5.438 4.740 0.001 0.000 0.266 687 N C -0.129 175.486 175.510 0.175 0.000 1.223 687 N CA 0.348 53.488 53.050 0.149 0.000 0.972 687 N CB 1.339 39.933 38.487 0.179 0.000 1.207 687 N HN 0.267 nan 8.380 nan 0.000 0.525 688 S N 0.149 115.926 115.700 0.128 0.000 2.570 688 S HA 0.534 5.005 4.470 0.001 0.000 0.286 688 S C -1.103 173.515 174.600 0.029 0.000 1.099 688 S CA -0.767 57.414 58.200 -0.032 0.000 0.913 688 S CB 1.746 64.935 63.200 -0.018 0.000 1.085 688 S HN 0.356 nan 8.310 nan 0.000 0.480 689 L N 2.899 124.063 121.223 -0.099 0.000 2.381 689 L HA 0.655 4.995 4.340 0.001 0.000 0.274 689 L C -1.551 175.269 176.870 -0.084 0.000 0.988 689 L CA -0.596 54.263 54.840 0.032 0.000 0.824 689 L CB 1.560 43.746 42.059 0.212 0.000 1.263 689 L HN 0.493 nan 8.230 nan 0.000 0.410 690 V N 6.277 126.166 119.914 -0.042 0.000 2.427 690 V HA 0.431 4.551 4.120 0.001 0.000 0.286 690 V C 0.262 176.327 176.094 -0.048 0.000 1.034 690 V CA -0.395 61.869 62.300 -0.060 0.000 0.893 690 V CB 1.938 33.742 31.823 -0.032 0.000 0.982 690 V HN 0.552 nan 8.190 nan 0.000 0.452 691 I N 4.227 124.767 120.570 -0.050 0.000 2.337 691 I HA 0.329 4.500 4.170 0.001 0.000 0.285 691 I C -0.305 175.801 176.117 -0.018 0.000 1.041 691 I CA -0.226 61.052 61.300 -0.038 0.000 1.199 691 I CB 0.955 38.951 38.000 -0.007 0.000 1.370 691 I HN 0.485 nan 8.210 nan 0.000 0.470 692 D N 6.472 126.864 120.400 -0.014 0.000 2.313 692 D HA 0.411 5.052 4.640 0.001 0.000 0.239 692 D C -0.104 176.201 176.300 0.009 0.000 1.142 692 D CA 0.029 54.031 54.000 0.002 0.000 0.847 692 D CB 2.050 42.854 40.800 0.006 0.000 1.082 692 D HN 0.586 nan 8.370 nan 0.000 0.480 693 A N 4.996 127.827 122.820 0.018 0.000 3.248 693 A HA 0.323 4.644 4.320 0.001 0.000 0.315 693 A C -1.600 175.997 177.584 0.021 0.000 0.974 693 A CA -0.914 51.135 52.037 0.020 0.000 0.939 693 A CB 0.711 19.724 19.000 0.021 0.000 1.061 693 A HN 0.273 nan 8.150 nan 0.000 0.481 694 P HA -0.195 nan 4.420 nan 0.000 0.218 694 P C 0.680 177.989 177.300 0.014 0.000 1.146 694 P CA 1.158 64.270 63.100 0.019 0.000 0.813 694 P CB 0.101 31.811 31.700 0.017 0.000 0.778 695 N N -0.837 117.868 118.700 0.008 0.000 2.268 695 N HA 0.001 4.741 4.740 0.001 0.000 0.204 695 N C 0.298 175.804 175.510 -0.007 0.000 1.124 695 N CA -0.339 52.711 53.050 0.000 0.000 0.838 695 N CB -0.107 38.379 38.487 -0.003 0.000 0.994 695 N HN -0.040 nan 8.380 nan 0.000 0.489 696 N N 0.951 119.649 118.700 -0.004 0.000 2.479 696 N HA 0.018 4.758 4.740 0.001 0.000 0.257 696 N C -0.521 174.975 175.510 -0.023 0.000 1.232 696 N CA 0.516 53.556 53.050 -0.015 0.000 0.920 696 N CB 1.127 39.605 38.487 -0.016 0.000 1.105 696 N HN 0.289 nan 8.380 nan 0.000 0.444 697 S N -0.108 115.574 115.700 -0.030 0.000 2.703 697 S HA 0.278 4.749 4.470 0.001 0.000 0.273 697 S C 0.695 175.282 174.600 -0.023 0.000 1.178 697 S CA -0.470 57.712 58.200 -0.030 0.000 0.838 697 S CB 0.414 63.600 63.200 -0.023 0.000 1.178 697 S HN 0.366 nan 8.310 nan 0.000 0.494 698 T N 1.237 115.778 114.554 -0.021 0.000 2.867 698 T HA 0.032 4.383 4.350 0.001 0.000 0.268 698 T C 1.224 175.971 174.700 0.079 0.000 1.057 698 T CA 2.013 64.111 62.100 -0.004 0.000 1.136 698 T CB -0.435 68.421 68.868 -0.020 0.000 0.874 698 T HN 0.629 nan 8.240 nan 0.000 0.466 699 E N 1.434 121.660 120.200 0.043 0.000 2.122 699 E HA 0.102 4.452 4.350 0.001 0.000 0.190 699 E C 0.640 177.172 176.600 -0.115 0.000 0.977 699 E CA 0.488 56.905 56.400 0.028 0.000 0.820 699 E CB -0.104 29.585 29.700 -0.018 0.000 0.770 699 E HN 0.518 nan 8.360 nan 0.000 0.462 700 N N 0.958 119.602 118.700 -0.094 0.000 3.034 700 N HA 0.100 4.840 4.740 0.001 0.000 0.265 700 N C -0.556 174.865 175.510 -0.148 0.000 1.166 700 N CA -0.229 52.720 53.050 -0.168 0.000 1.081 700 N CB 0.107 38.547 38.487 -0.079 0.000 1.378 700 N HN 0.144 nan 8.380 nan 0.000 0.520 701 F N -1.748 118.087 119.950 -0.192 0.000 2.661 701 F HA 0.415 4.942 4.527 0.001 0.000 0.306 701 F C -0.471 175.158 175.800 -0.285 0.000 1.094 701 F CA -0.957 56.883 58.000 -0.266 0.000 1.254 701 F CB -0.318 38.459 39.000 -0.371 0.000 1.040 701 F HN 0.010 nan 8.300 nan 0.000 0.562 702 Y N 2.116 122.272 120.300 -0.240 0.000 2.310 702 Y HA 0.491 5.041 4.550 0.001 0.000 0.326 702 Y C 0.461 176.351 175.900 -0.017 0.000 1.151 702 Y CA -1.758 56.296 58.100 -0.075 0.000 1.195 702 Y CB 0.934 39.295 38.460 -0.165 0.000 1.210 702 Y HN -0.082 nan 8.280 nan 0.000 0.483 703 I N 3.480 124.190 120.570 0.233 0.000 2.337 703 I HA 0.013 4.184 4.170 0.001 0.000 0.291 703 I C 0.963 177.155 176.117 0.125 0.000 1.046 703 I CA 0.143 61.534 61.300 0.151 0.000 1.324 703 I CB 0.867 38.961 38.000 0.157 0.000 1.409 703 I HN 0.786 nan 8.210 nan 0.000 0.494 704 D N 4.054 124.497 120.400 0.072 0.000 2.201 704 D HA -0.030 4.611 4.640 0.001 0.000 0.209 704 D C 0.402 176.726 176.300 0.040 0.000 0.961 704 D CA 0.859 54.878 54.000 0.033 0.000 0.861 704 D CB 0.710 41.511 40.800 0.002 0.000 0.997 704 D HN 0.603 nan 8.370 nan 0.000 0.486 705 S N -0.916 114.814 115.700 0.049 0.000 2.596 705 S HA 0.641 5.112 4.470 0.001 0.000 0.270 705 S C -0.785 173.857 174.600 0.069 0.000 1.155 705 S CA -0.949 57.285 58.200 0.057 0.000 0.827 705 S CB 2.713 65.938 63.200 0.041 0.000 1.130 705 S HN 0.111 nan 8.310 nan 0.000 0.467 706 M N 2.187 121.840 119.600 0.089 0.000 2.378 706 M HA 0.566 5.046 4.480 0.001 0.000 0.289 706 M C -1.543 174.830 176.300 0.122 0.000 1.136 706 M CA -0.220 55.137 55.300 0.094 0.000 0.917 706 M CB 2.332 35.008 32.600 0.126 0.000 1.669 706 M HN 1.111 nan 8.290 nan 0.000 0.461 707 S N 2.822 118.575 115.700 0.089 0.000 2.536 707 S HA 0.721 5.192 4.470 0.001 0.000 0.287 707 S C -1.540 173.143 174.600 0.138 0.000 1.101 707 S CA -0.655 57.624 58.200 0.132 0.000 0.950 707 S CB 1.988 65.248 63.200 0.101 0.000 1.056 707 S HN 0.562 nan 8.310 nan 0.000 0.481 708 F N 2.856 122.810 119.950 0.007 0.000 2.366 708 F HA 0.473 5.001 4.527 0.001 0.000 0.366 708 F C 0.266 176.063 175.800 -0.005 0.000 1.096 708 F CA -1.365 56.608 58.000 -0.046 0.000 1.060 708 F CB -0.400 38.535 39.000 -0.109 0.000 1.282 708 F HN 0.975 nan 8.300 nan 0.000 0.450 709 N N 3.613 122.536 118.700 0.371 0.000 2.721 709 N HA -0.199 4.541 4.740 0.001 0.000 0.249 709 N C 1.022 176.590 175.510 0.097 0.000 1.072 709 N CA 0.919 54.070 53.050 0.169 0.000 0.710 709 N CB -1.039 37.490 38.487 0.070 0.000 0.993 709 N HN 1.129 nan 8.380 nan 0.000 0.547 710 G N -1.822 107.041 108.800 0.105 0.000 2.299 710 G HA2 -0.240 3.721 3.960 0.001 0.000 0.237 710 G HA3 -0.240 3.721 3.960 0.001 0.000 0.237 710 G C 0.347 175.291 174.900 0.074 0.000 1.027 710 G CA 0.308 45.451 45.100 0.072 0.000 0.619 710 G HN 1.076 nan 8.290 nan 0.000 0.513 711 A N 0.491 123.362 122.820 0.084 0.000 2.425 711 A HA 0.524 4.845 4.320 0.001 0.000 0.249 711 A C 0.260 177.918 177.584 0.123 0.000 1.084 711 A CA 0.799 52.885 52.037 0.082 0.000 0.781 711 A CB 0.309 19.347 19.000 0.062 0.000 1.019 711 A HN 0.592 nan 8.150 nan 0.000 0.490 712 D N 0.342 120.799 120.400 0.095 0.000 2.389 712 D HA 0.126 4.766 4.640 0.001 0.000 0.247 712 D C -0.269 176.119 176.300 0.146 0.000 1.128 712 D CA 0.742 54.805 54.000 0.105 0.000 0.884 712 D CB 0.234 41.069 40.800 0.060 0.000 1.194 712 D HN 0.500 nan 8.370 nan 0.000 0.441 713 H N 2.668 121.771 119.070 0.055 0.000 2.866 713 H HA 0.188 4.745 4.556 0.001 0.000 0.287 713 H C 0.260 175.603 175.328 0.026 0.000 1.106 713 H CA -0.126 55.951 56.048 0.049 0.000 1.396 713 H CB 0.923 30.735 29.762 0.085 0.000 1.469 713 H HN 0.498 nan 8.280 nan 0.000 0.500 714 T N 1.244 115.685 114.554 -0.189 0.000 3.060 714 T HA 0.158 4.509 4.350 0.001 0.000 0.249 714 T C 0.527 175.134 174.700 -0.154 0.000 1.079 714 T CA -0.321 61.726 62.100 -0.089 0.000 1.013 714 T CB 0.252 69.095 68.868 -0.042 0.000 0.975 714 T HN 0.360 nan 8.240 nan 0.000 0.518 715 K N 1.698 121.826 120.400 -0.453 0.000 2.380 715 K HA 0.162 4.483 4.320 0.001 0.000 0.267 715 K C 0.030 176.563 176.600 -0.112 0.000 0.990 715 K CA 0.038 56.094 56.287 -0.385 0.000 0.946 715 K CB 0.291 32.313 32.500 -0.796 0.000 0.937 715 K HN 0.275 nan 8.250 nan 0.000 0.491 716 N N 0.674 119.399 118.700 0.042 0.000 2.322 716 N HA 0.039 4.779 4.740 0.001 0.000 0.216 716 N C -1.236 174.447 175.510 0.289 0.000 1.144 716 N CA -0.182 52.973 53.050 0.175 0.000 0.830 716 N CB 0.100 38.682 38.487 0.159 0.000 1.034 716 N HN 0.422 nan 8.380 nan 0.000 0.484 717 Y N -2.198 118.200 120.300 0.164 0.000 2.638 717 Y HA 0.579 5.130 4.550 0.001 0.000 0.335 717 Y C -1.760 174.274 175.900 0.223 0.000 1.155 717 Y CA -1.472 56.725 58.100 0.162 0.000 1.046 717 Y CB 0.931 39.445 38.460 0.089 0.000 1.303 717 Y HN -0.322 nan 8.280 nan 0.000 0.460 718 L N 2.290 123.665 121.223 0.254 0.000 2.333 718 L HA 0.711 5.051 4.340 0.001 0.000 0.269 718 L C -0.511 176.554 176.870 0.325 0.000 1.010 718 L CA -1.184 53.745 54.840 0.149 0.000 0.818 718 L CB 2.360 44.320 42.059 -0.164 0.000 1.306 718 L HN 0.680 nan 8.230 nan 0.000 0.430 719 R N -0.528 120.140 120.500 0.280 0.000 2.393 719 R HA 0.225 4.566 4.340 0.001 0.000 0.310 719 R C 0.567 176.978 176.300 0.185 0.000 0.968 719 R CA -0.612 55.642 56.100 0.256 0.000 0.867 719 R CB 1.561 31.997 30.300 0.226 0.000 1.124 719 R HN 0.515 nan 8.270 nan 0.000 0.450 720 H N 2.096 121.224 119.070 0.097 0.000 2.272 720 H HA -0.254 4.302 4.556 0.001 0.000 0.289 720 H C 0.922 176.074 175.328 -0.292 0.000 1.100 720 H CA 2.625 58.624 56.048 -0.081 0.000 1.209 720 H CB 0.502 30.161 29.762 -0.172 0.000 1.348 720 H HN 0.620 nan 8.280 nan 0.000 0.481 721 E N 0.067 120.239 120.200 -0.047 0.000 2.153 721 E HA -0.128 4.223 4.350 0.001 0.000 0.194 721 E C 1.941 178.514 176.600 -0.045 0.000 0.988 721 E CA 1.250 57.620 56.400 -0.050 0.000 0.811 721 E CB -0.095 29.619 29.700 0.024 0.000 0.746 721 E HN 0.594 nan 8.360 nan 0.000 0.466 722 D N 0.126 120.518 120.400 -0.014 0.000 2.097 722 D HA -0.084 4.557 4.640 0.001 0.000 0.197 722 D C 2.035 178.390 176.300 0.092 0.000 0.984 722 D CA 0.700 54.701 54.000 0.002 0.000 0.826 722 D CB -0.173 40.659 40.800 0.053 0.000 0.973 722 D HN 0.162 nan 8.370 nan 0.000 0.460 723 L N 0.097 121.350 121.223 0.050 0.000 1.989 723 L HA -0.195 4.146 4.340 0.001 0.000 0.211 723 L C 2.503 179.304 176.870 -0.114 0.000 1.071 723 L CA 0.915 55.757 54.840 0.003 0.000 0.749 723 L CB -0.495 41.428 42.059 -0.227 0.000 0.890 723 L HN -0.013 nan 8.230 nan 0.000 0.431 724 F N 0.826 120.409 119.950 -0.611 0.000 2.250 724 F HA -0.204 4.324 4.527 0.001 0.000 0.301 724 F C 2.403 178.053 175.800 -0.249 0.000 1.077 724 F CA 1.115 58.690 58.000 -0.708 0.000 1.348 724 F CB -0.736 37.944 39.000 -0.534 0.000 1.040 724 F HN 0.070 nan 8.300 nan 0.000 0.509 725 K N -0.224 120.214 120.400 0.063 0.000 2.365 725 K HA 0.150 4.471 4.320 0.001 0.000 0.199 725 K C 1.325 177.994 176.600 0.114 0.000 1.045 725 K CA 0.546 56.871 56.287 0.062 0.000 0.962 725 K CB -0.438 32.071 32.500 0.014 0.000 0.759 725 K HN 0.354 nan 8.250 nan 0.000 0.469 726 G N 0.062 108.982 108.800 0.199 0.000 2.698 726 G HA2 -0.025 3.936 3.960 0.001 0.000 0.233 726 G HA3 -0.025 3.936 3.960 0.001 0.000 0.233 726 G C 0.290 175.323 174.900 0.221 0.000 1.352 726 G CA -0.341 44.918 45.100 0.264 0.000 0.879 726 G HN 0.660 nan 8.290 nan 0.000 0.567 727 G N -3.090 105.814 108.800 0.175 0.000 2.408 727 G HA2 0.476 4.437 3.960 0.001 0.000 0.204 727 G HA3 0.476 4.437 3.960 0.001 0.000 0.204 727 G C -0.150 174.831 174.900 0.136 0.000 1.186 727 G CA 0.594 45.784 45.100 0.150 0.000 1.139 727 G HN 2.244 nan 8.290 nan 0.000 0.563 728 T N 0.582 115.228 114.554 0.154 0.000 2.861 728 T HA 0.671 5.022 4.350 0.001 0.000 0.287 728 T C -0.284 174.461 174.700 0.074 0.000 1.003 728 T CA -0.237 61.916 62.100 0.089 0.000 0.977 728 T CB 1.538 70.446 68.868 0.066 0.000 0.996 728 T HN 0.609 nan 8.240 nan 0.000 0.448 729 I N 2.753 123.283 120.570 -0.066 0.000 2.378 729 I HA 0.420 4.591 4.170 0.001 0.000 0.291 729 I C 0.047 176.116 176.117 -0.080 0.000 0.992 729 I CA -0.756 60.436 61.300 -0.180 0.000 1.154 729 I CB 1.657 39.407 38.000 -0.417 0.000 1.315 729 I HN 0.265 nan 8.210 nan 0.000 0.448 730 K N 5.308 125.686 120.400 -0.037 0.000 2.206 730 K HA 0.657 4.977 4.320 0.001 0.000 0.264 730 K C -1.287 175.312 176.600 -0.002 0.000 0.967 730 K CA -0.603 55.680 56.287 -0.007 0.000 0.844 730 K CB 2.168 34.679 32.500 0.019 0.000 1.099 730 K HN 0.293 nan 8.250 nan 0.000 0.441 731 V N 2.829 122.747 119.914 0.006 0.000 2.409 731 V HA 0.087 4.208 4.120 0.001 0.000 0.290 731 V C -0.749 175.361 176.094 0.025 0.000 1.017 731 V CA -0.990 61.323 62.300 0.021 0.000 0.841 731 V CB 1.405 33.242 31.823 0.025 0.000 1.003 731 V HN 0.701 nan 8.190 nan 0.000 0.426 732 D N 5.973 126.392 120.400 0.030 0.000 2.365 732 D HA 0.331 4.972 4.640 0.001 0.000 0.237 732 D C 0.026 176.341 176.300 0.025 0.000 1.190 732 D CA -0.281 53.733 54.000 0.023 0.000 0.867 732 D CB 0.680 41.492 40.800 0.020 0.000 1.050 732 D HN 0.219 nan 8.370 nan 0.000 0.491 733 M N 2.108 121.717 119.600 0.015 0.000 2.274 733 M HA 0.319 4.800 4.480 0.001 0.000 0.344 733 M C 0.338 176.633 176.300 -0.008 0.000 1.161 733 M CA -0.485 54.820 55.300 0.009 0.000 1.126 733 M CB 0.879 33.476 32.600 -0.004 0.000 1.522 733 M HN 0.394 nan 8.290 nan 0.000 0.461 734 S N 0.994 116.686 115.700 -0.014 0.000 2.651 734 S HA 0.531 5.002 4.470 0.001 0.000 0.279 734 S C 0.124 174.679 174.600 -0.074 0.000 1.148 734 S CA -0.674 57.505 58.200 -0.034 0.000 0.837 734 S CB 1.183 64.368 63.200 -0.025 0.000 1.138 734 S HN 0.749 nan 8.310 nan 0.000 0.478 735 N N 1.392 120.040 118.700 -0.087 0.000 2.230 735 N HA 0.182 4.923 4.740 0.001 0.000 0.202 735 N C -0.254 175.240 175.510 -0.026 0.000 1.119 735 N CA -0.171 52.799 53.050 -0.133 0.000 0.851 735 N CB 0.021 38.439 38.487 -0.115 0.000 0.990 735 N HN 0.349 nan 8.380 nan 0.000 0.497 736 R N 0.983 121.443 120.500 -0.066 0.000 2.670 736 R HA 0.486 4.827 4.340 0.001 0.000 0.289 736 R C -2.768 173.182 176.300 -0.582 0.000 0.965 736 R CA -1.756 54.188 56.100 -0.261 0.000 0.899 736 R CB 1.850 32.020 30.300 -0.217 0.000 1.173 736 R HN 0.118 nan 8.270 nan 0.000 0.456 737 P HA 0.025 nan 4.420 nan 0.000 0.271 737 P C -0.636 176.280 177.300 -0.640 0.000 1.218 737 P CA -0.328 62.051 63.100 -1.202 0.000 0.780 737 P CB 0.601 31.555 31.700 -1.243 0.000 0.901 738 N N 2.817 121.266 118.700 -0.418 0.000 2.485 738 N HA 0.083 4.823 4.740 0.001 0.000 0.243 738 N C 0.551 175.800 175.510 -0.434 0.000 0.987 738 N CA -0.364 52.493 53.050 -0.322 0.000 0.940 738 N CB -0.096 38.311 38.487 -0.133 0.000 1.122 738 N HN 0.054 nan 8.380 nan 0.000 0.509 739 L N 2.804 123.646 121.223 -0.634 0.000 2.549 739 L HA 0.103 4.443 4.340 0.001 0.000 0.229 739 L C 1.328 177.995 176.870 -0.338 0.000 1.158 739 L CA 0.727 55.034 54.840 -0.888 0.000 0.842 739 L CB -0.700 40.925 42.059 -0.724 0.000 0.952 739 L HN 0.586 nan 8.230 nan 0.000 0.452 740 N N -0.976 117.632 118.700 -0.154 0.000 2.294 740 N HA 0.044 4.785 4.740 0.001 0.000 0.186 740 N C 0.803 176.345 175.510 0.053 0.000 1.107 740 N CA -0.008 53.029 53.050 -0.022 0.000 0.884 740 N CB 0.793 39.254 38.487 -0.044 0.000 1.030 740 N HN 0.245 nan 8.380 nan 0.000 0.482 741 R N 0.617 121.163 120.500 0.075 0.000 2.340 741 R HA 0.300 4.641 4.340 0.001 0.000 0.300 741 R C 0.565 176.972 176.300 0.178 0.000 1.069 741 R CA 0.653 56.818 56.100 0.109 0.000 0.984 741 R CB 0.283 30.642 30.300 0.099 0.000 1.003 741 R HN 0.202 nan 8.270 nan 0.000 0.459 742 G N 2.704 111.580 108.800 0.127 0.000 2.176 742 G HA2 -0.305 3.655 3.960 0.001 0.000 0.252 742 G HA3 -0.305 3.655 3.960 0.001 0.000 0.252 742 G C 0.532 175.518 174.900 0.144 0.000 1.024 742 G CA 0.742 45.917 45.100 0.126 0.000 0.755 742 G HN 0.760 nan 8.290 nan 0.000 0.507 743 T N -2.915 111.728 114.554 0.148 0.000 3.014 743 T HA 0.352 4.702 4.350 0.001 0.000 0.250 743 T C 1.122 175.879 174.700 0.095 0.000 1.060 743 T CA 0.650 62.838 62.100 0.147 0.000 1.040 743 T CB 0.576 69.557 68.868 0.188 0.000 0.971 743 T HN 0.451 nan 8.240 nan 0.000 0.497 744 K N 1.937 122.380 120.400 0.073 0.000 2.414 744 K HA 0.080 4.401 4.320 0.001 0.000 0.272 744 K C 1.444 178.072 176.600 0.047 0.000 0.993 744 K CA -0.194 56.124 56.287 0.051 0.000 0.964 744 K CB 0.588 33.110 32.500 0.036 0.000 0.925 744 K HN 0.035 nan 8.250 nan 0.000 0.487 745 E N 2.919 123.143 120.200 0.038 0.000 2.110 745 E HA -0.233 4.117 4.350 0.001 0.000 0.193 745 E C 1.127 177.751 176.600 0.040 0.000 0.988 745 E CA 1.494 57.914 56.400 0.033 0.000 0.804 745 E CB 0.228 29.942 29.700 0.023 0.000 0.745 745 E HN 0.708 nan 8.360 nan 0.000 0.458 746 E N 0.111 120.337 120.200 0.043 0.000 2.511 746 E HA -0.131 4.219 4.350 0.001 0.000 0.196 746 E C 0.439 177.093 176.600 0.090 0.000 1.066 746 E CA 0.607 57.044 56.400 0.060 0.000 0.871 746 E CB -0.034 29.693 29.700 0.045 0.000 0.863 746 E HN 0.172 nan 8.360 nan 0.000 0.520 747 D N 0.564 121.006 120.400 0.070 0.000 2.348 747 D HA 0.033 4.674 4.640 0.001 0.000 0.211 747 D C 0.607 177.004 176.300 0.161 0.000 0.998 747 D CA 0.306 54.353 54.000 0.078 0.000 0.873 747 D CB 0.100 40.925 40.800 0.041 0.000 0.925 747 D HN 0.187 nan 8.370 nan 0.000 0.524 748 M N 1.544 121.205 119.600 0.100 0.000 2.243 748 M HA 0.234 4.715 4.480 0.001 0.000 0.341 748 M C -2.100 174.160 176.300 -0.068 0.000 1.130 748 M CA -2.147 53.146 55.300 -0.012 0.000 1.162 748 M CB -0.056 32.519 32.600 -0.042 0.000 1.497 748 M HN -0.245 nan 8.290 nan 0.000 0.456 749 P HA 0.140 nan 4.420 nan 0.000 0.279 749 P C -0.877 176.272 177.300 -0.252 0.000 1.282 749 P CA -0.505 62.275 63.100 -0.533 0.000 0.788 749 P CB 0.263 31.605 31.700 -0.597 0.000 1.139 750 Y N 0.408 120.561 120.300 -0.245 0.000 2.712 750 Y HA 0.179 4.730 4.550 0.001 0.000 0.333 750 Y C -0.409 175.568 175.900 0.128 0.000 1.225 750 Y CA 1.153 59.237 58.100 -0.026 0.000 1.499 750 Y CB 0.126 38.599 38.460 0.023 0.000 1.288 750 Y HN 0.190 nan 8.280 nan 0.000 0.575 751 S N 7.309 122.684 115.700 -0.542 0.000 2.547 751 S HA 0.165 4.635 4.470 0.001 0.000 0.281 751 S C 0.010 174.257 174.600 -0.589 0.000 1.118 751 S CA -0.825 57.166 58.200 -0.349 0.000 0.947 751 S CB 1.148 64.281 63.200 -0.111 0.000 1.053 751 S HN 0.771 nan 8.310 nan 0.000 0.482 752 F N 3.173 122.936 119.950 -0.313 0.000 2.126 752 F HA -0.124 4.404 4.527 0.001 0.000 0.299 752 F C 2.306 178.088 175.800 -0.030 0.000 1.096 752 F CA 1.746 59.766 58.000 0.034 0.000 1.255 752 F CB -0.757 38.444 39.000 0.335 0.000 0.997 752 F HN 0.572 nan 8.300 nan 0.000 0.479 753 S N 0.102 115.710 115.700 -0.154 0.000 2.387 753 S HA -0.226 4.245 4.470 0.001 0.000 0.230 753 S C 2.005 176.478 174.600 -0.211 0.000 1.035 753 S CA 1.609 59.672 58.200 -0.228 0.000 1.014 753 S CB -0.242 62.887 63.200 -0.118 0.000 0.836 753 S HN 0.429 nan 8.310 nan 0.000 0.466 754 K N 0.777 121.064 120.400 -0.189 0.000 2.062 754 K HA -0.029 4.292 4.320 0.001 0.000 0.205 754 K C 2.218 178.744 176.600 -0.124 0.000 1.051 754 K CA 0.778 56.977 56.287 -0.147 0.000 0.941 754 K CB -0.185 32.228 32.500 -0.144 0.000 0.719 754 K HN 0.344 nan 8.250 nan 0.000 0.440 755 E N 1.225 121.342 120.200 -0.138 0.000 2.086 755 E HA -0.257 4.094 4.350 0.001 0.000 0.205 755 E C 1.959 178.560 176.600 0.001 0.000 1.027 755 E CA 1.618 58.027 56.400 0.015 0.000 0.830 755 E CB -0.112 29.730 29.700 0.237 0.000 0.751 755 E HN 0.238 nan 8.360 nan 0.000 0.456 756 L N 0.426 121.586 121.223 -0.105 0.000 2.141 756 L HA -0.071 4.270 4.340 0.001 0.000 0.209 756 L C 1.903 178.730 176.870 -0.072 0.000 1.094 756 L CA 0.823 55.599 54.840 -0.107 0.000 0.763 756 L CB -1.121 40.788 42.059 -0.251 0.000 0.908 756 L HN 0.152 nan 8.230 nan 0.000 0.437 757 E N 0.000 120.150 120.200 -0.083 0.000 2.725 757 E HA 0.000 4.351 4.350 0.001 0.000 0.291 757 E CA 0.000 56.367 56.400 -0.056 0.000 0.976 757 E CB 0.000 29.666 29.700 -0.057 0.000 0.812 757 E HN 0.000 nan 8.360 nan 0.000 0.440