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 1f8u_1_A DATA FIRST_RESID 5 DATA SEQUENCE DAELLVTVRG GRLRGIRLKT PGGPVSAFLG IPFAEPPMGP RRFLPPEPKQ DATA SEQUENCE PWSGVVDATT FQSVcYQYVD TLYPGFEGTE MWNPNRELSE DcLYLNVWTP DATA SEQUENCE YPRPTSPTPV LVWIYGGGFY SGASSLDVYD GRFLVQAERT VLVSMNYRVG DATA SEQUENCE AFGFLALPGS REAPGNVGLL DQRLALQWVQ ENVAAFGGDP TSVTLFGQSA DATA SEQUENCE GAASVGMHLL SPPSRGLFHR AVLQSGAPNG PWATVGMGEA RRRATQLAHL DATA SEQUENCE VGcPXXXXXX NDTELVAcLR TRPAQVLVNH EWHVLPQESV FRFSFVPVVD DATA SEQUENCE GDFLSDTPEA LINAGDFHGL QVLVGVVKDE GSYFLVYGAP GFSKDNESLI DATA SEQUENCE SRAEFLAGVR VGVPQVSDLA AEAVVLHYTD WLHPEDPARL REALSDVVGD DATA SEQUENCE HNVVcPVAQL AGRLAAQGAR VYAYVFEHRA STLSWPLWMG VPHGYEIEFI DATA SEQUENCE FGIPLDPSRN YTAEEKIFAQ RLMRYWANFA RTGDPNEPXX PKAPQWPPYT DATA SEQUENCE AGAQQYVSLD LRPLEVRRGL RAQAcAFWNR FLPKLLSAT 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.339 176.300 0.065 0.000 2.045 5 D CA 0.000 54.030 54.000 0.050 0.000 0.868 5 D CB 0.000 40.820 40.800 0.034 0.000 0.688 6 A N 0.556 123.403 122.820 0.045 0.000 1.255 6 A HA -0.304 4.016 4.320 -0.000 0.000 0.250 6 A C 0.788 178.394 177.584 0.037 0.000 0.983 6 A CA 2.186 54.243 52.037 0.033 0.000 1.095 6 A CB -1.984 17.030 19.000 0.024 0.000 1.471 6 A HN 0.683 nan 8.150 nan 0.000 0.723 7 E N 0.746 120.968 120.200 0.037 0.000 2.394 7 E HA 0.518 4.868 4.350 -0.000 0.000 0.191 7 E C 0.745 177.460 176.600 0.191 0.000 1.044 7 E CA 0.201 56.641 56.400 0.065 0.000 0.939 7 E CB 0.040 29.719 29.700 -0.035 0.000 1.089 7 E HN 0.680 nan 8.360 nan 0.000 0.456 8 L N 1.041 122.340 121.223 0.128 0.000 2.700 8 L HA 0.215 4.555 4.340 -0.000 0.000 0.234 8 L C -0.344 176.611 176.870 0.142 0.000 1.156 8 L CA -0.002 54.855 54.840 0.028 0.000 0.946 8 L CB 0.310 42.325 42.059 -0.074 0.000 1.216 8 L HN 0.231 nan 8.230 nan 0.000 0.493 9 L N 0.593 121.961 121.223 0.240 0.000 2.356 9 L HA 0.596 4.936 4.340 -0.000 0.000 0.277 9 L C -0.400 176.588 176.870 0.198 0.000 0.996 9 L CA -0.369 54.608 54.840 0.228 0.000 0.822 9 L CB 1.893 44.020 42.059 0.112 0.000 1.256 9 L HN -0.310 nan 8.230 nan 0.000 0.413 10 V N 1.460 121.484 119.914 0.184 0.000 2.971 10 V HA 0.587 4.707 4.120 -0.000 0.000 0.309 10 V C -0.189 175.891 176.094 -0.023 0.000 1.130 10 V CA -0.514 61.734 62.300 -0.087 0.000 0.964 10 V CB 2.697 34.192 31.823 -0.547 0.000 1.029 10 V HN 0.792 nan 8.190 nan 0.000 0.427 11 T N 3.519 118.018 114.554 -0.092 0.000 2.770 11 T HA 0.627 4.977 4.350 -0.000 0.000 0.283 11 T C -0.203 174.447 174.700 -0.084 0.000 0.988 11 T CA -0.368 61.709 62.100 -0.038 0.000 0.957 11 T CB 1.371 70.208 68.868 -0.051 0.000 0.930 11 T HN 0.746 nan 8.240 nan 0.000 0.443 12 V N 2.117 122.027 119.914 -0.007 0.000 3.193 12 V HA 0.685 4.805 4.120 -0.000 0.000 0.320 12 V C 1.733 177.756 176.094 -0.119 0.000 1.112 12 V CA -1.107 61.170 62.300 -0.038 0.000 1.026 12 V CB 1.245 33.165 31.823 0.162 0.000 1.128 12 V HN 0.609 nan 8.190 nan 0.000 0.452 13 R N 1.436 121.848 120.500 -0.147 0.000 2.139 13 R HA -0.034 4.306 4.340 -0.000 0.000 0.243 13 R C 1.820 177.984 176.300 -0.226 0.000 1.145 13 R CA 2.371 58.375 56.100 -0.160 0.000 0.976 13 R CB -1.258 28.958 30.300 -0.139 0.000 0.866 13 R HN 1.012 nan 8.270 nan 0.000 0.449 14 G N -1.899 106.730 108.800 -0.284 0.000 2.453 14 G HA2 0.332 4.292 3.960 -0.000 0.000 0.215 14 G HA3 0.332 4.292 3.960 -0.000 0.000 0.215 14 G C 0.503 174.511 174.900 -1.487 0.000 1.147 14 G CA 0.506 45.195 45.100 -0.685 0.000 0.802 14 G HN 0.724 nan 8.290 nan 0.000 0.535 15 G N -1.100 106.988 108.800 -1.187 0.000 2.360 15 G HA2 0.412 4.372 3.960 -0.000 0.000 0.276 15 G HA3 0.412 4.372 3.960 -0.000 0.000 0.276 15 G C -1.448 173.443 174.900 -0.016 0.000 1.256 15 G CA -1.102 43.454 45.100 -0.906 0.000 0.890 15 G HN 0.301 nan 8.290 nan 0.000 0.486 16 R N -0.831 119.838 120.500 0.282 0.000 2.500 16 R HA 0.803 5.143 4.340 -0.000 0.000 0.277 16 R C -0.409 176.194 176.300 0.505 0.000 1.026 16 R CA -0.315 55.986 56.100 0.334 0.000 1.058 16 R CB 1.195 31.625 30.300 0.216 0.000 1.078 16 R HN 0.412 nan 8.270 nan 0.000 0.509 17 L N 1.324 122.773 121.223 0.376 0.000 2.388 17 L HA 0.578 4.918 4.340 -0.000 0.000 0.264 17 L C -0.351 176.712 176.870 0.321 0.000 0.998 17 L CA -0.912 54.151 54.840 0.372 0.000 0.817 17 L CB 2.170 44.523 42.059 0.491 0.000 1.338 17 L HN 0.418 nan 8.230 nan 0.000 0.414 18 R N 1.196 121.819 120.500 0.205 0.000 2.352 18 R HA 0.489 4.829 4.340 -0.000 0.000 0.304 18 R C -0.267 175.981 176.300 -0.086 0.000 1.104 18 R CA -0.219 55.929 56.100 0.081 0.000 0.991 18 R CB 1.348 31.666 30.300 0.030 0.000 1.140 18 R HN 0.871 nan 8.270 nan 0.000 0.540 19 G N 3.472 112.044 108.800 -0.380 0.000 2.504 19 G HA2 0.435 4.395 3.960 -0.000 0.000 0.257 19 G HA3 0.435 4.395 3.960 -0.000 0.000 0.257 19 G C 0.046 174.621 174.900 -0.541 0.000 1.451 19 G CA -0.344 44.215 45.100 -0.902 0.000 1.059 19 G HN 0.670 nan 8.290 nan 0.000 0.550 20 I N -3.920 116.326 120.570 -0.541 0.000 2.984 20 I HA 0.624 4.794 4.170 -0.000 0.000 0.303 20 I C -1.193 174.802 176.117 -0.204 0.000 1.381 20 I CA -1.209 59.919 61.300 -0.286 0.000 0.988 20 I CB 2.347 40.213 38.000 -0.223 0.000 1.307 20 I HN 0.355 nan 8.210 nan 0.000 0.460 21 R N 3.670 124.105 120.500 -0.110 0.000 2.312 21 R HA 0.694 5.034 4.340 -0.000 0.000 0.311 21 R C -1.171 175.091 176.300 -0.062 0.000 1.004 21 R CA -0.712 55.355 56.100 -0.054 0.000 0.902 21 R CB 1.540 31.812 30.300 -0.046 0.000 1.073 21 R HN 0.544 nan 8.270 nan 0.000 0.457 22 L N 3.724 124.927 121.223 -0.033 0.000 2.325 22 L HA 0.444 4.784 4.340 -0.000 0.000 0.278 22 L C 0.110 176.928 176.870 -0.086 0.000 1.023 22 L CA -0.886 53.931 54.840 -0.039 0.000 0.811 22 L CB 1.527 43.602 42.059 0.026 0.000 1.249 22 L HN 0.395 nan 8.230 nan 0.000 0.431 23 K N 1.832 122.169 120.400 -0.106 0.000 2.143 23 K HA 0.586 4.906 4.320 -0.000 0.000 0.272 23 K C -0.660 175.820 176.600 -0.199 0.000 1.001 23 K CA -0.494 55.715 56.287 -0.130 0.000 0.915 23 K CB 1.754 34.198 32.500 -0.093 0.000 1.047 23 K HN 0.483 nan 8.250 nan 0.000 0.458 24 T N 2.347 116.784 114.554 -0.195 0.000 2.933 24 T HA 0.213 4.563 4.350 -0.000 0.000 0.305 24 T C -2.260 172.374 174.700 -0.109 0.000 1.092 24 T CA -1.355 60.596 62.100 -0.247 0.000 1.008 24 T CB 1.936 70.596 68.868 -0.346 0.000 1.102 24 T HN 0.218 nan 8.240 nan 0.000 0.469 25 P HA 0.003 nan 4.420 nan 0.000 0.229 25 P C 1.080 178.376 177.300 -0.008 0.000 1.147 25 P CA 0.768 63.871 63.100 0.005 0.000 0.766 25 P CB 0.123 31.859 31.700 0.060 0.000 0.775 26 G N -2.786 105.997 108.800 -0.029 0.000 2.815 26 G HA2 0.499 4.459 3.960 -0.000 0.000 0.215 26 G HA3 0.499 4.459 3.960 -0.000 0.000 0.215 26 G C 0.445 175.322 174.900 -0.038 0.000 1.054 26 G CA 0.428 45.515 45.100 -0.022 0.000 0.832 26 G HN 0.512 nan 8.290 nan 0.000 0.557 27 G N -0.371 108.388 108.800 -0.068 0.000 2.352 27 G HA2 0.415 4.375 3.960 -0.000 0.000 0.302 27 G HA3 0.415 4.375 3.960 -0.000 0.000 0.302 27 G C -3.451 171.377 174.900 -0.121 0.000 1.370 27 G CA -0.505 44.543 45.100 -0.087 0.000 0.918 27 G HN 0.095 nan 8.290 nan 0.000 0.610 28 P HA 0.669 nan 4.420 nan 0.000 0.278 28 P C -0.712 176.555 177.300 -0.055 0.000 1.258 28 P CA -0.479 62.512 63.100 -0.182 0.000 0.811 28 P CB 2.084 33.570 31.700 -0.357 0.000 1.063 29 V N 0.058 119.985 119.914 0.021 0.000 3.007 29 V HA 0.311 4.431 4.120 -0.000 0.000 0.311 29 V C -0.062 176.150 176.094 0.196 0.000 1.120 29 V CA -0.617 61.779 62.300 0.160 0.000 0.980 29 V CB 2.190 34.109 31.823 0.161 0.000 1.033 29 V HN 0.473 nan 8.190 nan 0.000 0.429 30 S N 2.539 118.409 115.700 0.283 0.000 2.422 30 S HA 0.757 5.227 4.470 -0.000 0.000 0.308 30 S C -0.021 174.710 174.600 0.218 0.000 1.097 30 S CA -0.341 58.002 58.200 0.237 0.000 1.099 30 S CB 1.206 64.633 63.200 0.379 0.000 0.976 30 S HN 1.067 nan 8.310 nan 0.000 0.471 31 A N 3.195 125.984 122.820 -0.052 0.000 2.331 31 A HA 0.820 5.140 4.320 -0.000 0.000 0.320 31 A C -1.105 176.262 177.584 -0.361 0.000 1.138 31 A CA -0.593 51.314 52.037 -0.217 0.000 0.790 31 A CB 0.395 19.168 19.000 -0.378 0.000 1.206 31 A HN 0.645 nan 8.150 nan 0.000 0.470 32 F N 2.767 122.529 119.950 -0.312 0.000 2.366 32 F HA 0.463 4.990 4.527 -0.000 0.000 0.366 32 F C -0.188 175.403 175.800 -0.348 0.000 1.096 32 F CA -0.506 57.380 58.000 -0.189 0.000 1.060 32 F CB 1.248 40.285 39.000 0.061 0.000 1.282 32 F HN 0.353 nan 8.300 nan 0.000 0.450 33 L N 2.241 123.293 121.223 -0.285 0.000 2.309 33 L HA 0.741 5.081 4.340 -0.000 0.000 0.282 33 L C 0.920 177.670 176.870 -0.201 0.000 1.036 33 L CA -0.945 53.669 54.840 -0.376 0.000 0.806 33 L CB 1.570 43.179 42.059 -0.750 0.000 1.220 33 L HN 0.827 nan 8.230 nan 0.000 0.429 34 G N 2.940 111.687 108.800 -0.088 0.000 2.171 34 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.238 34 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.238 34 G C -0.091 174.820 174.900 0.019 0.000 1.039 34 G CA -0.511 44.542 45.100 -0.078 0.000 0.759 34 G HN 0.500 nan 8.290 nan 0.000 0.501 35 I N 2.393 123.003 120.570 0.067 0.000 2.452 35 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 35 I C -1.335 174.865 176.117 0.139 0.000 1.079 35 I CA -1.857 59.482 61.300 0.064 0.000 1.387 35 I CB 0.817 38.815 38.000 -0.004 0.000 1.404 35 I HN -0.007 nan 8.210 nan 0.000 0.522 36 P HA -0.000 nan 4.420 nan 0.000 0.276 36 P C -0.241 177.017 177.300 -0.069 0.000 1.253 36 P CA 0.052 63.073 63.100 -0.131 0.000 0.766 36 P CB 0.454 32.106 31.700 -0.079 0.000 0.845 37 F N 1.773 121.602 119.950 -0.202 0.000 2.706 37 F HA 0.740 5.267 4.527 -0.000 0.000 0.313 37 F C -0.106 175.696 175.800 0.003 0.000 1.096 37 F CA -1.123 56.825 58.000 -0.087 0.000 1.219 37 F CB 0.131 38.963 39.000 -0.279 0.000 1.051 37 F HN 0.350 nan 8.300 nan 0.000 0.568 38 A N -0.067 122.557 122.820 -0.326 0.000 2.606 38 A HA 0.600 4.920 4.320 -0.000 0.000 0.293 38 A C -1.051 176.408 177.584 -0.209 0.000 1.082 38 A CA -0.760 51.170 52.037 -0.179 0.000 0.685 38 A CB 1.010 19.858 19.000 -0.254 0.000 1.284 38 A HN 0.041 nan 8.150 nan 0.000 0.408 39 E N 2.566 122.713 120.200 -0.087 0.000 2.344 39 E HA 0.275 4.625 4.350 -0.000 0.000 0.270 39 E C -2.215 174.307 176.600 -0.131 0.000 1.021 39 E CA -1.594 54.760 56.400 -0.076 0.000 0.887 39 E CB 0.474 30.164 29.700 -0.016 0.000 0.997 39 E HN 0.418 nan 8.360 nan 0.000 0.429 40 P HA 0.022 nan 4.420 nan 0.000 0.262 40 P C -2.489 174.746 177.300 -0.109 0.000 1.182 40 P CA -1.097 61.910 63.100 -0.154 0.000 0.761 40 P CB -0.162 31.472 31.700 -0.111 0.000 0.795 41 P HA 0.182 nan 4.420 nan 0.000 0.226 41 P C -0.036 177.200 177.300 -0.108 0.000 1.783 41 P CA 0.357 63.399 63.100 -0.097 0.000 0.980 41 P CB -0.215 31.427 31.700 -0.097 0.000 1.967 42 M N 0.051 119.598 119.600 -0.089 0.000 2.444 42 M HA 0.348 4.828 4.480 -0.000 0.000 0.319 42 M C 1.782 178.037 176.300 -0.075 0.000 1.183 42 M CA -0.199 55.047 55.300 -0.089 0.000 1.032 42 M CB 0.146 32.705 32.600 -0.069 0.000 1.569 42 M HN 0.364 nan 8.290 nan 0.000 0.468 43 G N 3.151 111.905 108.800 -0.077 0.000 2.713 43 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.368 43 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.368 43 G C -1.061 173.814 174.900 -0.040 0.000 1.095 43 G CA 0.965 46.032 45.100 -0.055 0.000 0.935 43 G HN 0.633 nan 8.290 nan 0.000 0.696 44 P HA -0.067 nan 4.420 nan 0.000 0.222 44 P C 1.584 178.887 177.300 0.004 0.000 1.147 44 P CA 1.695 64.796 63.100 0.003 0.000 0.790 44 P CB -0.117 31.585 31.700 0.004 0.000 0.780 45 R N -0.859 119.629 120.500 -0.020 0.000 2.223 45 R HA 0.108 4.448 4.340 -0.000 0.000 0.198 45 R C 1.547 177.822 176.300 -0.042 0.000 0.984 45 R CA -0.337 55.752 56.100 -0.019 0.000 1.018 45 R CB -0.160 30.122 30.300 -0.030 0.000 0.945 45 R HN 0.115 nan 8.270 nan 0.000 0.479 46 R N 0.871 121.304 120.500 -0.111 0.000 2.538 46 R HA -0.213 4.127 4.340 -0.000 0.000 0.273 46 R C -0.355 175.823 176.300 -0.203 0.000 0.967 46 R CA 0.889 56.820 56.100 -0.282 0.000 1.101 46 R CB 0.109 30.135 30.300 -0.456 0.000 0.908 46 R HN 0.149 nan 8.270 nan 0.000 0.411 47 F N -0.177 119.771 119.950 -0.003 0.000 2.635 47 F HA -0.327 4.200 4.527 -0.000 0.000 0.502 47 F C 0.130 175.908 175.800 -0.037 0.000 0.538 47 F CA 0.682 58.655 58.000 -0.045 0.000 1.064 47 F CB -1.520 37.441 39.000 -0.065 0.000 1.751 47 F HN 0.372 nan 8.300 nan 0.000 0.268 48 L N 1.203 122.501 121.223 0.125 0.000 2.379 48 L HA 0.472 4.812 4.340 -0.000 0.000 0.269 48 L C -1.818 175.083 176.870 0.051 0.000 1.084 48 L CA -1.937 52.951 54.840 0.080 0.000 0.802 48 L CB 0.407 42.503 42.059 0.060 0.000 1.175 48 L HN -0.385 nan 8.230 nan 0.000 0.448 49 P HA 0.013 nan 4.420 nan 0.000 0.266 49 P C -2.369 174.964 177.300 0.055 0.000 1.193 49 P CA -0.557 62.577 63.100 0.056 0.000 0.770 49 P CB -0.208 31.533 31.700 0.068 0.000 0.836 50 P HA 0.098 nan 4.420 nan 0.000 0.271 50 P C -0.643 176.702 177.300 0.076 0.000 1.218 50 P CA 0.281 63.420 63.100 0.064 0.000 0.780 50 P CB 0.916 32.681 31.700 0.108 0.000 0.901 51 E N 2.660 122.893 120.200 0.055 0.000 2.183 51 E HA 0.372 4.722 4.350 -0.000 0.000 0.271 51 E C -2.325 174.325 176.600 0.083 0.000 0.919 51 E CA -2.477 53.962 56.400 0.065 0.000 0.781 51 E CB 0.976 30.703 29.700 0.045 0.000 1.140 51 E HN 0.332 nan 8.360 nan 0.000 0.402 52 P HA -0.115 nan 4.420 nan 0.000 0.263 52 P C -0.795 176.586 177.300 0.136 0.000 1.175 52 P CA 0.111 63.303 63.100 0.153 0.000 0.761 52 P CB 0.366 32.152 31.700 0.143 0.000 0.794 53 K N 3.802 124.308 120.400 0.177 0.000 2.412 53 K HA 0.008 4.328 4.320 -0.000 0.000 0.284 53 K C -0.123 176.606 176.600 0.215 0.000 1.046 53 K CA 0.534 56.928 56.287 0.179 0.000 0.999 53 K CB -0.165 32.476 32.500 0.235 0.000 0.941 53 K HN 0.352 nan 8.250 nan 0.000 0.474 54 Q N 5.256 125.160 119.800 0.173 0.000 2.352 54 Q HA 0.193 4.533 4.340 -0.000 0.000 0.260 54 Q C -2.008 174.108 176.000 0.193 0.000 0.976 54 Q CA -1.852 54.037 55.803 0.144 0.000 0.881 54 Q CB 0.318 29.120 28.738 0.106 0.000 1.235 54 Q HN 0.514 nan 8.270 nan 0.000 0.419 55 P HA -0.134 nan 4.420 nan 0.000 0.263 55 P C -1.367 175.949 177.300 0.026 0.000 1.175 55 P CA 0.314 63.359 63.100 -0.091 0.000 0.761 55 P CB 0.152 31.765 31.700 -0.145 0.000 0.794 56 W N 2.013 123.354 121.300 0.067 0.000 2.627 56 W HA 0.638 5.298 4.660 -0.000 0.000 0.339 56 W C -0.584 175.965 176.519 0.050 0.000 1.058 56 W CA -1.047 56.333 57.345 0.058 0.000 1.223 56 W CB 0.165 29.668 29.460 0.071 0.000 1.389 56 W HN 0.339 nan 8.180 nan 0.000 0.541 57 S N 2.511 118.343 115.700 0.221 0.000 2.586 57 S HA 0.831 5.301 4.470 -0.000 0.000 0.274 57 S C 0.481 175.233 174.600 0.254 0.000 1.281 57 S CA 0.104 58.386 58.200 0.136 0.000 1.035 57 S CB 0.893 64.148 63.200 0.092 0.000 0.962 57 S HN 2.082 nan 8.310 nan 0.000 0.512 58 G N 0.074 108.988 108.800 0.190 0.000 2.587 58 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.212 58 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.212 58 G C -0.628 174.458 174.900 0.309 0.000 1.327 58 G CA -0.360 44.864 45.100 0.207 0.000 0.898 58 G HN 1.866 nan 8.290 nan 0.000 0.551 59 V N -0.153 119.903 119.914 0.236 0.000 2.513 59 V HA 0.702 4.822 4.120 -0.000 0.000 0.299 59 V C 0.340 176.519 176.094 0.141 0.000 1.035 59 V CA -0.458 61.985 62.300 0.239 0.000 0.889 59 V CB 1.516 33.426 31.823 0.146 0.000 0.988 59 V HN 1.209 nan 8.190 nan 0.000 0.440 60 V N 5.626 125.607 119.914 0.112 0.000 2.509 60 V HA 0.319 4.439 4.120 -0.000 0.000 0.284 60 V C 0.132 176.199 176.094 -0.046 0.000 1.047 60 V CA -0.497 61.730 62.300 -0.122 0.000 0.952 60 V CB 1.633 33.190 31.823 -0.443 0.000 0.988 60 V HN 0.965 nan 8.190 nan 0.000 0.469 61 D N 4.457 124.803 120.400 -0.090 0.000 2.359 61 D HA 0.246 4.886 4.640 -0.000 0.000 0.250 61 D C 0.371 176.610 176.300 -0.101 0.000 1.264 61 D CA -0.037 53.914 54.000 -0.081 0.000 0.911 61 D CB 1.226 41.968 40.800 -0.097 0.000 1.056 61 D HN 0.651 nan 8.370 nan 0.000 0.499 62 A N 3.212 125.993 122.820 -0.066 0.000 3.159 62 A HA 0.191 4.511 4.320 -0.000 0.000 0.301 62 A C 1.278 178.750 177.584 -0.187 0.000 1.271 62 A CA -0.307 51.681 52.037 -0.081 0.000 0.998 62 A CB -0.313 18.744 19.000 0.094 0.000 1.101 62 A HN 0.500 nan 8.150 nan 0.000 0.610 63 T N -4.019 110.419 114.554 -0.193 0.000 3.040 63 T HA 0.305 4.655 4.350 -0.000 0.000 0.250 63 T C 0.560 175.110 174.700 -0.249 0.000 1.058 63 T CA 0.683 62.650 62.100 -0.220 0.000 0.988 63 T CB 0.121 68.892 68.868 -0.162 0.000 0.993 63 T HN 0.385 nan 8.240 nan 0.000 0.519 64 T N 0.117 114.511 114.554 -0.265 0.000 2.840 64 T HA 0.548 4.898 4.350 -0.000 0.000 0.317 64 T C -1.750 172.786 174.700 -0.273 0.000 1.401 64 T CA -0.853 61.080 62.100 -0.279 0.000 1.028 64 T CB 0.717 69.494 68.868 -0.150 0.000 1.317 64 T HN 0.052 nan 8.240 nan 0.000 0.495 65 F N 2.879 122.777 119.950 -0.086 0.000 2.518 65 F HA 0.355 4.882 4.527 -0.000 0.000 0.359 65 F C 1.411 177.129 175.800 -0.137 0.000 1.118 65 F CA -0.068 57.885 58.000 -0.079 0.000 1.287 65 F CB 0.600 39.588 39.000 -0.020 0.000 1.132 65 F HN 0.387 nan 8.300 nan 0.000 0.587 66 Q N 0.927 120.751 119.800 0.040 0.000 2.237 66 Q HA 0.281 4.621 4.340 -0.000 0.000 0.219 66 Q C -0.060 175.905 176.000 -0.057 0.000 0.999 66 Q CA -0.488 55.202 55.803 -0.188 0.000 0.959 66 Q CB 1.232 29.603 28.738 -0.611 0.000 1.173 66 Q HN 0.664 nan 8.270 nan 0.000 0.527 67 S N -0.065 115.584 115.700 -0.084 0.000 2.554 67 S HA 0.032 4.502 4.470 -0.000 0.000 0.290 67 S C 0.096 174.702 174.600 0.010 0.000 1.309 67 S CA -0.408 57.781 58.200 -0.019 0.000 1.047 67 S CB 0.213 63.416 63.200 0.006 0.000 0.828 67 S HN 0.331 nan 8.310 nan 0.000 0.509 68 V N 2.405 122.298 119.914 -0.035 0.000 2.546 68 V HA 0.090 4.210 4.120 -0.000 0.000 0.284 68 V C 0.631 176.694 176.094 -0.050 0.000 1.050 68 V CA -0.836 61.426 62.300 -0.063 0.000 0.981 68 V CB 0.797 32.549 31.823 -0.118 0.000 0.990 68 V HN 1.065 nan 8.190 nan 0.000 0.474 69 c N 4.804 123.381 118.600 -0.038 0.000 2.611 69 c HA 0.072 4.642 4.570 -0.000 0.000 0.416 69 c C 0.543 174.607 174.090 -0.043 0.000 1.366 69 c CA -0.553 55.759 56.329 -0.027 0.000 1.761 69 c CB -1.181 41.330 42.510 0.001 0.000 2.619 69 c HN 0.738 nan 8.230 nan 0.000 0.606 70 Y N 4.233 124.399 120.300 -0.224 0.000 2.881 70 Y HA 0.144 4.694 4.550 -0.000 0.000 0.335 70 Y C 0.886 176.759 175.900 -0.044 0.000 1.263 70 Y CA 1.224 59.177 58.100 -0.244 0.000 1.572 70 Y CB 0.144 38.225 38.460 -0.632 0.000 1.237 70 Y HN 0.758 nan 8.280 nan 0.000 0.568 71 Q N 3.758 123.504 119.800 -0.090 0.000 2.685 71 Q HA 0.270 4.610 4.340 -0.000 0.000 0.301 71 Q C -1.855 174.251 176.000 0.177 0.000 0.924 71 Q CA -1.271 54.631 55.803 0.164 0.000 0.755 71 Q CB 1.465 30.281 28.738 0.129 0.000 1.470 71 Q HN 0.588 nan 8.270 nan 0.000 0.434 72 Y N 0.701 121.164 120.300 0.271 0.000 2.304 72 Y HA 0.503 5.053 4.550 -0.000 0.000 0.327 72 Y C -1.131 174.932 175.900 0.272 0.000 1.209 72 Y CA -0.380 57.912 58.100 0.320 0.000 1.299 72 Y CB 1.293 40.072 38.460 0.532 0.000 1.249 72 Y HN 0.423 nan 8.280 nan 0.000 0.519 73 V N 6.082 125.569 119.914 -0.712 0.000 2.347 73 V HA 0.111 4.231 4.120 -0.000 0.000 0.280 73 V C -0.702 174.825 176.094 -0.945 0.000 1.021 73 V CA -0.920 61.029 62.300 -0.585 0.000 0.847 73 V CB 1.157 32.816 31.823 -0.274 0.000 0.990 73 V HN 0.787 nan 8.190 nan 0.000 0.444 74 D N 3.839 123.954 120.400 -0.474 0.000 2.367 74 D HA 0.060 4.700 4.640 -0.000 0.000 0.255 74 D C 1.183 177.507 176.300 0.039 0.000 1.300 74 D CA 0.135 54.088 54.000 -0.078 0.000 0.959 74 D CB 0.813 41.802 40.800 0.315 0.000 1.064 74 D HN 0.697 nan 8.370 nan 0.000 0.509 75 T N 1.465 116.039 114.554 0.034 0.000 3.273 75 T HA 0.041 4.391 4.350 -0.000 0.000 0.254 75 T C 1.574 176.305 174.700 0.052 0.000 1.002 75 T CA -0.590 61.542 62.100 0.054 0.000 0.913 75 T CB -0.121 68.769 68.868 0.036 0.000 1.056 75 T HN 0.258 nan 8.240 nan 0.000 0.576 76 L N 0.762 122.005 121.223 0.033 0.000 1.990 76 L HA 0.083 4.423 4.340 -0.000 0.000 0.213 76 L C -0.166 176.537 176.870 -0.278 0.000 1.072 76 L CA 1.637 56.351 54.840 -0.210 0.000 0.755 76 L CB -0.612 41.182 42.059 -0.442 0.000 0.889 76 L HN 0.428 nan 8.230 nan 0.000 0.432 77 Y N 0.362 120.716 120.300 0.090 0.000 2.575 77 Y HA 0.462 5.012 4.550 -0.000 0.000 0.326 77 Y C -2.111 173.839 175.900 0.084 0.000 0.979 77 Y CA -3.786 54.342 58.100 0.047 0.000 1.286 77 Y CB -0.243 38.214 38.460 -0.006 0.000 1.093 77 Y HN 0.111 nan 8.280 nan 0.000 0.501 78 P HA 0.083 nan 4.420 nan 0.000 0.264 78 P C 0.862 178.233 177.300 0.118 0.000 1.183 78 P CA 1.152 64.322 63.100 0.116 0.000 0.763 78 P CB 0.714 32.457 31.700 0.072 0.000 0.807 79 G N 2.031 110.882 108.800 0.085 0.000 2.203 79 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.263 79 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.263 79 G C -0.205 174.751 174.900 0.094 0.000 1.012 79 G CA -0.335 44.799 45.100 0.056 0.000 0.749 79 G HN 0.510 nan 8.290 nan 0.000 0.512 80 F N 0.866 120.778 119.950 -0.062 0.000 2.427 80 F HA 0.562 5.089 4.527 -0.000 0.000 0.346 80 F C 1.141 176.842 175.800 -0.165 0.000 1.120 80 F CA -1.094 56.818 58.000 -0.147 0.000 1.033 80 F CB 1.266 40.164 39.000 -0.170 0.000 1.126 80 F HN 0.154 nan 8.300 nan 0.000 0.462 81 E N 3.765 123.504 120.200 -0.769 0.000 2.051 81 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 81 E C 1.957 178.015 176.600 -0.903 0.000 0.991 81 E CA 1.456 57.431 56.400 -0.709 0.000 0.799 81 E CB -0.317 29.052 29.700 -0.552 0.000 0.748 81 E HN 0.997 nan 8.360 nan 0.000 0.449 82 G N -0.469 107.268 108.800 -1.773 0.000 2.499 82 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.221 82 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.221 82 G C 1.520 176.376 174.900 -0.074 0.000 1.109 82 G CA 1.359 45.751 45.100 -1.182 0.000 0.749 82 G HN 0.292 nan 8.290 nan 0.000 0.568 83 T N -0.408 114.032 114.554 -0.190 0.000 3.046 83 T HA 0.094 4.444 4.350 -0.000 0.000 0.242 83 T C 2.128 176.988 174.700 0.268 0.000 1.018 83 T CA 0.527 62.885 62.100 0.430 0.000 1.131 83 T CB 0.178 69.408 68.868 0.603 0.000 0.904 83 T HN 0.393 nan 8.240 nan 0.000 0.459 84 E N 1.828 122.037 120.200 0.016 0.000 2.358 84 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 84 E C 2.039 178.546 176.600 -0.155 0.000 1.010 84 E CA 0.672 57.048 56.400 -0.041 0.000 0.856 84 E CB -0.217 29.435 29.700 -0.081 0.000 0.795 84 E HN 0.641 nan 8.360 nan 0.000 0.504 85 M N -1.647 117.763 119.600 -0.316 0.000 2.549 85 M HA -0.053 4.427 4.480 -0.000 0.000 0.260 85 M C 0.892 176.787 176.300 -0.675 0.000 1.076 85 M CA 1.372 56.331 55.300 -0.569 0.000 1.090 85 M CB -0.362 31.767 32.600 -0.784 0.000 1.418 85 M HN 0.040 nan 8.290 nan 0.000 0.486 86 W N 0.564 121.769 121.300 -0.158 0.000 3.058 86 W HA 0.314 4.974 4.660 -0.000 0.000 0.306 86 W C 0.440 176.855 176.519 -0.173 0.000 1.188 86 W CA -0.862 56.370 57.345 -0.188 0.000 1.651 86 W CB -0.199 29.183 29.460 -0.131 0.000 1.051 86 W HN 0.052 nan 8.180 nan 0.000 0.592 87 N N 3.311 122.031 118.700 0.034 0.000 2.416 87 N HA 0.031 4.771 4.740 -0.000 0.000 0.246 87 N C -2.183 173.264 175.510 -0.104 0.000 1.260 87 N CA -0.569 52.461 53.050 -0.033 0.000 0.897 87 N CB -0.240 38.221 38.487 -0.044 0.000 1.110 87 N HN -0.197 nan 8.380 nan 0.000 0.439 88 P HA 0.039 nan 4.420 nan 0.000 0.267 88 P C -0.361 176.857 177.300 -0.135 0.000 1.209 88 P CA -0.147 62.867 63.100 -0.144 0.000 0.763 88 P CB 0.184 31.798 31.700 -0.144 0.000 0.816 89 N N 2.721 121.331 118.700 -0.150 0.000 2.320 89 N HA 0.130 4.870 4.740 -0.000 0.000 0.237 89 N C 0.216 175.669 175.510 -0.095 0.000 1.129 89 N CA -0.345 52.628 53.050 -0.127 0.000 0.854 89 N CB 0.319 38.715 38.487 -0.151 0.000 1.083 89 N HN 0.185 nan 8.380 nan 0.000 0.504 90 R N -0.476 119.969 120.500 -0.091 0.000 2.733 90 R HA 0.244 4.584 4.340 -0.000 0.000 0.272 90 R C -0.958 175.300 176.300 -0.071 0.000 1.029 90 R CA -0.662 55.399 56.100 -0.065 0.000 0.888 90 R CB 0.965 31.235 30.300 -0.050 0.000 1.251 90 R HN 0.375 nan 8.270 nan 0.000 0.464 91 E N 1.396 121.562 120.200 -0.056 0.000 2.398 91 E HA 0.109 4.459 4.350 -0.000 0.000 0.263 91 E C -0.494 176.069 176.600 -0.061 0.000 1.046 91 E CA -0.149 56.218 56.400 -0.054 0.000 0.908 91 E CB 0.630 30.309 29.700 -0.036 0.000 0.963 91 E HN 0.276 nan 8.360 nan 0.000 0.431 92 L N 3.152 124.327 121.223 -0.081 0.000 2.305 92 L HA 0.287 4.627 4.340 -0.000 0.000 0.281 92 L C 0.226 177.124 176.870 0.045 0.000 1.085 92 L CA -0.121 54.656 54.840 -0.106 0.000 0.813 92 L CB 1.313 43.155 42.059 -0.362 0.000 1.157 92 L HN 0.432 nan 8.230 nan 0.000 0.436 93 S N 1.115 116.860 115.700 0.075 0.000 2.547 93 S HA 0.237 4.707 4.470 -0.000 0.000 0.270 93 S C 0.277 174.875 174.600 -0.004 0.000 1.150 93 S CA -0.653 57.594 58.200 0.079 0.000 0.850 93 S CB 1.738 64.956 63.200 0.030 0.000 1.118 93 S HN 0.735 nan 8.310 nan 0.000 0.461 94 E N 0.917 121.048 120.200 -0.116 0.000 2.216 94 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 94 E C -0.215 176.308 176.600 -0.128 0.000 0.988 94 E CA 0.401 56.665 56.400 -0.227 0.000 0.834 94 E CB 0.088 29.604 29.700 -0.307 0.000 0.772 94 E HN 0.568 nan 8.360 nan 0.000 0.479 95 D N 0.806 121.166 120.400 -0.067 0.000 2.470 95 D HA -0.021 4.619 4.640 -0.000 0.000 0.226 95 D C 0.243 176.584 176.300 0.067 0.000 1.196 95 D CA -0.122 53.863 54.000 -0.026 0.000 0.979 95 D CB -0.039 40.775 40.800 0.023 0.000 1.059 95 D HN 0.151 nan 8.370 nan 0.000 0.515 96 c N 2.378 120.968 118.600 -0.018 0.000 3.911 96 c HA 0.368 4.938 4.570 -0.000 0.000 0.318 96 c C 0.800 174.856 174.090 -0.057 0.000 1.643 96 c CA -0.647 55.730 56.329 0.080 0.000 1.845 96 c CB -1.176 41.356 42.510 0.037 0.000 2.981 96 c HN 0.420 nan 8.230 nan 0.000 0.656 97 L N 2.529 123.483 121.223 -0.448 0.000 2.448 97 L HA 0.378 4.718 4.340 -0.000 0.000 0.278 97 L C -0.924 175.136 176.870 -1.348 0.000 1.201 97 L CA 0.591 54.950 54.840 -0.801 0.000 1.036 97 L CB -0.777 40.749 42.059 -0.887 0.000 1.325 97 L HN 0.351 nan 8.230 nan 0.000 0.441 98 Y N 2.246 122.354 120.300 -0.320 0.000 2.545 98 Y HA 0.640 5.190 4.550 -0.000 0.000 0.348 98 Y C -0.060 176.009 175.900 0.281 0.000 1.002 98 Y CA -1.204 56.840 58.100 -0.093 0.000 1.039 98 Y CB 2.037 40.465 38.460 -0.052 0.000 1.271 98 Y HN 0.228 nan 8.280 nan 0.000 0.467 99 L N -0.066 121.381 121.223 0.373 0.000 2.283 99 L HA 0.780 5.120 4.340 -0.000 0.000 0.259 99 L C -1.182 175.709 176.870 0.036 0.000 1.027 99 L CA -1.278 53.672 54.840 0.183 0.000 0.828 99 L CB 1.569 43.556 42.059 -0.120 0.000 1.380 99 L HN 0.487 nan 8.230 nan 0.000 0.425 100 N N -0.234 118.476 118.700 0.016 0.000 2.225 100 N HA 0.697 5.437 4.740 -0.000 0.000 0.298 100 N C -1.573 173.816 175.510 -0.200 0.000 1.076 100 N CA -0.412 52.550 53.050 -0.147 0.000 0.792 100 N CB 2.901 41.298 38.487 -0.151 0.000 1.498 100 N HN 0.483 nan 8.380 nan 0.000 0.474 101 V N 1.294 120.997 119.914 -0.351 0.000 2.588 101 V HA 0.462 4.582 4.120 -0.000 0.000 0.304 101 V C -0.858 175.100 176.094 -0.227 0.000 1.042 101 V CA -0.714 61.426 62.300 -0.267 0.000 0.877 101 V CB 2.356 33.785 31.823 -0.657 0.000 0.996 101 V HN 0.576 nan 8.190 nan 0.000 0.425 102 W N 2.809 124.160 121.300 0.086 0.000 2.411 102 W HA 0.567 5.227 4.660 -0.000 0.000 0.317 102 W C 0.010 176.611 176.519 0.137 0.000 1.030 102 W CA -0.351 57.079 57.345 0.142 0.000 1.239 102 W CB 2.142 31.681 29.460 0.132 0.000 1.304 102 W HN 0.530 nan 8.180 nan 0.000 0.437 103 T N 4.444 119.223 114.554 0.375 0.000 2.893 103 T HA 0.517 4.867 4.350 -0.000 0.000 0.291 103 T C -2.515 172.357 174.700 0.285 0.000 1.028 103 T CA -2.254 60.032 62.100 0.310 0.000 0.995 103 T CB 1.966 71.040 68.868 0.343 0.000 1.051 103 T HN -0.086 nan 8.240 nan 0.000 0.470 104 P HA 0.124 nan 4.420 nan 0.000 0.267 104 P C -1.738 175.690 177.300 0.213 0.000 1.201 104 P CA 0.003 63.217 63.100 0.191 0.000 0.775 104 P CB 0.131 31.911 31.700 0.134 0.000 0.854 105 Y N 3.522 123.875 120.300 0.089 0.000 2.331 105 Y HA 0.454 5.004 4.550 -0.000 0.000 0.334 105 Y C -2.396 173.533 175.900 0.050 0.000 0.960 105 Y CA -2.950 55.195 58.100 0.075 0.000 1.130 105 Y CB 0.957 39.454 38.460 0.062 0.000 1.164 105 Y HN 0.298 nan 8.280 nan 0.000 0.458 106 P HA 0.253 nan 4.420 nan 0.000 0.279 106 P C -0.781 176.434 177.300 -0.142 0.000 1.239 106 P CA -0.580 62.285 63.100 -0.392 0.000 0.789 106 P CB 1.127 32.662 31.700 -0.275 0.000 0.933 107 R N 3.432 123.839 120.500 -0.156 0.000 2.489 107 R HA -0.043 4.297 4.340 -0.000 0.000 0.287 107 R C -1.878 174.417 176.300 -0.008 0.000 0.902 107 R CA -0.315 55.771 56.100 -0.024 0.000 1.136 107 R CB -0.903 29.379 30.300 -0.030 0.000 0.872 107 R HN 0.377 nan 8.270 nan 0.000 0.421 108 P HA -0.043 nan 4.420 nan 0.000 0.267 108 P C 0.197 177.502 177.300 0.009 0.000 1.200 108 P CA 0.201 63.317 63.100 0.027 0.000 0.772 108 P CB 0.948 32.677 31.700 0.048 0.000 0.855 109 T N -1.960 112.596 114.554 0.003 0.000 2.937 109 T HA 0.053 4.403 4.350 -0.000 0.000 0.260 109 T C 0.707 175.405 174.700 -0.003 0.000 1.051 109 T CA 0.590 62.687 62.100 -0.005 0.000 1.141 109 T CB -0.111 68.753 68.868 -0.006 0.000 0.879 109 T HN 0.255 nan 8.240 nan 0.000 0.459 110 S N 2.852 118.554 115.700 0.003 0.000 2.549 110 S HA 0.528 4.997 4.470 -0.000 0.000 0.297 110 S C -2.752 171.853 174.600 0.009 0.000 1.115 110 S CA -1.389 56.812 58.200 0.002 0.000 1.059 110 S CB 1.455 64.655 63.200 -0.000 0.000 1.046 110 S HN 0.293 nan 8.310 nan 0.000 0.506 111 P HA -0.015 nan 4.420 nan 0.000 0.257 111 P C -0.346 176.964 177.300 0.017 0.000 1.189 111 P CA 0.288 63.396 63.100 0.014 0.000 0.780 111 P CB -0.248 31.455 31.700 0.004 0.000 0.772 112 T N 4.073 118.648 114.554 0.035 0.000 2.875 112 T HA 0.417 4.767 4.350 -0.000 0.000 0.284 112 T C -2.546 172.180 174.700 0.042 0.000 0.995 112 T CA -2.656 59.465 62.100 0.035 0.000 1.060 112 T CB 0.289 69.187 68.868 0.049 0.000 0.967 112 T HN 0.072 nan 8.240 nan 0.000 0.476 113 P HA 0.115 nan 4.420 nan 0.000 0.264 113 P C -0.982 176.355 177.300 0.062 0.000 1.183 113 P CA -0.133 62.984 63.100 0.028 0.000 0.763 113 P CB 0.393 32.093 31.700 0.000 0.000 0.807 114 V N 5.012 124.981 119.914 0.092 0.000 2.630 114 V HA 0.382 4.502 4.120 -0.000 0.000 0.305 114 V C 0.287 176.467 176.094 0.144 0.000 1.046 114 V CA -0.566 61.812 62.300 0.129 0.000 0.934 114 V CB 1.487 33.403 31.823 0.155 0.000 1.003 114 V HN 0.354 nan 8.190 nan 0.000 0.451 115 L N 4.153 125.478 121.223 0.170 0.000 2.349 115 L HA 0.588 4.928 4.340 -0.000 0.000 0.278 115 L C -0.949 176.168 176.870 0.411 0.000 0.996 115 L CA -0.615 54.356 54.840 0.218 0.000 0.825 115 L CB 2.043 44.118 42.059 0.026 0.000 1.243 115 L HN 0.393 nan 8.230 nan 0.000 0.412 116 V N 2.920 123.111 119.914 0.463 0.000 2.398 116 V HA 0.354 4.474 4.120 -0.000 0.000 0.286 116 V C -0.609 175.753 176.094 0.446 0.000 1.026 116 V CA -0.563 61.974 62.300 0.394 0.000 0.868 116 V CB 1.927 33.861 31.823 0.185 0.000 0.982 116 V HN 0.690 nan 8.190 nan 0.000 0.443 117 W N 6.960 128.310 121.300 0.083 0.000 2.478 117 W HA 0.695 5.355 4.660 -0.000 0.000 0.318 117 W C -1.629 174.760 176.519 -0.218 0.000 1.062 117 W CA -0.969 56.176 57.345 -0.333 0.000 1.210 117 W CB 1.531 30.736 29.460 -0.425 0.000 1.325 117 W HN 0.436 nan 8.180 nan 0.000 0.496 118 I N 8.739 128.695 120.570 -1.023 0.000 2.382 118 I HA 0.100 4.270 4.170 -0.000 0.000 0.285 118 I C -0.137 175.141 176.117 -1.397 0.000 1.007 118 I CA -1.105 59.647 61.300 -0.915 0.000 1.142 118 I CB 0.851 38.477 38.000 -0.624 0.000 1.289 118 I HN 0.315 nan 8.210 nan 0.000 0.453 119 Y N 4.747 124.505 120.300 -0.902 0.000 2.385 119 Y HA 0.697 5.247 4.550 -0.000 0.000 0.346 119 Y C 0.728 176.399 175.900 -0.381 0.000 1.270 119 Y CA -0.802 56.852 58.100 -0.743 0.000 1.472 119 Y CB -0.089 38.196 38.460 -0.291 0.000 1.354 119 Y HN 0.506 nan 8.280 nan 0.000 0.611 120 G N -1.510 107.284 108.800 -0.010 0.000 2.753 120 G HA2 0.514 4.474 3.960 -0.000 0.000 0.285 120 G HA3 0.514 4.474 3.960 -0.000 0.000 0.285 120 G C 0.102 174.941 174.900 -0.103 0.000 1.344 120 G CA -0.984 44.043 45.100 -0.122 0.000 1.050 120 G HN 1.667 nan 8.290 nan 0.000 0.532 121 G N -2.596 105.994 108.800 -0.349 0.000 2.321 121 G HA2 0.418 4.378 3.960 -0.000 0.000 0.219 121 G HA3 0.418 4.378 3.960 -0.000 0.000 0.219 121 G C 0.985 175.362 174.900 -0.872 0.000 1.057 121 G CA 0.713 45.484 45.100 -0.549 0.000 0.849 121 G HN 2.286 nan 8.290 nan 0.000 0.520 122 G N -0.367 107.937 108.800 -0.827 0.000 2.296 122 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.282 122 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.282 122 G C 0.964 175.657 174.900 -0.345 0.000 1.014 122 G CA 0.832 45.272 45.100 -1.099 0.000 0.812 122 G HN 1.720 nan 8.290 nan 0.000 0.508 123 F N -3.594 116.273 119.950 -0.139 0.000 2.825 123 F HA -0.333 4.194 4.527 -0.000 0.000 0.358 123 F C 1.552 177.458 175.800 0.178 0.000 0.639 123 F CA 2.236 60.252 58.000 0.026 0.000 1.153 123 F CB -2.018 36.852 39.000 -0.217 0.000 1.610 123 F HN 0.870 nan 8.300 nan 0.000 0.305 124 Y N -0.656 119.735 120.300 0.151 0.000 2.444 124 Y HA 0.644 5.194 4.550 -0.000 0.000 0.249 124 Y C 0.708 176.727 175.900 0.199 0.000 1.134 124 Y CA 0.277 58.489 58.100 0.188 0.000 1.261 124 Y CB -0.008 38.489 38.460 0.061 0.000 1.143 124 Y HN 0.114 nan 8.280 nan 0.000 0.523 125 S N -0.906 114.580 115.700 -0.358 0.000 2.727 125 S HA 0.862 5.332 4.470 -0.000 0.000 0.278 125 S C -0.194 174.264 174.600 -0.237 0.000 1.186 125 S CA -0.454 57.592 58.200 -0.258 0.000 0.836 125 S CB 1.357 64.322 63.200 -0.392 0.000 1.186 125 S HN 1.370 nan 8.310 nan 0.000 0.499 126 G N -0.665 107.974 108.800 -0.269 0.000 2.484 126 G HA2 0.546 4.506 3.960 -0.000 0.000 0.685 126 G HA3 0.546 4.506 3.960 -0.000 0.000 0.685 126 G C -0.632 173.715 174.900 -0.923 0.000 1.294 126 G CA -0.270 44.541 45.100 -0.482 0.000 0.879 126 G HN 2.256 nan 8.290 nan 0.000 0.646 127 A N -0.456 121.649 122.820 -1.191 0.000 2.582 127 A HA 0.922 5.242 4.320 -0.000 0.000 0.297 127 A C 0.818 178.129 177.584 -0.455 0.000 1.059 127 A CA 0.704 52.207 52.037 -0.891 0.000 0.705 127 A CB 0.848 19.612 19.000 -0.394 0.000 1.279 127 A HN 2.425 nan 8.150 nan 0.000 0.404 128 S N 0.319 115.977 115.700 -0.070 0.000 2.555 128 S HA -0.057 4.413 4.470 -0.000 0.000 0.230 128 S C 1.289 175.887 174.600 -0.003 0.000 0.978 128 S CA 1.318 59.695 58.200 0.295 0.000 0.934 128 S CB -0.430 63.059 63.200 0.482 0.000 0.766 128 S HN 1.768 nan 8.310 nan 0.000 0.533 129 S N 0.864 116.340 115.700 -0.372 0.000 2.575 129 S HA 0.341 4.811 4.470 -0.000 0.000 0.215 129 S C 0.489 174.673 174.600 -0.694 0.000 0.966 129 S CA -0.669 56.880 58.200 -1.085 0.000 0.911 129 S CB -0.655 62.017 63.200 -0.880 0.000 0.780 129 S HN 0.490 nan 8.310 nan 0.000 0.514 130 L N 2.285 123.263 121.223 -0.409 0.000 2.461 130 L HA 0.159 4.499 4.340 -0.000 0.000 0.272 130 L C 1.084 177.676 176.870 -0.464 0.000 1.197 130 L CA -0.505 54.050 54.840 -0.474 0.000 0.836 130 L CB 0.271 41.916 42.059 -0.689 0.000 1.105 130 L HN 0.114 nan 8.230 nan 0.000 0.477 131 D N 1.378 121.536 120.400 -0.402 0.000 2.182 131 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 131 D C 1.922 177.987 176.300 -0.392 0.000 0.986 131 D CA 0.989 54.812 54.000 -0.296 0.000 0.847 131 D CB 0.117 40.766 40.800 -0.251 0.000 0.942 131 D HN 0.403 nan 8.370 nan 0.000 0.467 132 V N 0.299 119.834 119.914 -0.631 0.000 2.970 132 V HA -0.197 3.923 4.120 -0.000 0.000 0.260 132 V C 0.500 176.083 176.094 -0.852 0.000 1.100 132 V CA 1.069 62.947 62.300 -0.704 0.000 1.122 132 V CB -0.535 30.791 31.823 -0.829 0.000 0.721 132 V HN 0.119 nan 8.190 nan 0.000 0.483 133 Y N -0.172 119.668 120.300 -0.767 0.000 2.683 133 Y HA 0.416 4.966 4.550 -0.000 0.000 0.297 133 Y C 0.478 176.054 175.900 -0.540 0.000 1.147 133 Y CA -1.832 55.542 58.100 -1.210 0.000 1.274 133 Y CB -0.721 37.304 38.460 -0.724 0.000 1.143 133 Y HN 0.248 nan 8.280 nan 0.000 0.527 134 D N 0.208 120.513 120.400 -0.159 0.000 2.338 134 D HA 0.151 4.791 4.640 -0.000 0.000 0.255 134 D C 1.496 177.701 176.300 -0.157 0.000 1.237 134 D CA 0.329 54.315 54.000 -0.024 0.000 0.883 134 D CB 1.256 42.137 40.800 0.134 0.000 1.087 134 D HN 0.451 nan 8.370 nan 0.000 0.485 135 G N 4.205 112.392 108.800 -1.021 0.000 2.484 135 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 135 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 135 G C 1.489 175.965 174.900 -0.706 0.000 1.130 135 G CA 0.695 45.129 45.100 -1.109 0.000 0.784 135 G HN 0.654 nan 8.290 nan 0.000 0.543 136 R N -0.429 119.724 120.500 -0.577 0.000 2.140 136 R HA -0.185 4.155 4.340 -0.000 0.000 0.250 136 R C 1.958 178.091 176.300 -0.278 0.000 1.150 136 R CA 2.014 57.969 56.100 -0.242 0.000 0.966 136 R CB -0.874 29.303 30.300 -0.206 0.000 0.869 136 R HN 0.345 nan 8.270 nan 0.000 0.445 137 F N 0.655 120.522 119.950 -0.137 0.000 2.163 137 F HA -0.029 4.498 4.527 -0.000 0.000 0.297 137 F C 2.257 177.973 175.800 -0.139 0.000 1.094 137 F CA 0.776 58.704 58.000 -0.121 0.000 1.290 137 F CB -0.588 38.331 39.000 -0.136 0.000 1.017 137 F HN 0.013 nan 8.300 nan 0.000 0.483 138 L N -0.138 121.073 121.223 -0.019 0.000 2.093 138 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 138 L C 2.108 178.929 176.870 -0.081 0.000 1.085 138 L CA 1.366 56.134 54.840 -0.120 0.000 0.755 138 L CB -0.664 41.219 42.059 -0.293 0.000 0.904 138 L HN -0.025 nan 8.230 nan 0.000 0.435 139 V N -0.595 119.281 119.914 -0.063 0.000 2.270 139 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 139 V C 2.575 178.686 176.094 0.028 0.000 1.043 139 V CA 1.793 64.103 62.300 0.017 0.000 1.014 139 V CB -0.770 31.117 31.823 0.107 0.000 0.645 139 V HN 0.544 nan 8.190 nan 0.000 0.447 140 Q N 0.491 120.295 119.800 0.006 0.000 2.030 140 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 140 Q C 2.301 178.305 176.000 0.007 0.000 0.986 140 Q CA 2.568 58.374 55.803 0.005 0.000 0.843 140 Q CB -0.488 28.218 28.738 -0.053 0.000 0.904 140 Q HN 0.581 nan 8.270 nan 0.000 0.420 141 A N 0.857 123.676 122.820 -0.002 0.000 1.877 141 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 141 A C 1.717 179.297 177.584 -0.006 0.000 1.186 141 A CA 1.695 53.730 52.037 -0.003 0.000 0.620 141 A CB -0.264 18.731 19.000 -0.008 0.000 0.822 141 A HN 0.382 nan 8.150 nan 0.000 0.443 142 E N -0.963 119.230 120.200 -0.011 0.000 2.501 142 E HA 0.120 4.470 4.350 -0.000 0.000 0.201 142 E C -0.476 176.132 176.600 0.012 0.000 1.016 142 E CA -0.251 56.146 56.400 -0.006 0.000 0.920 142 E CB 0.118 29.806 29.700 -0.020 0.000 1.023 142 E HN 0.508 nan 8.360 nan 0.000 0.474 143 R N 1.478 121.994 120.500 0.027 0.000 2.884 143 R HA -0.152 4.188 4.340 -0.000 0.000 0.251 143 R C -0.248 176.082 176.300 0.050 0.000 0.870 143 R CA 1.100 57.229 56.100 0.049 0.000 0.647 143 R CB -2.025 28.304 30.300 0.048 0.000 1.415 143 R HN 0.244 nan 8.270 nan 0.000 0.513 144 T N -3.119 111.469 114.554 0.058 0.000 2.900 144 T HA 0.520 4.870 4.350 -0.000 0.000 0.303 144 T C 0.101 174.862 174.700 0.101 0.000 1.142 144 T CA -1.032 61.105 62.100 0.062 0.000 1.007 144 T CB 2.130 71.017 68.868 0.031 0.000 1.156 144 T HN 0.009 nan 8.240 nan 0.000 0.490 145 V N 3.341 123.327 119.914 0.120 0.000 2.614 145 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 145 V C 0.073 176.275 176.094 0.180 0.000 1.049 145 V CA -0.755 61.642 62.300 0.161 0.000 1.038 145 V CB 1.061 32.975 31.823 0.152 0.000 0.980 145 V HN 0.826 nan 8.190 nan 0.000 0.481 146 L N 6.447 127.824 121.223 0.257 0.000 2.381 146 L HA 0.689 5.029 4.340 -0.000 0.000 0.274 146 L C -0.896 176.239 176.870 0.442 0.000 0.988 146 L CA -0.258 54.775 54.840 0.321 0.000 0.824 146 L CB 1.922 44.140 42.059 0.264 0.000 1.263 146 L HN 0.481 nan 8.230 nan 0.000 0.410 147 V N 3.741 123.895 119.914 0.399 0.000 2.656 147 V HA 0.685 4.805 4.120 -0.000 0.000 0.307 147 V C -0.099 176.244 176.094 0.415 0.000 1.051 147 V CA -0.492 62.021 62.300 0.355 0.000 0.893 147 V CB 2.068 34.018 31.823 0.212 0.000 0.999 147 V HN 0.917 nan 8.190 nan 0.000 0.426 148 S N 5.443 121.413 115.700 0.448 0.000 2.548 148 S HA 0.926 5.396 4.470 -0.000 0.000 0.286 148 S C -0.790 174.003 174.600 0.323 0.000 1.098 148 S CA -0.781 57.696 58.200 0.461 0.000 0.930 148 S CB 2.428 66.046 63.200 0.696 0.000 1.070 148 S HN 0.915 nan 8.310 nan 0.000 0.480 149 M N 1.036 120.790 119.600 0.257 0.000 2.691 149 M HA 0.683 5.163 4.480 -0.000 0.000 0.293 149 M C -2.016 174.517 176.300 0.388 0.000 1.259 149 M CA -0.615 54.839 55.300 0.255 0.000 0.827 149 M CB 0.991 33.596 32.600 0.009 0.000 1.753 149 M HN 0.571 nan 8.290 nan 0.000 0.465 150 N N 1.561 120.546 118.700 0.476 0.000 2.399 150 N HA 0.677 5.417 4.740 -0.000 0.000 0.295 150 N C -1.713 174.051 175.510 0.423 0.000 1.048 150 N CA 0.001 53.319 53.050 0.447 0.000 0.886 150 N CB 1.007 39.692 38.487 0.330 0.000 1.185 150 N HN 0.679 nan 8.380 nan 0.000 0.487 151 Y N -1.185 119.278 120.300 0.271 0.000 2.477 151 Y HA 0.595 5.145 4.550 -0.000 0.000 0.347 151 Y C 0.036 176.064 175.900 0.213 0.000 0.981 151 Y CA -1.315 56.898 58.100 0.189 0.000 1.033 151 Y CB 0.944 39.456 38.460 0.087 0.000 1.245 151 Y HN 0.188 nan 8.280 nan 0.000 0.455 152 R N 1.971 122.598 120.500 0.212 0.000 2.640 152 R HA 0.434 4.774 4.340 -0.000 0.000 0.270 152 R C -0.211 176.244 176.300 0.258 0.000 1.024 152 R CA 0.055 56.240 56.100 0.142 0.000 1.085 152 R CB 0.614 30.958 30.300 0.074 0.000 0.963 152 R HN 0.735 nan 8.270 nan 0.000 0.426 153 V N -0.769 119.328 119.914 0.304 0.000 3.164 153 V HA 0.898 5.018 4.120 -0.000 0.000 0.313 153 V C 0.652 177.063 176.094 0.529 0.000 1.188 153 V CA -0.166 62.441 62.300 0.511 0.000 1.058 153 V CB 1.197 33.238 31.823 0.363 0.000 1.110 153 V HN 0.990 nan 8.190 nan 0.000 0.453 154 G N 0.384 109.542 108.800 0.596 0.000 2.575 154 G HA2 0.052 4.012 3.960 -0.000 0.000 0.267 154 G HA3 0.052 4.012 3.960 -0.000 0.000 0.267 154 G C 0.989 176.054 174.900 0.276 0.000 1.264 154 G CA 0.999 46.389 45.100 0.483 0.000 0.935 154 G HN 2.243 nan 8.290 nan 0.000 0.568 155 A N -1.379 121.319 122.820 -0.204 0.000 1.933 155 A HA 0.243 4.563 4.320 -0.000 0.000 0.218 155 A C 2.237 179.698 177.584 -0.205 0.000 1.175 155 A CA 2.499 54.089 52.037 -0.745 0.000 0.628 155 A CB -0.509 17.871 19.000 -1.033 0.000 0.814 155 A HN 0.993 nan 8.150 nan 0.000 0.444 156 F N 0.092 120.062 119.950 0.033 0.000 2.192 156 F HA -0.101 4.426 4.527 -0.000 0.000 0.301 156 F C 2.353 178.121 175.800 -0.053 0.000 1.079 156 F CA 1.363 59.326 58.000 -0.061 0.000 1.303 156 F CB -0.497 38.460 39.000 -0.073 0.000 1.024 156 F HN 0.312 nan 8.300 nan 0.000 0.494 157 G N -3.152 105.695 108.800 0.079 0.000 2.944 157 G HA2 0.112 4.072 3.960 -0.000 0.000 0.223 157 G HA3 0.112 4.072 3.960 -0.000 0.000 0.223 157 G C 0.796 175.218 174.900 -0.798 0.000 1.071 157 G CA 0.057 44.972 45.100 -0.308 0.000 0.806 157 G HN 0.304 nan 8.290 nan 0.000 0.538 158 F N -0.168 119.863 119.950 0.136 0.000 2.871 158 F HA 0.437 4.964 4.527 -0.000 0.000 0.344 158 F C 0.629 176.489 175.800 0.101 0.000 1.078 158 F CA -0.949 57.115 58.000 0.106 0.000 1.149 158 F CB 0.438 39.527 39.000 0.150 0.000 1.087 158 F HN -0.068 nan 8.300 nan 0.000 0.557 159 L N 2.109 123.332 121.223 -0.001 0.000 2.513 159 L HA 0.498 4.838 4.340 -0.000 0.000 0.272 159 L C -0.106 176.720 176.870 -0.073 0.000 1.187 159 L CA -0.061 54.682 54.840 -0.160 0.000 0.895 159 L CB 0.379 42.015 42.059 -0.705 0.000 1.147 159 L HN 0.116 nan 8.230 nan 0.000 0.483 160 A N 5.537 128.376 122.820 0.031 0.000 2.435 160 A HA 0.720 5.040 4.320 -0.000 0.000 0.304 160 A C -1.235 176.326 177.584 -0.038 0.000 1.064 160 A CA -0.588 51.437 52.037 -0.020 0.000 0.727 160 A CB 1.610 20.630 19.000 0.033 0.000 1.284 160 A HN 0.602 nan 8.150 nan 0.000 0.415 161 L N 2.522 123.706 121.223 -0.065 0.000 2.556 161 L HA 0.368 4.708 4.340 -0.000 0.000 0.243 161 L C -2.505 174.345 176.870 -0.034 0.000 1.331 161 L CA -1.638 53.168 54.840 -0.057 0.000 0.927 161 L CB 0.764 42.770 42.059 -0.090 0.000 1.219 161 L HN 0.374 nan 8.230 nan 0.000 0.490 162 P HA 0.028 nan 4.420 nan 0.000 0.258 162 P C 1.033 178.328 177.300 -0.008 0.000 1.136 162 P CA 1.640 64.735 63.100 -0.008 0.000 0.761 162 P CB 0.363 32.059 31.700 -0.006 0.000 0.724 163 G N 2.030 110.829 108.800 -0.002 0.000 2.258 163 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.233 163 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.233 163 G C 0.354 175.252 174.900 -0.003 0.000 1.006 163 G CA 0.191 45.291 45.100 -0.001 0.000 0.620 163 G HN 0.819 nan 8.290 nan 0.000 0.511 164 S N -0.101 115.594 115.700 -0.010 0.000 2.601 164 S HA 0.657 5.127 4.470 -0.000 0.000 0.271 164 S C 1.109 175.708 174.600 -0.002 0.000 1.305 164 S CA 0.070 58.264 58.200 -0.011 0.000 1.022 164 S CB 1.806 64.990 63.200 -0.026 0.000 0.940 164 S HN 0.391 nan 8.310 nan 0.000 0.525 165 R N 0.449 120.951 120.500 0.004 0.000 2.246 165 R HA 0.060 4.400 4.340 -0.000 0.000 0.199 165 R C 1.272 177.584 176.300 0.020 0.000 0.984 165 R CA 0.681 56.790 56.100 0.014 0.000 1.015 165 R CB -0.109 30.200 30.300 0.016 0.000 0.930 165 R HN 0.689 nan 8.270 nan 0.000 0.475 166 E N 0.323 120.529 120.200 0.011 0.000 2.112 166 E HA 0.034 4.384 4.350 -0.000 0.000 0.190 166 E C 0.144 176.757 176.600 0.022 0.000 0.979 166 E CA 0.899 57.312 56.400 0.023 0.000 0.814 166 E CB 0.491 30.196 29.700 0.008 0.000 0.762 166 E HN 0.195 nan 8.360 nan 0.000 0.460 167 A N 0.488 123.289 122.820 -0.032 0.000 3.370 167 A HA 0.273 4.593 4.320 -0.000 0.000 0.295 167 A C -2.075 175.479 177.584 -0.050 0.000 1.030 167 A CA -0.983 51.006 52.037 -0.080 0.000 0.883 167 A CB 0.408 19.244 19.000 -0.273 0.000 1.191 167 A HN -0.062 nan 8.150 nan 0.000 0.507 168 P HA 0.051 nan 4.420 nan 0.000 0.216 168 P C 0.944 178.248 177.300 0.008 0.000 1.153 168 P CA 2.122 65.226 63.100 0.008 0.000 0.848 168 P CB 0.155 31.872 31.700 0.028 0.000 0.787 169 G N -0.336 108.467 108.800 0.006 0.000 2.619 169 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.686 169 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.686 169 G C -0.222 174.673 174.900 -0.008 0.000 1.256 169 G CA -0.252 44.855 45.100 0.012 0.000 0.826 169 G HN 0.167 nan 8.290 nan 0.000 0.619 170 N N -2.337 116.353 118.700 -0.017 0.000 2.828 170 N HA -0.282 4.458 4.740 -0.000 0.000 0.248 170 N C 1.896 177.285 175.510 -0.201 0.000 1.044 170 N CA 2.348 55.341 53.050 -0.094 0.000 0.851 170 N CB -1.720 36.678 38.487 -0.147 0.000 1.136 170 N HN 1.856 nan 8.380 nan 0.000 0.572 171 V N -2.755 117.034 119.914 -0.208 0.000 2.720 171 V HA -0.017 4.103 4.120 -0.000 0.000 0.256 171 V C 2.341 178.323 176.094 -0.187 0.000 1.082 171 V CA 2.197 64.419 62.300 -0.130 0.000 1.101 171 V CB -0.919 30.864 31.823 -0.067 0.000 0.693 171 V HN 0.303 nan 8.190 nan 0.000 0.479 172 G N 0.684 109.178 108.800 -0.509 0.000 2.408 172 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 172 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 172 G C 1.505 176.389 174.900 -0.027 0.000 1.150 172 G CA 1.041 45.940 45.100 -0.334 0.000 0.776 172 G HN 0.544 nan 8.290 nan 0.000 0.542 173 L N 0.040 121.202 121.223 -0.102 0.000 2.313 173 L HA 0.169 4.509 4.340 -0.000 0.000 0.214 173 L C 2.668 179.568 176.870 0.051 0.000 1.119 173 L CA 0.082 54.824 54.840 -0.163 0.000 0.809 173 L CB -0.161 41.478 42.059 -0.700 0.000 0.933 173 L HN 0.163 nan 8.230 nan 0.000 0.449 174 L N -0.649 120.614 121.223 0.066 0.000 2.156 174 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 174 L C 2.090 179.069 176.870 0.182 0.000 1.095 174 L CA 0.815 55.761 54.840 0.176 0.000 0.770 174 L CB -0.525 41.614 42.059 0.134 0.000 0.914 174 L HN 0.285 nan 8.230 nan 0.000 0.439 175 D N 0.061 120.564 120.400 0.172 0.000 2.097 175 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 175 D C 2.214 178.643 176.300 0.216 0.000 0.989 175 D CA 1.133 55.300 54.000 0.280 0.000 0.827 175 D CB -0.192 40.799 40.800 0.319 0.000 0.966 175 D HN 0.342 nan 8.370 nan 0.000 0.456 176 Q N 0.244 120.129 119.800 0.142 0.000 2.045 176 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 176 Q C 2.320 178.321 176.000 0.002 0.000 0.991 176 Q CA 1.459 57.277 55.803 0.025 0.000 0.851 176 Q CB -0.095 28.663 28.738 0.033 0.000 0.911 176 Q HN 0.198 nan 8.270 nan 0.000 0.418 177 R N 0.430 121.035 120.500 0.175 0.000 2.073 177 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 177 R C 2.269 178.615 176.300 0.076 0.000 1.134 177 R CA 1.239 57.434 56.100 0.157 0.000 0.952 177 R CB -0.357 30.119 30.300 0.294 0.000 0.850 177 R HN 0.244 nan 8.270 nan 0.000 0.433 178 L N 1.001 122.287 121.223 0.106 0.000 2.081 178 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 178 L C 2.253 179.118 176.870 -0.008 0.000 1.080 178 L CA 2.206 57.119 54.840 0.123 0.000 0.754 178 L CB -0.782 41.430 42.059 0.256 0.000 0.893 178 L HN 0.308 nan 8.230 nan 0.000 0.433 179 A N -0.766 121.861 122.820 -0.322 0.000 1.898 179 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 179 A C 2.256 179.774 177.584 -0.109 0.000 1.181 179 A CA 1.793 53.490 52.037 -0.566 0.000 0.620 179 A CB -0.813 17.654 19.000 -0.889 0.000 0.819 179 A HN 0.499 nan 8.150 nan 0.000 0.442 180 L N -0.741 120.435 121.223 -0.077 0.000 2.131 180 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 180 L C 2.830 179.747 176.870 0.079 0.000 1.092 180 L CA 1.401 56.241 54.840 -0.000 0.000 0.759 180 L CB -0.540 41.477 42.059 -0.070 0.000 0.903 180 L HN 0.507 nan 8.230 nan 0.000 0.435 181 Q N -1.308 118.546 119.800 0.091 0.000 2.123 181 Q HA -0.244 4.096 4.340 -0.000 0.000 0.199 181 Q C 2.014 178.102 176.000 0.146 0.000 0.966 181 Q CA 1.765 57.633 55.803 0.107 0.000 0.845 181 Q CB -0.282 28.521 28.738 0.109 0.000 0.907 181 Q HN 0.581 nan 8.270 nan 0.000 0.439 182 W N 0.745 122.047 121.300 0.004 0.000 2.374 182 W HA -0.186 4.474 4.660 -0.000 0.000 0.288 182 W C 1.708 178.254 176.519 0.044 0.000 1.218 182 W CA 1.078 58.447 57.345 0.040 0.000 1.245 182 W CB 0.091 29.571 29.460 0.033 0.000 1.126 182 W HN -0.164 nan 8.180 nan 0.000 0.545 183 V N 0.846 120.998 119.914 0.396 0.000 2.427 183 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 183 V C 2.465 178.596 176.094 0.062 0.000 1.051 183 V CA 1.830 64.299 62.300 0.280 0.000 1.048 183 V CB -0.808 31.172 31.823 0.263 0.000 0.666 183 V HN 0.189 nan 8.190 nan 0.000 0.456 184 Q N -0.209 119.622 119.800 0.052 0.000 2.167 184 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 184 Q C 2.222 178.196 176.000 -0.043 0.000 0.970 184 Q CA 1.619 57.437 55.803 0.024 0.000 0.855 184 Q CB -0.075 28.686 28.738 0.038 0.000 0.911 184 Q HN 0.809 nan 8.270 nan 0.000 0.438 185 E N -0.491 119.638 120.200 -0.120 0.000 2.340 185 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 185 E C 0.850 177.278 176.600 -0.286 0.000 0.996 185 E CA 0.341 56.633 56.400 -0.180 0.000 0.869 185 E CB 0.424 30.017 29.700 -0.179 0.000 0.835 185 E HN 0.230 nan 8.360 nan 0.000 0.493 186 N N -0.053 118.370 118.700 -0.462 0.000 2.239 186 N HA -0.026 4.714 4.740 -0.000 0.000 0.208 186 N C 1.464 176.866 175.510 -0.181 0.000 1.200 186 N CA 0.182 52.929 53.050 -0.505 0.000 0.895 186 N CB 0.830 38.629 38.487 -1.148 0.000 1.085 186 N HN -0.029 nan 8.380 nan 0.000 0.500 187 V N 2.041 121.909 119.914 -0.075 0.000 2.546 187 V HA -0.205 3.915 4.120 -0.000 0.000 0.254 187 V C 2.297 178.525 176.094 0.224 0.000 1.076 187 V CA 2.023 64.428 62.300 0.175 0.000 1.087 187 V CB -0.584 31.326 31.823 0.144 0.000 0.674 187 V HN 0.294 nan 8.190 nan 0.000 0.470 188 A N -0.190 122.674 122.820 0.074 0.000 1.972 188 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 188 A C 2.385 179.964 177.584 -0.009 0.000 1.169 188 A CA 1.822 53.878 52.037 0.032 0.000 0.635 188 A CB -0.834 18.153 19.000 -0.022 0.000 0.810 188 A HN 0.825 nan 8.150 nan 0.000 0.446 189 A N -1.642 121.123 122.820 -0.091 0.000 2.186 189 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 189 A C 1.155 178.376 177.584 -0.605 0.000 1.159 189 A CA 1.202 53.012 52.037 -0.378 0.000 0.680 189 A CB -0.665 17.991 19.000 -0.572 0.000 0.787 189 A HN 0.529 nan 8.150 nan 0.000 0.467 190 F N -1.796 118.104 119.950 -0.084 0.000 2.698 190 F HA 0.440 4.967 4.527 -0.000 0.000 0.304 190 F C 1.568 177.361 175.800 -0.011 0.000 1.108 190 F CA -0.018 57.942 58.000 -0.067 0.000 1.263 190 F CB 0.112 39.073 39.000 -0.064 0.000 1.013 190 F HN 0.239 nan 8.300 nan 0.000 0.532 191 G N 0.371 109.237 108.800 0.111 0.000 2.159 191 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.256 191 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.256 191 G C 0.691 175.651 174.900 0.100 0.000 0.977 191 G CA -0.213 44.935 45.100 0.080 0.000 0.652 191 G HN 0.771 nan 8.290 nan 0.000 0.531 192 G N -0.364 108.523 108.800 0.145 0.000 2.467 192 G HA2 0.457 4.417 3.960 -0.000 0.000 0.257 192 G HA3 0.457 4.417 3.960 -0.000 0.000 0.257 192 G C -0.564 174.388 174.900 0.086 0.000 1.227 192 G CA 0.432 45.609 45.100 0.128 0.000 0.835 192 G HN 0.302 nan 8.290 nan 0.000 0.556 193 D N 1.749 122.192 120.400 0.071 0.000 2.427 193 D HA 0.295 4.935 4.640 -0.000 0.000 0.226 193 D C -1.058 175.280 176.300 0.064 0.000 1.076 193 D CA -2.428 51.599 54.000 0.044 0.000 0.849 193 D CB 1.888 42.697 40.800 0.014 0.000 1.052 193 D HN 0.093 nan 8.370 nan 0.000 0.515 194 P HA -0.095 nan 4.420 nan 0.000 0.228 194 P C 0.798 178.203 177.300 0.176 0.000 1.151 194 P CA 0.813 63.984 63.100 0.117 0.000 0.770 194 P CB -0.013 31.733 31.700 0.076 0.000 0.786 195 T N -4.975 109.605 114.554 0.043 0.000 3.144 195 T HA 0.172 4.522 4.350 -0.000 0.000 0.249 195 T C 0.760 175.112 174.700 -0.580 0.000 1.089 195 T CA -0.185 61.841 62.100 -0.123 0.000 0.989 195 T CB -0.480 68.317 68.868 -0.119 0.000 0.992 195 T HN -0.011 nan 8.240 nan 0.000 0.540 196 S N 0.997 116.560 115.700 -0.229 0.000 2.317 196 S HA 0.503 4.973 4.470 -0.000 0.000 0.144 196 S C -0.931 173.771 174.600 0.171 0.000 1.660 196 S CA -0.572 57.520 58.200 -0.180 0.000 1.273 196 S CB 0.107 63.231 63.200 -0.127 0.000 1.330 196 S HN 0.250 nan 8.310 nan 0.000 0.395 197 V N 3.332 123.590 119.914 0.573 0.000 2.357 197 V HA 0.526 4.646 4.120 -0.000 0.000 0.284 197 V C 0.247 176.539 176.094 0.331 0.000 1.018 197 V CA -0.487 62.029 62.300 0.360 0.000 0.841 197 V CB 1.502 33.491 31.823 0.278 0.000 0.991 197 V HN 0.642 nan 8.190 nan 0.000 0.437 198 T N 6.711 121.411 114.554 0.244 0.000 2.771 198 T HA 0.604 4.954 4.350 -0.000 0.000 0.281 198 T C -0.205 174.673 174.700 0.297 0.000 0.982 198 T CA -0.296 61.953 62.100 0.249 0.000 0.978 198 T CB 0.822 69.780 68.868 0.151 0.000 0.930 198 T HN 0.358 nan 8.240 nan 0.000 0.447 199 L N 4.847 126.245 121.223 0.292 0.000 2.334 199 L HA 0.721 5.061 4.340 -0.000 0.000 0.277 199 L C -0.599 176.507 176.870 0.393 0.000 1.075 199 L CA -0.935 54.042 54.840 0.227 0.000 0.804 199 L CB 0.675 42.667 42.059 -0.112 0.000 1.174 199 L HN 0.658 nan 8.230 nan 0.000 0.438 200 F N 0.591 120.627 119.950 0.143 0.000 2.588 200 F HA 0.891 5.418 4.527 -0.000 0.000 0.314 200 F C -0.460 175.420 175.800 0.133 0.000 1.134 200 F CA -1.087 57.053 58.000 0.233 0.000 0.961 200 F CB 1.300 40.553 39.000 0.422 0.000 1.239 200 F HN 0.439 nan 8.300 nan 0.000 0.448 201 G N 2.474 111.196 108.800 -0.131 0.000 2.684 201 G HA2 0.529 4.489 3.960 -0.000 0.000 0.290 201 G HA3 0.529 4.489 3.960 -0.000 0.000 0.290 201 G C -2.600 172.115 174.900 -0.309 0.000 1.425 201 G CA -0.839 43.829 45.100 -0.720 0.000 0.822 201 G HN 0.835 nan 8.290 nan 0.000 0.482 202 Q N 0.231 119.770 119.800 -0.435 0.000 2.377 202 Q HA 0.629 4.969 4.340 -0.000 0.000 0.271 202 Q C 0.685 176.618 176.000 -0.113 0.000 1.077 202 Q CA 0.342 56.101 55.803 -0.073 0.000 0.820 202 Q CB 1.962 30.776 28.738 0.125 0.000 1.347 202 Q HN 1.288 nan 8.270 nan 0.000 0.444 203 S N 2.221 117.928 115.700 0.013 0.000 4.054 203 S HA -0.377 4.093 4.470 -0.000 0.000 0.618 203 S C 1.219 175.890 174.600 0.119 0.000 2.026 203 S CA 2.368 60.635 58.200 0.112 0.000 4.205 203 S CB -1.648 61.556 63.200 0.007 0.000 0.233 203 S HN 1.208 nan 8.310 nan 0.000 0.612 204 A N 1.002 123.776 122.820 -0.077 0.000 2.024 204 A HA 0.158 4.478 4.320 -0.000 0.000 0.220 204 A C 2.506 179.865 177.584 -0.375 0.000 1.164 204 A CA 2.382 54.220 52.037 -0.331 0.000 0.643 204 A CB -1.610 16.711 19.000 -1.132 0.000 0.806 204 A HN 1.670 nan 8.150 nan 0.000 0.451 205 G N -0.832 107.773 108.800 -0.326 0.000 2.421 205 G HA2 0.093 4.053 3.960 -0.000 0.000 0.217 205 G HA3 0.093 4.053 3.960 -0.000 0.000 0.217 205 G C 1.626 176.359 174.900 -0.278 0.000 1.143 205 G CA 1.122 45.976 45.100 -0.410 0.000 0.784 205 G HN 0.738 nan 8.290 nan 0.000 0.541 206 A N 1.010 123.748 122.820 -0.137 0.000 1.930 206 A HA 0.452 4.772 4.320 -0.000 0.000 0.215 206 A C 2.748 180.343 177.584 0.017 0.000 1.176 206 A CA 1.759 53.779 52.037 -0.028 0.000 0.632 206 A CB -0.573 18.466 19.000 0.064 0.000 0.819 206 A HN 0.619 nan 8.150 nan 0.000 0.445 207 A N -0.191 122.675 122.820 0.076 0.000 1.902 207 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 207 A C 2.430 180.048 177.584 0.057 0.000 1.181 207 A CA 2.068 54.157 52.037 0.086 0.000 0.623 207 A CB -0.848 18.273 19.000 0.201 0.000 0.818 207 A HN 0.441 nan 8.150 nan 0.000 0.443 208 S N -0.259 115.466 115.700 0.042 0.000 2.353 208 S HA -0.156 4.314 4.470 -0.000 0.000 0.222 208 S C 1.926 176.544 174.600 0.030 0.000 1.035 208 S CA 1.485 59.676 58.200 -0.015 0.000 1.025 208 S CB -0.678 62.440 63.200 -0.136 0.000 0.902 208 S HN 0.356 nan 8.310 nan 0.000 0.440 209 V N 1.908 121.824 119.914 0.003 0.000 2.252 209 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 209 V C 2.670 178.787 176.094 0.038 0.000 1.056 209 V CA 2.117 64.415 62.300 -0.004 0.000 1.022 209 V CB -1.634 30.164 31.823 -0.042 0.000 0.641 209 V HN 0.616 nan 8.190 nan 0.000 0.445 210 G N -1.244 107.573 108.800 0.027 0.000 2.462 210 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 210 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 210 G C 1.565 176.501 174.900 0.060 0.000 1.121 210 G CA 1.068 46.186 45.100 0.031 0.000 0.758 210 G HN 0.480 nan 8.290 nan 0.000 0.559 211 M N -0.620 119.009 119.600 0.047 0.000 2.388 211 M HA 0.114 4.594 4.480 -0.000 0.000 0.265 211 M C 2.146 178.559 176.300 0.188 0.000 1.088 211 M CA 0.539 55.895 55.300 0.094 0.000 1.134 211 M CB -0.066 32.535 32.600 0.002 0.000 1.384 211 M HN 0.178 nan 8.290 nan 0.000 0.447 212 H N 0.071 119.243 119.070 0.170 0.000 2.462 212 H HA 0.012 4.568 4.556 -0.000 0.000 0.292 212 H C 2.108 177.577 175.328 0.235 0.000 1.049 212 H CA 1.184 57.311 56.048 0.133 0.000 1.334 212 H CB 0.020 29.681 29.762 -0.168 0.000 1.404 212 H HN 0.367 nan 8.280 nan 0.000 0.544 213 L N 0.390 121.826 121.223 0.354 0.000 2.093 213 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 213 L C 1.866 178.910 176.870 0.291 0.000 1.085 213 L CA 0.763 55.844 54.840 0.402 0.000 0.755 213 L CB -0.027 42.188 42.059 0.261 0.000 0.904 213 L HN 0.181 nan 8.230 nan 0.000 0.435 214 L N -1.939 119.409 121.223 0.210 0.000 2.592 214 L HA 0.086 4.426 4.340 -0.000 0.000 0.227 214 L C 0.869 177.788 176.870 0.081 0.000 1.127 214 L CA -0.058 54.881 54.840 0.165 0.000 0.884 214 L CB 0.171 42.312 42.059 0.136 0.000 1.065 214 L HN 0.006 nan 8.230 nan 0.000 0.457 215 S N -0.038 115.681 115.700 0.032 0.000 2.601 215 S HA 0.335 4.805 4.470 -0.000 0.000 0.312 215 S C -1.661 172.868 174.600 -0.118 0.000 1.107 215 S CA -1.522 56.573 58.200 -0.174 0.000 1.129 215 S CB 1.077 63.882 63.200 -0.659 0.000 0.982 215 S HN -0.123 nan 8.310 nan 0.000 0.469 216 P HA -0.148 nan 4.420 nan 0.000 0.219 216 P C -1.652 175.621 177.300 -0.046 0.000 1.158 216 P CA 1.581 64.654 63.100 -0.045 0.000 0.895 216 P CB -0.655 31.014 31.700 -0.051 0.000 0.792 217 P HA -0.083 nan 4.420 nan 0.000 0.219 217 P C 1.427 178.725 177.300 -0.002 0.000 1.146 217 P CA 1.604 64.667 63.100 -0.062 0.000 0.808 217 P CB -0.385 31.249 31.700 -0.109 0.000 0.779 218 S N -1.111 114.603 115.700 0.024 0.000 2.470 218 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 218 S C 1.752 176.520 174.600 0.280 0.000 1.006 218 S CA 0.384 58.698 58.200 0.191 0.000 0.934 218 S CB -0.394 63.018 63.200 0.353 0.000 0.778 218 S HN 0.062 nan 8.310 nan 0.000 0.517 219 R N 1.383 121.980 120.500 0.161 0.000 2.170 219 R HA -0.040 4.300 4.340 -0.000 0.000 0.242 219 R C 1.875 178.102 176.300 -0.122 0.000 1.145 219 R CA 1.023 57.129 56.100 0.009 0.000 0.984 219 R CB -1.253 29.028 30.300 -0.031 0.000 0.869 219 R HN 0.447 nan 8.270 nan 0.000 0.455 220 G N -0.468 108.312 108.800 -0.033 0.000 3.314 220 G HA2 0.168 4.128 3.960 -0.000 0.000 0.238 220 G HA3 0.168 4.128 3.960 -0.000 0.000 0.238 220 G C 0.996 175.871 174.900 -0.042 0.000 1.184 220 G CA -0.278 44.787 45.100 -0.058 0.000 0.806 220 G HN 0.198 nan 8.290 nan 0.000 0.536 221 L N -0.563 120.674 121.223 0.024 0.000 2.766 221 L HA 0.419 4.759 4.340 -0.000 0.000 0.242 221 L C 0.027 176.960 176.870 0.104 0.000 1.136 221 L CA -0.255 54.636 54.840 0.086 0.000 0.933 221 L CB 0.108 42.251 42.059 0.140 0.000 1.241 221 L HN 0.289 nan 8.230 nan 0.000 0.522 222 F N -3.905 115.823 119.950 -0.369 0.000 2.779 222 F HA 0.480 5.007 4.527 -0.000 0.000 0.316 222 F C 0.320 175.705 175.800 -0.693 0.000 1.164 222 F CA -1.088 56.634 58.000 -0.464 0.000 0.924 222 F CB 0.756 39.662 39.000 -0.157 0.000 1.348 222 F HN -0.135 nan 8.300 nan 0.000 0.467 223 H N -0.924 118.122 119.070 -0.040 0.000 3.643 223 H HA 0.438 4.994 4.556 -0.000 0.000 0.256 223 H C -0.304 174.987 175.328 -0.062 0.000 1.107 223 H CA -0.101 55.860 56.048 -0.145 0.000 1.175 223 H CB 1.075 30.792 29.762 -0.075 0.000 1.519 223 H HN 0.428 nan 8.280 nan 0.000 0.565 224 R N 0.487 121.116 120.500 0.215 0.000 2.740 224 R HA 0.735 5.075 4.340 -0.000 0.000 0.273 224 R C -1.288 175.268 176.300 0.427 0.000 0.998 224 R CA -0.716 55.520 56.100 0.226 0.000 0.900 224 R CB 2.892 33.191 30.300 -0.003 0.000 1.223 224 R HN 0.108 nan 8.270 nan 0.000 0.466 225 A N 1.303 124.380 122.820 0.428 0.000 2.435 225 A HA 0.727 5.047 4.320 -0.000 0.000 0.304 225 A C -1.249 176.499 177.584 0.273 0.000 1.064 225 A CA -0.667 51.580 52.037 0.350 0.000 0.727 225 A CB 1.918 21.102 19.000 0.308 0.000 1.284 225 A HN 0.329 nan 8.150 nan 0.000 0.415 226 V N 2.615 122.658 119.914 0.214 0.000 2.447 226 V HA 0.379 4.499 4.120 -0.000 0.000 0.292 226 V C -1.216 174.980 176.094 0.170 0.000 1.021 226 V CA -0.226 62.147 62.300 0.122 0.000 0.850 226 V CB 1.063 32.971 31.823 0.141 0.000 1.005 226 V HN 0.688 nan 8.190 nan 0.000 0.426 227 L N 5.281 126.568 121.223 0.107 0.000 2.280 227 L HA 0.534 4.874 4.340 -0.000 0.000 0.287 227 L C 0.192 177.164 176.870 0.170 0.000 1.023 227 L CA 0.123 55.027 54.840 0.107 0.000 0.819 227 L CB 1.342 43.425 42.059 0.041 0.000 1.212 227 L HN 0.613 nan 8.230 nan 0.000 0.420 228 Q N 2.075 122.019 119.800 0.241 0.000 2.347 228 Q HA 0.410 4.750 4.340 -0.000 0.000 0.262 228 Q C 0.077 176.208 176.000 0.219 0.000 0.980 228 Q CA -0.592 55.407 55.803 0.328 0.000 0.867 228 Q CB 1.365 30.390 28.738 0.478 0.000 1.242 228 Q HN 0.623 nan 8.270 nan 0.000 0.453 229 S N 1.245 117.067 115.700 0.204 0.000 3.477 229 S HA -0.157 4.313 4.470 -0.000 0.000 0.371 229 S C 0.041 174.841 174.600 0.333 0.000 0.965 229 S CA 0.567 58.916 58.200 0.247 0.000 1.239 229 S CB -1.176 62.162 63.200 0.231 0.000 0.918 229 S HN 1.001 nan 8.310 nan 0.000 0.498 230 G N -1.019 107.943 108.800 0.270 0.000 2.429 230 G HA2 0.710 4.670 3.960 -0.000 0.000 0.300 230 G HA3 0.710 4.670 3.960 -0.000 0.000 0.300 230 G C -1.220 173.808 174.900 0.214 0.000 1.598 230 G CA 0.154 45.483 45.100 0.382 0.000 0.863 230 G HN 1.196 nan 8.290 nan 0.000 0.614 231 A N 2.588 125.509 122.820 0.167 0.000 2.549 231 A HA 0.942 5.262 4.320 -0.000 0.000 0.297 231 A C -1.826 175.670 177.584 -0.145 0.000 1.061 231 A CA -1.126 50.906 52.037 -0.008 0.000 0.690 231 A CB 2.244 21.215 19.000 -0.048 0.000 1.287 231 A HN 0.491 nan 8.150 nan 0.000 0.402 232 P HA -0.159 nan 4.420 nan 0.000 0.221 232 P C 0.493 177.642 177.300 -0.252 0.000 1.145 232 P CA 1.542 64.538 63.100 -0.173 0.000 0.795 232 P CB 0.001 31.650 31.700 -0.086 0.000 0.775 233 N N -0.130 118.434 118.700 -0.227 0.000 2.322 233 N HA 0.042 4.782 4.740 -0.000 0.000 0.194 233 N C 0.910 176.218 175.510 -0.336 0.000 1.126 233 N CA -0.020 52.891 53.050 -0.231 0.000 0.845 233 N CB -1.040 37.362 38.487 -0.143 0.000 0.976 233 N HN -0.062 nan 8.380 nan 0.000 0.475 234 G N 1.690 110.179 108.800 -0.519 0.000 2.491 234 G HA2 0.161 4.121 3.960 -0.000 0.000 0.238 234 G HA3 0.161 4.121 3.960 -0.000 0.000 0.238 234 G C -1.183 173.246 174.900 -0.785 0.000 1.277 234 G CA -0.916 43.758 45.100 -0.710 0.000 0.851 234 G HN 0.090 nan 8.290 nan 0.000 0.573 235 P HA -0.082 nan 4.420 nan 0.000 0.228 235 P C 1.063 178.169 177.300 -0.323 0.000 1.151 235 P CA 1.222 64.086 63.100 -0.393 0.000 0.770 235 P CB 0.102 31.597 31.700 -0.341 0.000 0.786 236 W N -1.748 119.410 121.300 -0.237 0.000 3.058 236 W HA 0.546 5.206 4.660 -0.000 0.000 0.306 236 W C 1.353 177.897 176.519 0.041 0.000 1.188 236 W CA 0.381 57.645 57.345 -0.136 0.000 1.651 236 W CB -1.078 28.293 29.460 -0.148 0.000 1.051 236 W HN -0.136 nan 8.180 nan 0.000 0.592 237 A N 1.932 124.197 122.820 -0.926 0.000 1.929 237 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 237 A C 1.340 178.708 177.584 -0.359 0.000 1.176 237 A CA 2.124 53.759 52.037 -0.671 0.000 0.628 237 A CB -0.956 17.460 19.000 -0.974 0.000 0.816 237 A HN 0.250 nan 8.150 nan 0.000 0.444 238 T N -4.848 109.512 114.554 -0.324 0.000 2.887 238 T HA 0.636 4.986 4.350 -0.000 0.000 0.292 238 T C -0.918 173.676 174.700 -0.176 0.000 1.087 238 T CA -0.636 61.313 62.100 -0.252 0.000 1.009 238 T CB 1.664 70.401 68.868 -0.218 0.000 1.203 238 T HN 0.472 nan 8.240 nan 0.000 0.518 239 V N 0.057 119.886 119.914 -0.141 0.000 2.888 239 V HA 0.771 4.891 4.120 -0.000 0.000 0.309 239 V C 0.485 176.532 176.094 -0.078 0.000 1.114 239 V CA -0.268 61.971 62.300 -0.101 0.000 0.940 239 V CB 1.992 33.760 31.823 -0.091 0.000 1.021 239 V HN 1.404 nan 8.190 nan 0.000 0.426 240 G N 3.621 112.383 108.800 -0.063 0.000 2.539 240 G HA2 0.381 4.341 3.960 -0.000 0.000 0.258 240 G HA3 0.381 4.341 3.960 -0.000 0.000 0.258 240 G C 0.778 175.657 174.900 -0.035 0.000 1.202 240 G CA -0.467 44.604 45.100 -0.047 0.000 0.851 240 G HN 0.799 nan 8.290 nan 0.000 0.556 241 M N 1.346 120.931 119.600 -0.026 0.000 2.144 241 M HA -0.114 4.366 4.480 -0.000 0.000 0.260 241 M C 2.676 178.965 176.300 -0.019 0.000 1.067 241 M CA 1.802 57.092 55.300 -0.017 0.000 1.095 241 M CB -0.447 32.145 32.600 -0.013 0.000 1.365 241 M HN 0.681 nan 8.290 nan 0.000 0.406 242 G N 0.038 108.825 108.800 -0.023 0.000 2.604 242 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 242 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 242 G C 1.358 176.243 174.900 -0.025 0.000 1.265 242 G CA 0.694 45.781 45.100 -0.022 0.000 0.804 242 G HN 0.313 nan 8.290 nan 0.000 0.579 243 E N 0.857 121.037 120.200 -0.032 0.000 2.086 243 E HA -0.232 4.118 4.350 -0.000 0.000 0.200 243 E C 2.960 179.536 176.600 -0.040 0.000 1.012 243 E CA 1.293 57.668 56.400 -0.041 0.000 0.812 243 E CB -0.768 28.899 29.700 -0.054 0.000 0.743 243 E HN 0.282 nan 8.360 nan 0.000 0.453 244 A N 1.797 124.599 122.820 -0.030 0.000 1.881 244 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 244 A C 2.180 179.772 177.584 0.014 0.000 1.215 244 A CA 2.980 55.014 52.037 -0.006 0.000 0.648 244 A CB -0.787 18.215 19.000 0.003 0.000 0.832 244 A HN 0.419 nan 8.150 nan 0.000 0.455 245 R N -1.286 119.216 120.500 0.002 0.000 2.275 245 R HA 0.118 4.458 4.340 -0.000 0.000 0.199 245 R C 2.124 178.425 176.300 0.002 0.000 0.989 245 R CA 0.737 56.839 56.100 0.003 0.000 1.016 245 R CB -0.307 29.987 30.300 -0.010 0.000 0.918 245 R HN 0.488 nan 8.270 nan 0.000 0.473 246 R N 1.536 122.032 120.500 -0.006 0.000 2.075 246 R HA -0.009 4.331 4.340 -0.000 0.000 0.232 246 R C 1.883 178.184 176.300 0.002 0.000 1.126 246 R CA 1.318 57.414 56.100 -0.006 0.000 0.963 246 R CB -0.028 30.263 30.300 -0.016 0.000 0.858 246 R HN 0.280 nan 8.270 nan 0.000 0.435 247 R N -0.232 120.259 120.500 -0.016 0.000 2.075 247 R HA -0.011 4.329 4.340 -0.000 0.000 0.232 247 R C 2.221 178.569 176.300 0.079 0.000 1.126 247 R CA 1.258 57.335 56.100 -0.037 0.000 0.963 247 R CB -0.275 29.909 30.300 -0.194 0.000 0.858 247 R HN 0.193 nan 8.270 nan 0.000 0.435 248 A N 0.237 123.141 122.820 0.140 0.000 2.121 248 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 248 A C 1.799 179.417 177.584 0.057 0.000 1.154 248 A CA 1.399 53.540 52.037 0.174 0.000 0.679 248 A CB -0.287 18.762 19.000 0.081 0.000 0.795 248 A HN 0.237 nan 8.150 nan 0.000 0.458 249 T N -1.330 113.251 114.554 0.044 0.000 3.010 249 T HA -0.034 4.316 4.350 -0.000 0.000 0.252 249 T C 2.001 176.742 174.700 0.067 0.000 1.047 249 T CA 0.970 63.088 62.100 0.030 0.000 1.140 249 T CB -0.074 68.802 68.868 0.013 0.000 0.885 249 T HN 0.585 nan 8.240 nan 0.000 0.464 250 Q N 0.439 120.287 119.800 0.079 0.000 2.061 250 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 250 Q C 2.275 178.324 176.000 0.081 0.000 0.984 250 Q CA 1.279 57.150 55.803 0.114 0.000 0.846 250 Q CB -0.252 28.541 28.738 0.092 0.000 0.902 250 Q HN 0.328 nan 8.270 nan 0.000 0.421 251 L N 0.574 121.847 121.223 0.083 0.000 2.012 251 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 251 L C 2.214 179.065 176.870 -0.032 0.000 1.073 251 L CA 2.335 57.207 54.840 0.053 0.000 0.748 251 L CB -0.896 41.262 42.059 0.166 0.000 0.891 251 L HN 0.248 nan 8.230 nan 0.000 0.431 252 A N -1.462 121.354 122.820 -0.005 0.000 1.908 252 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 252 A C 2.387 179.974 177.584 0.004 0.000 1.181 252 A CA 1.896 53.920 52.037 -0.023 0.000 0.627 252 A CB -1.152 17.837 19.000 -0.018 0.000 0.818 252 A HN 0.793 nan 8.150 nan 0.000 0.445 253 H N -0.280 118.754 119.070 -0.059 0.000 2.270 253 H HA -0.060 4.496 4.556 -0.000 0.000 0.299 253 H C 1.980 177.254 175.328 -0.091 0.000 1.077 253 H CA 1.579 57.593 56.048 -0.056 0.000 1.294 253 H CB -0.250 29.495 29.762 -0.029 0.000 1.371 253 H HN 0.384 nan 8.280 nan 0.000 0.491 254 L N 0.745 121.709 121.223 -0.431 0.000 2.089 254 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 254 L C 2.419 178.954 176.870 -0.558 0.000 1.079 254 L CA 0.947 55.454 54.840 -0.555 0.000 0.758 254 L CB -0.156 41.643 42.059 -0.434 0.000 0.891 254 L HN 0.216 nan 8.230 nan 0.000 0.433 255 V N -0.201 119.447 119.914 -0.443 0.000 3.633 255 V HA 0.174 4.294 4.120 -0.000 0.000 0.283 255 V C 1.134 177.131 176.094 -0.162 0.000 1.305 255 V CA 0.775 62.859 62.300 -0.360 0.000 1.153 255 V CB -0.390 31.270 31.823 -0.273 0.000 0.950 255 V HN 0.683 nan 8.190 nan 0.000 0.432 256 G N 0.269 108.999 108.800 -0.117 0.000 2.326 256 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.286 256 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.286 256 G C -0.165 174.732 174.900 -0.006 0.000 1.096 256 G CA 0.044 45.126 45.100 -0.030 0.000 1.003 256 G HN 0.502 nan 8.290 nan 0.000 0.503 257 c N -0.041 118.564 118.600 0.007 0.000 2.698 257 c HA 0.706 5.276 4.570 -0.000 0.000 0.309 257 c C -1.506 172.593 174.090 0.015 0.000 1.186 257 c CA -1.165 55.166 56.329 0.004 0.000 1.474 257 c CB 2.007 44.510 42.510 -0.012 0.000 2.020 257 c HN 0.494 nan 8.230 nan 0.000 0.474 266 D N 1.227 121.612 120.400 -0.024 0.000 2.104 266 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 266 D C 1.320 177.600 176.300 -0.032 0.000 0.994 266 D CA 1.876 55.856 54.000 -0.034 0.000 0.830 266 D CB 0.078 40.857 40.800 -0.035 0.000 0.959 266 D HN 0.614 nan 8.370 nan 0.000 0.452 267 T N 1.219 115.761 114.554 -0.019 0.000 2.665 267 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 267 T C 1.817 176.511 174.700 -0.009 0.000 1.035 267 T CA 1.414 63.508 62.100 -0.011 0.000 1.151 267 T CB -0.288 68.578 68.868 -0.004 0.000 0.862 267 T HN 0.323 nan 8.240 nan 0.000 0.438 268 E N 0.433 120.627 120.200 -0.010 0.000 2.058 268 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 268 E C 2.188 178.781 176.600 -0.012 0.000 0.997 268 E CA 0.950 57.346 56.400 -0.007 0.000 0.801 268 E CB -0.300 29.395 29.700 -0.008 0.000 0.746 268 E HN 0.242 nan 8.360 nan 0.000 0.450 269 L N 0.646 121.855 121.223 -0.023 0.000 1.970 269 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 269 L C 2.315 179.158 176.870 -0.045 0.000 1.071 269 L CA 1.447 56.266 54.840 -0.036 0.000 0.751 269 L CB -0.344 41.685 42.059 -0.050 0.000 0.889 269 L HN -0.037 nan 8.230 nan 0.000 0.432 270 V N 0.012 119.891 119.914 -0.058 0.000 2.343 270 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 270 V C 2.777 178.888 176.094 0.028 0.000 1.051 270 V CA 1.582 63.846 62.300 -0.059 0.000 1.036 270 V CB -1.424 30.361 31.823 -0.064 0.000 0.654 270 V HN 0.622 nan 8.190 nan 0.000 0.451 271 A N -0.807 122.027 122.820 0.023 0.000 1.892 271 A HA -0.339 3.981 4.320 -0.000 0.000 0.218 271 A C 2.462 180.069 177.584 0.039 0.000 1.188 271 A CA 2.385 54.444 52.037 0.036 0.000 0.631 271 A CB -1.314 17.698 19.000 0.020 0.000 0.822 271 A HN 0.621 nan 8.150 nan 0.000 0.447 272 c N -1.205 117.408 118.600 0.022 0.000 2.432 272 c HA -0.064 4.506 4.570 -0.000 0.000 0.277 272 c C 2.480 176.591 174.090 0.034 0.000 1.249 272 c CA 1.271 57.612 56.329 0.019 0.000 1.725 272 c CB -1.493 41.020 42.510 0.005 0.000 2.028 272 c HN 0.527 nan 8.230 nan 0.000 0.477 273 L N 1.433 122.680 121.223 0.041 0.000 1.997 273 L HA -0.152 4.188 4.340 -0.000 0.000 0.216 273 L C 2.760 179.726 176.870 0.159 0.000 1.074 273 L CA 1.936 56.827 54.840 0.085 0.000 0.763 273 L CB -1.084 41.008 42.059 0.056 0.000 0.890 273 L HN 0.383 nan 8.230 nan 0.000 0.434 274 R N -1.226 119.386 120.500 0.186 0.000 2.249 274 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 274 R C 1.830 178.158 176.300 0.046 0.000 1.121 274 R CA 1.506 57.679 56.100 0.121 0.000 0.997 274 R CB -0.600 29.763 30.300 0.106 0.000 0.867 274 R HN 0.635 nan 8.270 nan 0.000 0.465 275 T N -1.959 112.620 114.554 0.043 0.000 3.081 275 T HA 0.111 4.461 4.350 -0.000 0.000 0.255 275 T C 0.894 175.605 174.700 0.018 0.000 1.113 275 T CA -0.175 61.938 62.100 0.022 0.000 1.082 275 T CB 0.205 69.084 68.868 0.019 0.000 0.939 275 T HN -0.128 nan 8.240 nan 0.000 0.506 276 R N 2.747 123.263 120.500 0.027 0.000 2.438 276 R HA 0.402 4.742 4.340 -0.000 0.000 0.287 276 R C -2.739 173.575 176.300 0.024 0.000 1.077 276 R CA -2.613 53.502 56.100 0.026 0.000 1.034 276 R CB -0.114 30.203 30.300 0.027 0.000 0.993 276 R HN 0.250 nan 8.270 nan 0.000 0.459 277 P HA 0.010 nan 4.420 nan 0.000 0.268 277 P C 0.315 177.626 177.300 0.019 0.000 1.205 277 P CA 0.201 63.304 63.100 0.005 0.000 0.771 277 P CB 0.666 32.381 31.700 0.026 0.000 0.858 278 A N 3.238 126.007 122.820 -0.085 0.000 1.903 278 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 278 A C 2.165 179.843 177.584 0.157 0.000 1.191 278 A CA 2.080 54.082 52.037 -0.059 0.000 0.638 278 A CB -1.446 16.915 19.000 -1.064 0.000 0.823 278 A HN 0.686 nan 8.150 nan 0.000 0.451 279 Q N -0.480 119.414 119.800 0.158 0.000 2.181 279 Q HA -0.133 4.207 4.340 -0.000 0.000 0.205 279 Q C 1.932 178.103 176.000 0.286 0.000 0.980 279 Q CA 1.778 57.819 55.803 0.397 0.000 0.862 279 Q CB -0.238 28.703 28.738 0.338 0.000 0.905 279 Q HN 0.457 nan 8.270 nan 0.000 0.429 280 V N 1.032 121.071 119.914 0.208 0.000 2.392 280 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 280 V C 2.230 178.491 176.094 0.278 0.000 1.059 280 V CA 1.484 63.915 62.300 0.218 0.000 1.051 280 V CB -0.459 31.452 31.823 0.148 0.000 0.658 280 V HN 0.417 nan 8.190 nan 0.000 0.455 281 L N -0.552 120.793 121.223 0.203 0.000 2.109 281 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 281 L C 2.381 179.369 176.870 0.197 0.000 1.086 281 L CA 0.898 55.818 54.840 0.132 0.000 0.760 281 L CB -0.606 41.406 42.059 -0.079 0.000 0.910 281 L HN 0.227 nan 8.230 nan 0.000 0.437 282 V N -0.285 119.811 119.914 0.304 0.000 2.667 282 V HA -0.172 3.948 4.120 -0.000 0.000 0.252 282 V C 2.103 178.362 176.094 0.276 0.000 1.065 282 V CA 1.243 63.753 62.300 0.350 0.000 1.083 282 V CB -0.746 31.381 31.823 0.507 0.000 0.692 282 V HN 0.446 nan 8.190 nan 0.000 0.468 283 N N 0.637 119.456 118.700 0.199 0.000 2.205 283 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 283 N C 1.459 176.840 175.510 -0.215 0.000 1.015 283 N CA 1.459 54.506 53.050 -0.006 0.000 0.862 283 N CB -0.306 38.079 38.487 -0.170 0.000 0.986 283 N HN 0.679 nan 8.380 nan 0.000 0.429 284 H N -0.748 118.334 119.070 0.020 0.000 2.594 284 H HA 0.224 4.780 4.556 -0.000 0.000 0.279 284 H C 1.370 176.726 175.328 0.047 0.000 1.042 284 H CA -0.224 55.706 56.048 -0.197 0.000 1.177 284 H CB 0.433 29.999 29.762 -0.328 0.000 1.524 284 H HN 0.273 nan 8.280 nan 0.000 0.537 285 E N 0.676 120.995 120.200 0.197 0.000 2.038 285 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 285 E C 0.683 177.277 176.600 -0.011 0.000 1.000 285 E CA 1.421 57.893 56.400 0.119 0.000 0.803 285 E CB -0.031 29.645 29.700 -0.042 0.000 0.750 285 E HN 0.593 nan 8.360 nan 0.000 0.448 286 W N -0.114 121.262 121.300 0.126 0.000 2.699 286 W HA -0.044 4.616 4.660 -0.000 0.000 0.249 286 W C 2.022 178.582 176.519 0.069 0.000 1.280 286 W CA 0.536 57.891 57.345 0.017 0.000 1.345 286 W CB -0.137 29.242 29.460 -0.134 0.000 1.128 286 W HN 0.306 nan 8.180 nan 0.000 0.642 287 H N -0.330 118.835 119.070 0.159 0.000 2.357 287 H HA -0.146 4.410 4.556 -0.000 0.000 0.301 287 H C 2.414 177.776 175.328 0.056 0.000 1.082 287 H CA 1.939 58.053 56.048 0.110 0.000 1.342 287 H CB -1.090 28.746 29.762 0.124 0.000 1.389 287 H HN 0.093 nan 8.280 nan 0.000 0.511 288 V N -0.883 119.124 119.914 0.154 0.000 3.330 288 V HA -0.028 4.092 4.120 -0.000 0.000 0.273 288 V C 0.818 176.881 176.094 -0.052 0.000 1.179 288 V CA 0.233 62.544 62.300 0.018 0.000 1.174 288 V CB -1.059 30.718 31.823 -0.077 0.000 0.794 288 V HN 0.053 nan 8.190 nan 0.000 0.527 289 L N 1.937 123.148 121.223 -0.020 0.000 2.410 289 L HA 0.392 4.732 4.340 -0.000 0.000 0.273 289 L C -1.307 175.554 176.870 -0.014 0.000 1.144 289 L CA -1.823 52.998 54.840 -0.032 0.000 0.863 289 L CB 0.649 42.730 42.059 0.037 0.000 1.140 289 L HN 0.098 nan 8.230 nan 0.000 0.463 290 P HA -0.128 nan 4.420 nan 0.000 0.238 290 P C -0.528 176.765 177.300 -0.012 0.000 1.175 290 P CA 0.448 63.536 63.100 -0.021 0.000 0.757 290 P CB -0.008 31.673 31.700 -0.032 0.000 0.839 291 Q N -1.977 117.819 119.800 -0.007 0.000 1.479 291 Q HA -0.188 4.152 4.340 -0.000 0.000 0.072 291 Q C -0.329 175.664 176.000 -0.011 0.000 1.246 291 Q CA 0.194 55.993 55.803 -0.006 0.000 0.195 291 Q CB -1.282 27.453 28.738 -0.005 0.000 5.079 291 Q HN 0.157 nan 8.270 nan 0.000 0.297 292 E N -1.100 119.093 120.200 -0.012 0.000 2.414 292 E HA -0.147 4.203 4.350 -0.000 0.000 0.173 292 E C -0.884 175.707 176.600 -0.015 0.000 1.551 292 E CA 1.473 57.866 56.400 -0.012 0.000 0.661 292 E CB -1.952 27.742 29.700 -0.010 0.000 1.108 292 E HN 0.892 nan 8.360 nan 0.000 0.365 293 S N -2.122 113.568 115.700 -0.017 0.000 2.683 293 S HA 0.648 5.118 4.470 -0.000 0.000 0.264 293 S C -1.072 173.513 174.600 -0.025 0.000 1.066 293 S CA -0.385 57.802 58.200 -0.021 0.000 0.846 293 S CB 2.503 65.686 63.200 -0.029 0.000 1.114 293 S HN 0.758 nan 8.310 nan 0.000 0.476 294 V N 0.871 120.768 119.914 -0.028 0.000 3.078 294 V HA 0.851 4.971 4.120 -0.000 0.000 0.311 294 V C -0.775 175.289 176.094 -0.050 0.000 1.138 294 V CA -0.373 61.913 62.300 -0.023 0.000 1.007 294 V CB 1.523 33.359 31.823 0.022 0.000 1.045 294 V HN 2.012 nan 8.190 nan 0.000 0.432 295 F N 3.800 123.543 119.950 -0.344 0.000 3.040 295 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 295 F C -0.291 175.003 175.800 -0.843 0.000 0.948 295 F CA 0.689 58.269 58.000 -0.700 0.000 1.022 295 F CB -0.550 37.898 39.000 -0.920 0.000 1.023 295 F HN 0.634 nan 8.300 nan 0.000 0.742 296 R N 1.187 121.289 120.500 -0.664 0.000 2.533 296 R HA 0.563 4.903 4.340 -0.000 0.000 0.288 296 R C -1.119 174.804 176.300 -0.628 0.000 1.039 296 R CA -0.533 55.183 56.100 -0.640 0.000 0.909 296 R CB 1.097 31.266 30.300 -0.218 0.000 1.195 296 R HN 0.015 nan 8.270 nan 0.000 0.438 297 F N -0.365 119.693 119.950 0.180 0.000 2.532 297 F HA 0.408 4.935 4.527 -0.000 0.000 0.321 297 F C 1.632 177.386 175.800 -0.075 0.000 1.089 297 F CA -0.957 57.084 58.000 0.069 0.000 0.926 297 F CB 1.535 40.694 39.000 0.265 0.000 1.168 297 F HN 0.334 nan 8.300 nan 0.000 0.459 298 S N 0.908 116.523 115.700 -0.143 0.000 2.378 298 S HA -0.137 4.333 4.470 -0.000 0.000 0.221 298 S C 0.204 174.499 174.600 -0.510 0.000 1.037 298 S CA 1.364 59.315 58.200 -0.414 0.000 1.069 298 S CB -0.353 62.482 63.200 -0.609 0.000 1.006 298 S HN 0.372 nan 8.310 nan 0.000 0.423 299 F N 1.761 121.749 119.950 0.064 0.000 2.361 299 F HA 0.533 5.060 4.527 -0.000 0.000 0.364 299 F C 0.201 176.048 175.800 0.078 0.000 1.120 299 F CA -0.866 57.201 58.000 0.111 0.000 1.102 299 F CB 0.855 39.962 39.000 0.179 0.000 1.183 299 F HN -0.020 nan 8.300 nan 0.000 0.476 300 V N 0.969 120.891 119.914 0.014 0.000 3.164 300 V HA 0.752 4.872 4.120 -0.000 0.000 0.313 300 V C -2.866 172.927 176.094 -0.502 0.000 1.188 300 V CA -3.369 58.650 62.300 -0.469 0.000 1.058 300 V CB 1.804 33.485 31.823 -0.236 0.000 1.110 300 V HN 0.273 nan 8.190 nan 0.000 0.453 301 P HA 0.263 nan 4.420 nan 0.000 0.267 301 P C -0.764 176.404 177.300 -0.221 0.000 1.200 301 P CA 0.221 63.060 63.100 -0.436 0.000 0.772 301 P CB 0.557 31.894 31.700 -0.606 0.000 0.855 302 V N 3.632 123.485 119.914 -0.101 0.000 2.547 302 V HA 0.187 4.307 4.120 -0.000 0.000 0.299 302 V C 0.270 176.337 176.094 -0.045 0.000 1.040 302 V CA -0.655 61.610 62.300 -0.058 0.000 0.913 302 V CB 2.091 33.909 31.823 -0.008 0.000 0.992 302 V HN 0.181 nan 8.190 nan 0.000 0.449 303 V N 4.033 123.923 119.914 -0.040 0.000 2.222 303 V HA 0.137 4.257 4.120 -0.000 0.000 0.253 303 V C 0.868 176.961 176.094 -0.001 0.000 1.210 303 V CA -0.156 62.133 62.300 -0.018 0.000 1.079 303 V CB -0.053 31.751 31.823 -0.033 0.000 1.265 303 V HN 1.077 nan 8.190 nan 0.000 0.494 304 D N 2.260 122.672 120.400 0.020 0.000 2.333 304 D HA 0.110 4.750 4.640 -0.000 0.000 0.208 304 D C 1.627 177.943 176.300 0.027 0.000 0.984 304 D CA 0.952 54.967 54.000 0.024 0.000 0.873 304 D CB 0.452 41.275 40.800 0.039 0.000 0.935 304 D HN 0.648 nan 8.370 nan 0.000 0.521 305 G N 0.605 109.424 108.800 0.032 0.000 2.195 305 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.246 305 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.246 305 G C 0.623 175.542 174.900 0.031 0.000 0.984 305 G CA 0.607 45.721 45.100 0.024 0.000 0.633 305 G HN 0.522 nan 8.290 nan 0.000 0.525 306 D N -0.914 119.519 120.400 0.054 0.000 2.634 306 D HA 0.258 4.898 4.640 -0.000 0.000 0.262 306 D C 1.952 178.298 176.300 0.077 0.000 1.354 306 D CA 0.807 54.843 54.000 0.059 0.000 1.028 306 D CB -0.368 40.476 40.800 0.074 0.000 1.061 306 D HN 0.146 nan 8.370 nan 0.000 0.387 307 F N 0.637 120.582 119.950 -0.008 0.000 2.095 307 F HA 0.135 4.662 4.527 -0.000 0.000 0.298 307 F C 0.448 176.235 175.800 -0.021 0.000 1.104 307 F CA 1.152 59.143 58.000 -0.015 0.000 1.232 307 F CB 0.115 39.099 39.000 -0.028 0.000 0.987 307 F HN -0.015 nan 8.300 nan 0.000 0.475 308 L N 0.881 122.259 121.223 0.257 0.000 2.295 308 L HA 0.190 4.530 4.340 -0.000 0.000 0.281 308 L C 1.345 178.252 176.870 0.062 0.000 1.018 308 L CA -0.231 54.696 54.840 0.146 0.000 0.841 308 L CB 1.375 43.515 42.059 0.136 0.000 1.218 308 L HN 0.082 nan 8.230 nan 0.000 0.424 309 S N 0.377 116.094 115.700 0.028 0.000 2.507 309 S HA -0.036 4.434 4.470 -0.000 0.000 0.235 309 S C 0.449 175.055 174.600 0.009 0.000 0.988 309 S CA 0.530 58.736 58.200 0.011 0.000 0.944 309 S CB 0.081 63.279 63.200 -0.004 0.000 0.762 309 S HN 0.727 nan 8.310 nan 0.000 0.526 310 D N -0.031 120.377 120.400 0.012 0.000 2.779 310 D HA 0.254 4.894 4.640 -0.000 0.000 0.331 310 D C -0.957 175.343 176.300 -0.000 0.000 1.331 310 D CA 0.033 54.034 54.000 0.002 0.000 0.866 310 D CB 1.296 42.096 40.800 -0.001 0.000 1.409 310 D HN 0.216 nan 8.370 nan 0.000 0.486 311 T N -0.802 113.744 114.554 -0.013 0.000 2.926 311 T HA 0.290 4.640 4.350 -0.000 0.000 0.307 311 T C -1.813 172.874 174.700 -0.020 0.000 1.059 311 T CA -0.761 61.322 62.100 -0.028 0.000 1.122 311 T CB 1.161 70.006 68.868 -0.038 0.000 0.972 311 T HN 0.097 nan 8.240 nan 0.000 0.545 312 P HA -0.168 nan 4.420 nan 0.000 0.216 312 P C 1.526 178.819 177.300 -0.012 0.000 1.154 312 P CA 1.276 64.360 63.100 -0.027 0.000 0.865 312 P CB 0.098 31.753 31.700 -0.076 0.000 0.789 313 E N -0.581 119.600 120.200 -0.032 0.000 2.023 313 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 313 E C 1.992 178.595 176.600 0.005 0.000 1.003 313 E CA 1.467 57.856 56.400 -0.019 0.000 0.809 313 E CB -0.633 29.047 29.700 -0.034 0.000 0.755 313 E HN 0.040 nan 8.360 nan 0.000 0.449 314 A N 1.231 124.051 122.820 -0.001 0.000 1.884 314 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 314 A C 2.285 179.882 177.584 0.022 0.000 1.197 314 A CA 1.909 53.949 52.037 0.005 0.000 0.637 314 A CB -1.008 17.990 19.000 -0.003 0.000 0.827 314 A HN 0.344 nan 8.150 nan 0.000 0.450 315 L N -0.785 120.457 121.223 0.032 0.000 2.012 315 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 315 L C 2.578 179.524 176.870 0.126 0.000 1.073 315 L CA 1.557 56.433 54.840 0.059 0.000 0.748 315 L CB -0.644 41.457 42.059 0.069 0.000 0.891 315 L HN 0.394 nan 8.230 nan 0.000 0.431 316 I N 0.193 120.853 120.570 0.151 0.000 2.194 316 I HA -0.331 3.839 4.170 -0.000 0.000 0.246 316 I C 2.231 178.492 176.117 0.241 0.000 1.093 316 I CA 1.281 62.728 61.300 0.245 0.000 1.355 316 I CB -0.455 37.606 38.000 0.103 0.000 1.046 316 I HN 0.390 nan 8.210 nan 0.000 0.413 317 N N 1.059 119.828 118.700 0.115 0.000 2.142 317 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 317 N C 1.736 177.269 175.510 0.038 0.000 1.023 317 N CA 1.630 54.726 53.050 0.077 0.000 0.852 317 N CB -0.345 38.165 38.487 0.040 0.000 0.998 317 N HN 0.350 nan 8.380 nan 0.000 0.424 318 A N 0.364 123.188 122.820 0.006 0.000 2.218 318 A HA 0.316 4.636 4.320 -0.000 0.000 0.209 318 A C 1.238 178.738 177.584 -0.142 0.000 1.168 318 A CA 0.282 52.290 52.037 -0.048 0.000 0.804 318 A CB -0.538 18.439 19.000 -0.037 0.000 0.834 318 A HN 0.233 nan 8.150 nan 0.000 0.482 319 G N -0.227 108.437 108.800 -0.227 0.000 2.467 319 G HA2 0.383 4.343 3.960 -0.000 0.000 0.257 319 G HA3 0.383 4.343 3.960 -0.000 0.000 0.257 319 G C -0.921 173.419 174.900 -0.933 0.000 1.227 319 G CA -0.157 44.547 45.100 -0.660 0.000 0.835 319 G HN 0.125 nan 8.290 nan 0.000 0.556 320 D N 1.337 121.264 120.400 -0.789 0.000 2.373 320 D HA 0.269 4.909 4.640 -0.000 0.000 0.227 320 D C -0.324 175.602 176.300 -0.624 0.000 1.091 320 D CA -0.624 53.061 54.000 -0.525 0.000 0.840 320 D CB 0.766 41.443 40.800 -0.205 0.000 1.060 320 D HN 0.120 nan 8.370 nan 0.000 0.502 321 F N 2.383 122.251 119.950 -0.137 0.000 2.684 321 F HA 0.156 4.683 4.527 -0.000 0.000 0.298 321 F C 1.103 176.845 175.800 -0.097 0.000 1.120 321 F CA -0.621 57.322 58.000 -0.095 0.000 1.332 321 F CB -0.245 38.711 39.000 -0.073 0.000 0.986 321 F HN 0.300 nan 8.300 nan 0.000 0.524 322 H N 0.347 119.475 119.070 0.096 0.000 2.852 322 H HA 0.233 4.789 4.556 -0.000 0.000 0.362 322 H C 1.375 176.738 175.328 0.059 0.000 1.122 322 H CA 1.004 57.092 56.048 0.066 0.000 1.419 322 H CB 0.591 30.367 29.762 0.023 0.000 1.401 322 H HN 0.455 nan 8.280 nan 0.000 0.609 323 G N 2.013 110.926 108.800 0.189 0.000 2.295 323 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.287 323 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.287 323 G C -0.194 174.755 174.900 0.082 0.000 1.055 323 G CA 0.363 45.525 45.100 0.104 0.000 0.922 323 G HN 0.522 nan 8.290 nan 0.000 0.503 324 L N -1.086 120.196 121.223 0.098 0.000 2.445 324 L HA 0.654 4.994 4.340 -0.000 0.000 0.262 324 L C -0.952 175.978 176.870 0.101 0.000 0.974 324 L CA -1.006 53.888 54.840 0.089 0.000 0.822 324 L CB 2.094 44.226 42.059 0.122 0.000 1.339 324 L HN 0.195 nan 8.230 nan 0.000 0.409 325 Q N 3.016 122.890 119.800 0.122 0.000 2.330 325 Q HA 0.652 4.992 4.340 -0.000 0.000 0.269 325 Q C -1.302 174.963 176.000 0.442 0.000 1.022 325 Q CA -0.378 55.566 55.803 0.235 0.000 0.796 325 Q CB 2.824 31.655 28.738 0.156 0.000 1.271 325 Q HN 0.320 nan 8.270 nan 0.000 0.450 326 V N 2.483 122.605 119.914 0.347 0.000 2.735 326 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 326 V C -1.238 174.818 176.094 -0.063 0.000 1.061 326 V CA -0.933 61.492 62.300 0.208 0.000 0.913 326 V CB 2.035 33.881 31.823 0.037 0.000 1.005 326 V HN 0.642 nan 8.190 nan 0.000 0.428 327 L N 6.104 127.106 121.223 -0.369 0.000 2.325 327 L HA 0.861 5.201 4.340 -0.000 0.000 0.281 327 L C -0.508 176.236 176.870 -0.210 0.000 1.004 327 L CA -0.156 54.350 54.840 -0.557 0.000 0.823 327 L CB 1.663 42.975 42.059 -1.245 0.000 1.236 327 L HN 0.610 nan 8.230 nan 0.000 0.415 328 V N 1.976 121.819 119.914 -0.118 0.000 2.876 328 V HA 1.122 5.242 4.120 -0.000 0.000 0.312 328 V C -0.194 175.672 176.094 -0.381 0.000 1.085 328 V CA 0.138 62.352 62.300 -0.143 0.000 0.945 328 V CB 1.207 32.914 31.823 -0.192 0.000 1.017 328 V HN 1.022 nan 8.190 nan 0.000 0.428 329 G N 1.149 109.582 108.800 -0.610 0.000 2.559 329 G HA2 0.799 4.759 3.960 -0.000 0.000 0.291 329 G HA3 0.799 4.759 3.960 -0.000 0.000 0.291 329 G C -1.220 173.360 174.900 -0.534 0.000 1.424 329 G CA 0.012 44.318 45.100 -1.323 0.000 0.786 329 G HN 2.015 nan 8.290 nan 0.000 0.485 330 V N -2.425 117.315 119.914 -0.290 0.000 3.181 330 V HA 0.918 5.038 4.120 -0.000 0.000 0.308 330 V C 0.270 176.542 176.094 0.296 0.000 1.214 330 V CA -0.563 61.787 62.300 0.083 0.000 1.053 330 V CB 1.105 32.959 31.823 0.052 0.000 1.069 330 V HN 1.755 nan 8.190 nan 0.000 0.441 331 V N -1.151 118.962 119.914 0.332 0.000 2.973 331 V HA 0.603 4.723 4.120 -0.000 0.000 0.314 331 V C 1.401 177.681 176.094 0.310 0.000 1.066 331 V CA -0.481 62.062 62.300 0.405 0.000 1.021 331 V CB 1.321 33.381 31.823 0.394 0.000 1.076 331 V HN 0.970 nan 8.190 nan 0.000 0.462 332 K N 0.209 120.787 120.400 0.295 0.000 2.152 332 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 332 K C 0.168 176.891 176.600 0.204 0.000 1.048 332 K CA 1.819 58.238 56.287 0.219 0.000 0.933 332 K CB -0.073 32.532 32.500 0.174 0.000 0.721 332 K HN 0.914 nan 8.250 nan 0.000 0.447 333 D N 1.007 121.537 120.400 0.217 0.000 2.443 333 D HA 0.057 4.697 4.640 -0.000 0.000 0.281 333 D C 0.495 176.938 176.300 0.239 0.000 1.210 333 D CA -0.200 53.923 54.000 0.205 0.000 0.875 333 D CB 1.281 42.180 40.800 0.165 0.000 1.125 333 D HN -0.024 nan 8.370 nan 0.000 0.503 334 E N 1.104 121.463 120.200 0.264 0.000 2.023 334 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 334 E C 2.088 178.903 176.600 0.358 0.000 1.003 334 E CA 1.107 57.707 56.400 0.333 0.000 0.809 334 E CB -0.177 29.689 29.700 0.277 0.000 0.755 334 E HN 0.506 nan 8.360 nan 0.000 0.449 335 G N 1.738 110.704 108.800 0.277 0.000 2.491 335 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.218 335 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.218 335 G C 1.710 176.786 174.900 0.293 0.000 1.180 335 G CA 2.670 47.941 45.100 0.284 0.000 0.774 335 G HN 0.420 nan 8.290 nan 0.000 0.562 336 S N 0.707 116.541 115.700 0.224 0.000 2.433 336 S HA -0.474 3.996 4.470 -0.000 0.000 0.276 336 S C 2.071 176.715 174.600 0.073 0.000 1.122 336 S CA 2.358 60.670 58.200 0.186 0.000 1.277 336 S CB -1.342 61.891 63.200 0.054 0.000 1.198 336 S HN 0.728 nan 8.310 nan 0.000 0.440 337 Y N 2.903 123.080 120.300 -0.205 0.000 2.062 337 Y HA -0.301 4.249 4.550 -0.000 0.000 0.273 337 Y C 1.978 177.716 175.900 -0.270 0.000 1.206 337 Y CA 1.806 59.620 58.100 -0.476 0.000 1.125 337 Y CB -1.169 36.851 38.460 -0.733 0.000 0.951 337 Y HN 0.329 nan 8.280 nan 0.000 0.501 338 F N -0.442 119.283 119.950 -0.375 0.000 2.186 338 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 338 F C 2.317 178.051 175.800 -0.110 0.000 1.090 338 F CA 1.167 58.964 58.000 -0.339 0.000 1.307 338 F CB -0.933 37.915 39.000 -0.253 0.000 1.019 338 F HN 0.023 nan 8.300 nan 0.000 0.489 339 L N 0.374 121.606 121.223 0.015 0.000 2.137 339 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 339 L C 2.271 179.111 176.870 -0.051 0.000 1.085 339 L CA 1.271 55.985 54.840 -0.209 0.000 0.760 339 L CB -1.178 40.394 42.059 -0.812 0.000 0.893 339 L HN 0.226 nan 8.230 nan 0.000 0.434 340 V N -4.771 115.177 119.914 0.057 0.000 3.541 340 V HA -0.173 3.947 4.120 -0.000 0.000 0.272 340 V C 1.061 177.067 176.094 -0.146 0.000 1.215 340 V CA 0.913 63.257 62.300 0.074 0.000 1.176 340 V CB -1.378 30.538 31.823 0.154 0.000 0.854 340 V HN 0.338 nan 8.190 nan 0.000 0.496 341 Y N 1.102 121.372 120.300 -0.050 0.000 2.607 341 Y HA 0.681 5.231 4.550 -0.000 0.000 0.266 341 Y C 1.700 177.557 175.900 -0.072 0.000 1.178 341 Y CA 0.251 58.294 58.100 -0.095 0.000 1.226 341 Y CB 0.981 39.354 38.460 -0.144 0.000 1.144 341 Y HN 0.383 nan 8.280 nan 0.000 0.528 342 G N -0.863 107.988 108.800 0.084 0.000 3.617 342 G HA2 0.015 3.975 3.960 -0.000 0.000 0.217 342 G HA3 0.015 3.975 3.960 -0.000 0.000 0.217 342 G C 0.158 175.101 174.900 0.073 0.000 0.967 342 G CA -0.329 44.805 45.100 0.056 0.000 0.878 342 G HN 0.300 nan 8.290 nan 0.000 0.439 343 A N 3.238 126.109 122.820 0.084 0.000 2.561 343 A HA 0.524 4.844 4.320 -0.000 0.000 0.251 343 A C -1.496 176.253 177.584 0.275 0.000 1.062 343 A CA -0.149 51.974 52.037 0.144 0.000 0.761 343 A CB -0.423 18.588 19.000 0.018 0.000 0.986 343 A HN 0.248 nan 8.150 nan 0.000 0.510 344 P HA 0.123 nan 4.420 nan 0.000 0.262 344 P C 0.910 178.267 177.300 0.096 0.000 1.199 344 P CA 1.529 64.700 63.100 0.119 0.000 0.763 344 P CB 0.610 32.351 31.700 0.068 0.000 0.790 345 G N 2.264 111.070 108.800 0.010 0.000 2.194 345 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.236 345 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.236 345 G C -0.247 174.461 174.900 -0.321 0.000 0.987 345 G CA -0.536 44.465 45.100 -0.165 0.000 0.635 345 G HN 0.428 nan 8.290 nan 0.000 0.520 346 F N 1.367 121.276 119.950 -0.068 0.000 2.399 346 F HA 0.770 5.297 4.527 -0.000 0.000 0.334 346 F C 0.685 176.493 175.800 0.013 0.000 1.097 346 F CA 0.155 58.102 58.000 -0.088 0.000 1.076 346 F CB 2.197 41.182 39.000 -0.025 0.000 1.162 346 F HN 0.170 nan 8.300 nan 0.000 0.495 347 S N 1.482 117.324 115.700 0.236 0.000 2.552 347 S HA 0.244 4.713 4.470 -0.000 0.000 0.272 347 S C 0.189 175.036 174.600 0.411 0.000 1.150 347 S CA -0.841 57.526 58.200 0.278 0.000 0.849 347 S CB 1.310 64.589 63.200 0.132 0.000 1.113 347 S HN 0.760 nan 8.310 nan 0.000 0.458 348 K N 1.099 121.689 120.400 0.318 0.000 2.296 348 K HA 0.111 4.431 4.320 -0.000 0.000 0.200 348 K C 0.084 176.720 176.600 0.060 0.000 1.048 348 K CA 1.089 57.506 56.287 0.217 0.000 0.966 348 K CB -0.197 32.162 32.500 -0.235 0.000 0.754 348 K HN 0.473 nan 8.250 nan 0.000 0.466 349 D N 1.577 121.957 120.400 -0.032 0.000 2.338 349 D HA -0.007 4.633 4.640 -0.000 0.000 0.239 349 D C -0.490 175.817 176.300 0.012 0.000 1.095 349 D CA 0.434 54.398 54.000 -0.061 0.000 0.888 349 D CB -0.211 40.530 40.800 -0.098 0.000 0.899 349 D HN 0.540 nan 8.370 nan 0.000 0.525 350 N N -2.102 116.650 118.700 0.087 0.000 3.127 350 N HA 0.014 4.754 4.740 -0.000 0.000 0.239 350 N C -0.212 175.319 175.510 0.035 0.000 1.407 350 N CA -0.668 52.407 53.050 0.042 0.000 0.891 350 N CB 0.607 39.074 38.487 -0.034 0.000 1.447 350 N HN -0.334 nan 8.380 nan 0.000 0.507 351 E N -0.174 120.005 120.200 -0.034 0.000 2.510 351 E HA -0.038 4.312 4.350 -0.000 0.000 0.202 351 E C -0.493 175.738 176.600 -0.614 0.000 1.072 351 E CA 0.608 56.908 56.400 -0.165 0.000 0.883 351 E CB -0.464 29.204 29.700 -0.054 0.000 0.818 351 E HN 0.553 nan 8.360 nan 0.000 0.548 352 S N 0.477 115.812 115.700 -0.609 0.000 3.378 352 S HA -0.196 4.274 4.470 -0.000 0.000 0.365 352 S C 0.188 174.349 174.600 -0.732 0.000 0.951 352 S CA 0.211 57.936 58.200 -0.792 0.000 1.274 352 S CB -1.152 61.306 63.200 -1.237 0.000 0.915 352 S HN 0.345 nan 8.310 nan 0.000 0.513 353 L N 2.319 123.276 121.223 -0.444 0.000 2.384 353 L HA 0.286 4.626 4.340 -0.000 0.000 0.258 353 L C 1.146 177.834 176.870 -0.303 0.000 1.266 353 L CA -0.381 54.266 54.840 -0.322 0.000 1.162 353 L CB -0.370 41.567 42.059 -0.203 0.000 1.375 353 L HN 0.534 nan 8.230 nan 0.000 0.420 354 I N -0.738 119.599 120.570 -0.388 0.000 3.161 354 I HA 0.122 4.292 4.170 -0.000 0.000 0.284 354 I C 0.846 176.878 176.117 -0.142 0.000 1.252 354 I CA -0.205 60.925 61.300 -0.284 0.000 1.374 354 I CB 0.483 38.309 38.000 -0.289 0.000 1.359 354 I HN 0.470 nan 8.210 nan 0.000 0.606 355 S N 2.332 117.984 115.700 -0.078 0.000 2.578 355 S HA 0.374 4.844 4.470 -0.000 0.000 0.283 355 S C 0.746 175.366 174.600 0.032 0.000 1.195 355 S CA -0.810 57.370 58.200 -0.034 0.000 1.050 355 S CB 1.899 65.084 63.200 -0.025 0.000 1.012 355 S HN 0.822 nan 8.310 nan 0.000 0.511 356 R N 1.860 122.377 120.500 0.028 0.000 2.185 356 R HA -0.142 4.198 4.340 -0.000 0.000 0.247 356 R C 1.979 178.373 176.300 0.156 0.000 1.159 356 R CA 2.103 58.257 56.100 0.089 0.000 0.988 356 R CB -1.273 29.052 30.300 0.042 0.000 0.871 356 R HN 0.855 nan 8.270 nan 0.000 0.458 357 A N 0.315 123.189 122.820 0.090 0.000 1.873 357 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 357 A C 1.965 179.595 177.584 0.076 0.000 1.186 357 A CA 1.569 53.649 52.037 0.073 0.000 0.616 357 A CB -0.439 18.584 19.000 0.039 0.000 0.823 357 A HN 0.547 nan 8.150 nan 0.000 0.442 358 E N -1.199 119.044 120.200 0.071 0.000 2.072 358 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 358 E C 1.756 178.426 176.600 0.117 0.000 0.985 358 E CA 1.155 57.596 56.400 0.068 0.000 0.801 358 E CB -0.330 29.387 29.700 0.029 0.000 0.750 358 E HN 0.629 nan 8.360 nan 0.000 0.452 359 F N 1.915 121.881 119.950 0.027 0.000 2.087 359 F HA -0.249 4.278 4.527 -0.000 0.000 0.299 359 F C 1.841 177.676 175.800 0.059 0.000 1.100 359 F CA 1.512 59.546 58.000 0.057 0.000 1.226 359 F CB -0.225 38.788 39.000 0.021 0.000 0.983 359 F HN -0.078 nan 8.300 nan 0.000 0.479 360 L N -0.357 120.818 121.223 -0.081 0.000 2.141 360 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 360 L C 2.689 179.479 176.870 -0.134 0.000 1.094 360 L CA 1.078 55.822 54.840 -0.161 0.000 0.763 360 L CB -1.126 40.945 42.059 0.020 0.000 0.908 360 L HN 0.265 nan 8.230 nan 0.000 0.437 361 A N -0.016 122.769 122.820 -0.060 0.000 2.067 361 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 361 A C 2.328 179.885 177.584 -0.044 0.000 1.156 361 A CA 1.138 53.155 52.037 -0.033 0.000 0.683 361 A CB -0.722 18.279 19.000 0.003 0.000 0.808 361 A HN 0.407 nan 8.150 nan 0.000 0.455 362 G N -0.612 108.150 108.800 -0.062 0.000 2.430 362 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.216 362 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.216 362 G C 1.408 176.239 174.900 -0.115 0.000 1.146 362 G CA 1.019 46.096 45.100 -0.038 0.000 0.793 362 G HN 0.249 nan 8.290 nan 0.000 0.537 363 V N 1.118 120.893 119.914 -0.232 0.000 2.392 363 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 363 V C 2.950 178.990 176.094 -0.089 0.000 1.059 363 V CA 1.630 63.806 62.300 -0.207 0.000 1.051 363 V CB -0.344 31.309 31.823 -0.282 0.000 0.658 363 V HN 0.262 nan 8.190 nan 0.000 0.455 364 R N -0.373 120.083 120.500 -0.073 0.000 2.115 364 R HA -0.030 4.310 4.340 -0.000 0.000 0.230 364 R C 2.125 178.408 176.300 -0.028 0.000 1.111 364 R CA 0.979 57.057 56.100 -0.036 0.000 0.976 364 R CB -0.862 29.421 30.300 -0.028 0.000 0.870 364 R HN 0.472 nan 8.270 nan 0.000 0.445 365 V N 0.103 119.999 119.914 -0.030 0.000 2.255 365 V HA -0.070 4.050 4.120 -0.000 0.000 0.243 365 V C 2.445 178.526 176.094 -0.022 0.000 1.038 365 V CA 2.045 64.333 62.300 -0.019 0.000 1.008 365 V CB -1.119 30.699 31.823 -0.009 0.000 0.645 365 V HN 0.382 nan 8.190 nan 0.000 0.449 366 G N -0.363 108.417 108.800 -0.033 0.000 2.470 366 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.220 366 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.220 366 G C 0.712 175.604 174.900 -0.013 0.000 1.121 366 G CA 0.963 46.046 45.100 -0.029 0.000 0.766 366 G HN 0.440 nan 8.290 nan 0.000 0.553 367 V N 3.209 123.107 119.914 -0.026 0.000 2.313 367 V HA 0.246 4.366 4.120 -0.000 0.000 0.262 367 V C -1.877 174.198 176.094 -0.032 0.000 1.011 367 V CA -1.702 60.559 62.300 -0.065 0.000 0.858 367 V CB 1.239 33.055 31.823 -0.012 0.000 1.104 367 V HN 0.103 nan 8.190 nan 0.000 0.456 368 P HA -0.030 nan 4.420 nan 0.000 0.271 368 P C 0.142 177.439 177.300 -0.005 0.000 1.238 368 P CA 0.184 63.280 63.100 -0.006 0.000 0.794 368 P CB 0.477 32.175 31.700 -0.004 0.000 0.959 369 Q N -0.713 119.083 119.800 -0.007 0.000 2.363 369 Q HA -0.179 4.161 4.340 -0.000 0.000 0.310 369 Q C -1.877 174.118 176.000 -0.008 0.000 1.226 369 Q CA 0.785 56.583 55.803 -0.008 0.000 0.978 369 Q CB -1.817 26.915 28.738 -0.011 0.000 1.077 369 Q HN 0.284 nan 8.270 nan 0.000 0.296 370 V N 2.986 122.895 119.914 -0.007 0.000 2.950 370 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 370 V C -0.025 176.068 176.094 -0.002 0.000 1.297 370 V CA 0.000 62.297 62.300 -0.006 0.000 0.962 370 V CB 2.209 34.032 31.823 0.000 0.000 1.081 370 V HN 0.969 nan 8.190 nan 0.000 0.432 371 S N 2.976 118.674 115.700 -0.004 0.000 2.560 371 S HA 0.056 4.526 4.470 -0.000 0.000 0.276 371 S C 0.744 175.351 174.600 0.013 0.000 1.350 371 S CA 0.619 58.819 58.200 0.001 0.000 1.024 371 S CB 0.561 63.759 63.200 -0.003 0.000 0.864 371 S HN 0.797 nan 8.310 nan 0.000 0.536 372 D N 0.447 120.855 120.400 0.014 0.000 2.149 372 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 372 D C 1.679 178.000 176.300 0.035 0.000 0.990 372 D CA 0.994 55.007 54.000 0.021 0.000 0.839 372 D CB -0.293 40.518 40.800 0.019 0.000 0.948 372 D HN 0.450 nan 8.370 nan 0.000 0.460 373 L N 0.462 121.706 121.223 0.035 0.000 2.093 373 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 373 L C 1.990 178.906 176.870 0.077 0.000 1.085 373 L CA 1.436 56.308 54.840 0.053 0.000 0.755 373 L CB -0.739 41.346 42.059 0.044 0.000 0.904 373 L HN 0.009 nan 8.230 nan 0.000 0.435 374 A N -0.415 122.442 122.820 0.062 0.000 1.902 374 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 374 A C 2.466 180.120 177.584 0.116 0.000 1.181 374 A CA 1.796 53.886 52.037 0.087 0.000 0.623 374 A CB -1.154 17.866 19.000 0.035 0.000 0.818 374 A HN 0.555 nan 8.150 nan 0.000 0.443 375 A N -0.564 122.300 122.820 0.073 0.000 1.902 375 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 375 A C 1.933 179.560 177.584 0.072 0.000 1.181 375 A CA 1.719 53.793 52.037 0.061 0.000 0.623 375 A CB -0.448 18.568 19.000 0.027 0.000 0.818 375 A HN 0.445 nan 8.150 nan 0.000 0.443 376 E N 0.041 120.289 120.200 0.081 0.000 2.097 376 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 376 E C 2.337 178.996 176.600 0.097 0.000 1.000 376 E CA 1.381 57.838 56.400 0.096 0.000 0.804 376 E CB -0.637 29.114 29.700 0.085 0.000 0.740 376 E HN 0.584 nan 8.360 nan 0.000 0.454 377 A N 0.741 123.624 122.820 0.105 0.000 1.933 377 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 377 A C 2.614 180.070 177.584 -0.214 0.000 1.175 377 A CA 1.499 53.574 52.037 0.063 0.000 0.628 377 A CB -0.530 18.681 19.000 0.352 0.000 0.814 377 A HN 0.143 nan 8.150 nan 0.000 0.444 378 V N -0.370 119.479 119.914 -0.108 0.000 2.283 378 V HA -0.205 3.915 4.120 -0.000 0.000 0.243 378 V C 2.563 178.712 176.094 0.091 0.000 1.039 378 V CA 1.903 64.118 62.300 -0.142 0.000 1.016 378 V CB -0.915 30.959 31.823 0.085 0.000 0.650 378 V HN 0.362 nan 8.190 nan 0.000 0.449 379 V N 0.283 120.273 119.914 0.126 0.000 2.392 379 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 379 V C 2.428 178.695 176.094 0.288 0.000 1.059 379 V CA 2.097 64.534 62.300 0.228 0.000 1.051 379 V CB -0.813 31.131 31.823 0.201 0.000 0.658 379 V HN 0.536 nan 8.190 nan 0.000 0.455 380 L N 0.286 121.670 121.223 0.268 0.000 1.989 380 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 380 L C 2.437 179.483 176.870 0.294 0.000 1.071 380 L CA 2.685 57.765 54.840 0.401 0.000 0.749 380 L CB -1.076 41.076 42.059 0.155 0.000 0.890 380 L HN 0.498 nan 8.230 nan 0.000 0.431 381 H N -1.898 117.120 119.070 -0.087 0.000 2.326 381 H HA -0.173 4.383 4.556 -0.000 0.000 0.301 381 H C 1.566 176.730 175.328 -0.274 0.000 1.081 381 H CA 2.230 58.113 56.048 -0.276 0.000 1.334 381 H CB -0.242 29.120 29.762 -0.668 0.000 1.385 381 H HN 0.469 nan 8.280 nan 0.000 0.504 382 Y N 0.147 120.485 120.300 0.063 0.000 2.529 382 Y HA 0.114 4.664 4.550 -0.000 0.000 0.290 382 Y C 0.491 176.347 175.900 -0.074 0.000 1.177 382 Y CA 0.426 58.577 58.100 0.085 0.000 1.305 382 Y CB 0.185 38.820 38.460 0.292 0.000 1.047 382 Y HN 0.078 nan 8.280 nan 0.000 0.522 383 T N 0.784 115.238 114.554 -0.166 0.000 2.806 383 T HA 0.049 4.399 4.350 -0.000 0.000 0.290 383 T C -0.565 173.648 174.700 -0.813 0.000 0.966 383 T CA -0.695 61.035 62.100 -0.617 0.000 1.060 383 T CB 0.769 68.948 68.868 -1.149 0.000 0.927 383 T HN -0.008 nan 8.240 nan 0.000 0.485 384 D N 2.078 122.120 120.400 -0.597 0.000 2.365 384 D HA 0.100 4.740 4.640 -0.000 0.000 0.237 384 D C -0.041 175.990 176.300 -0.449 0.000 1.190 384 D CA -0.679 53.091 54.000 -0.384 0.000 0.867 384 D CB 0.512 41.218 40.800 -0.156 0.000 1.050 384 D HN 0.619 nan 8.370 nan 0.000 0.491 385 W N 3.504 124.747 121.300 -0.095 0.000 3.077 385 W HA 0.040 4.700 4.660 -0.000 0.000 0.245 385 W C 1.719 178.148 176.519 -0.150 0.000 1.316 385 W CA -0.550 56.736 57.345 -0.098 0.000 1.537 385 W CB 0.347 29.756 29.460 -0.085 0.000 1.131 385 W HN 0.372 nan 8.180 nan 0.000 0.695 386 L N -0.011 121.138 121.223 -0.123 0.000 2.590 386 L HA 0.130 4.470 4.340 -0.000 0.000 0.227 386 L C 0.021 176.504 176.870 -0.644 0.000 1.099 386 L CA 1.277 55.892 54.840 -0.376 0.000 0.872 386 L CB -0.211 41.539 42.059 -0.516 0.000 1.088 386 L HN 0.106 nan 8.230 nan 0.000 0.479 387 H N -1.120 117.924 119.070 -0.044 0.000 2.947 387 H HA 0.268 4.824 4.556 -0.000 0.000 0.222 387 H C -1.935 173.308 175.328 -0.141 0.000 1.414 387 H CA -1.183 54.820 56.048 -0.075 0.000 1.224 387 H CB 0.343 30.056 29.762 -0.083 0.000 2.100 387 H HN 0.072 nan 8.280 nan 0.000 0.524 388 P HA -0.139 nan 4.420 nan 0.000 0.218 388 P C 1.381 178.599 177.300 -0.136 0.000 1.146 388 P CA 1.326 64.324 63.100 -0.170 0.000 0.813 388 P CB 0.586 32.261 31.700 -0.042 0.000 0.778 389 E N -1.202 118.962 120.200 -0.059 0.000 2.452 389 E HA 0.003 4.353 4.350 -0.000 0.000 0.197 389 E C 0.235 176.787 176.600 -0.079 0.000 1.022 389 E CA 0.153 56.519 56.400 -0.057 0.000 0.890 389 E CB -0.450 29.241 29.700 -0.016 0.000 0.918 389 E HN 0.268 nan 8.360 nan 0.000 0.496 390 D N 2.038 122.391 120.400 -0.079 0.000 2.451 390 D HA -0.020 4.620 4.640 -0.000 0.000 0.254 390 D C -1.723 174.497 176.300 -0.134 0.000 1.204 390 D CA -1.537 52.404 54.000 -0.098 0.000 0.896 390 D CB 1.354 42.091 40.800 -0.106 0.000 1.136 390 D HN -0.169 nan 8.370 nan 0.000 0.499 391 P HA -0.148 nan 4.420 nan 0.000 0.213 391 P C 1.105 178.324 177.300 -0.136 0.000 1.170 391 P CA 1.988 65.006 63.100 -0.138 0.000 0.898 391 P CB -0.006 31.615 31.700 -0.131 0.000 0.787 392 A N -0.014 122.740 122.820 -0.110 0.000 1.940 392 A HA -0.308 4.012 4.320 -0.000 0.000 0.221 392 A C 2.239 179.790 177.584 -0.055 0.000 1.190 392 A CA 2.226 54.219 52.037 -0.074 0.000 0.647 392 A CB -1.265 17.700 19.000 -0.059 0.000 0.821 392 A HN 0.122 nan 8.150 nan 0.000 0.457 393 R N -0.838 119.607 120.500 -0.091 0.000 2.093 393 R HA 0.114 4.454 4.340 -0.000 0.000 0.224 393 R C 2.055 178.270 176.300 -0.141 0.000 1.101 393 R CA 1.160 57.205 56.100 -0.090 0.000 0.979 393 R CB -0.405 29.827 30.300 -0.113 0.000 0.877 393 R HN 0.526 nan 8.270 nan 0.000 0.441 394 L N 0.487 121.560 121.223 -0.250 0.000 2.141 394 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 394 L C 2.801 179.656 176.870 -0.025 0.000 1.094 394 L CA 1.031 55.611 54.840 -0.434 0.000 0.763 394 L CB -0.475 41.279 42.059 -0.508 0.000 0.908 394 L HN 0.183 nan 8.230 nan 0.000 0.437 395 R N 0.816 121.331 120.500 0.025 0.000 2.062 395 R HA -0.193 4.147 4.340 -0.000 0.000 0.231 395 R C 2.040 178.518 176.300 0.296 0.000 1.136 395 R CA 1.716 57.923 56.100 0.179 0.000 0.948 395 R CB -0.034 30.251 30.300 -0.025 0.000 0.845 395 R HN 0.215 nan 8.270 nan 0.000 0.430 396 E N 0.260 120.577 120.200 0.195 0.000 2.150 396 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 396 E C 1.683 178.418 176.600 0.226 0.000 0.985 396 E CA 1.318 57.850 56.400 0.220 0.000 0.814 396 E CB -0.134 29.662 29.700 0.161 0.000 0.752 396 E HN 0.472 nan 8.360 nan 0.000 0.466 397 A N 0.196 123.135 122.820 0.199 0.000 1.873 397 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 397 A C 2.090 179.866 177.584 0.320 0.000 1.186 397 A CA 1.145 53.346 52.037 0.273 0.000 0.616 397 A CB -0.632 18.455 19.000 0.145 0.000 0.823 397 A HN 0.304 nan 8.150 nan 0.000 0.442 398 L N -0.239 121.249 121.223 0.442 0.000 2.201 398 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 398 L C 2.581 179.514 176.870 0.105 0.000 1.105 398 L CA 2.169 57.177 54.840 0.279 0.000 0.775 398 L CB -0.500 41.768 42.059 0.348 0.000 0.913 398 L HN 0.366 nan 8.230 nan 0.000 0.440 399 S N -1.061 114.740 115.700 0.168 0.000 2.368 399 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 399 S C 1.713 176.390 174.600 0.128 0.000 1.029 399 S CA 1.404 59.694 58.200 0.150 0.000 0.988 399 S CB -0.310 63.044 63.200 0.257 0.000 0.838 399 S HN 0.549 nan 8.310 nan 0.000 0.462 400 D N 0.790 121.275 120.400 0.142 0.000 2.117 400 D HA -0.053 4.587 4.640 -0.000 0.000 0.198 400 D C 2.166 178.457 176.300 -0.015 0.000 0.982 400 D CA 1.115 55.209 54.000 0.155 0.000 0.828 400 D CB -0.551 40.455 40.800 0.343 0.000 0.967 400 D HN 0.289 nan 8.370 nan 0.000 0.464 401 V N 1.168 120.908 119.914 -0.289 0.000 2.252 401 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 401 V C 2.742 178.758 176.094 -0.131 0.000 1.056 401 V CA 1.324 63.417 62.300 -0.346 0.000 1.022 401 V CB -0.709 30.942 31.823 -0.286 0.000 0.641 401 V HN 0.043 nan 8.190 nan 0.000 0.445 402 V N 0.745 120.606 119.914 -0.088 0.000 2.261 402 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 402 V C 2.667 178.664 176.094 -0.162 0.000 1.047 402 V CA 2.357 64.597 62.300 -0.099 0.000 1.015 402 V CB -1.546 30.266 31.823 -0.019 0.000 0.642 402 V HN 0.620 nan 8.190 nan 0.000 0.446 403 G N -0.241 108.537 108.800 -0.036 0.000 2.491 403 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 403 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 403 G C 1.197 176.033 174.900 -0.105 0.000 1.180 403 G CA 1.316 46.412 45.100 -0.007 0.000 0.774 403 G HN 0.529 nan 8.290 nan 0.000 0.562 404 D N -0.416 119.936 120.400 -0.080 0.000 2.104 404 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 404 D C 2.119 178.115 176.300 -0.507 0.000 0.994 404 D CA 1.465 55.389 54.000 -0.126 0.000 0.830 404 D CB -0.515 40.383 40.800 0.164 0.000 0.959 404 D HN 0.469 nan 8.370 nan 0.000 0.452 405 H N 0.572 119.045 119.070 -0.995 0.000 2.357 405 H HA 0.027 4.583 4.556 -0.000 0.000 0.301 405 H C 1.488 176.376 175.328 -0.733 0.000 1.082 405 H CA 1.705 56.930 56.048 -1.370 0.000 1.342 405 H CB -0.015 28.772 29.762 -1.625 0.000 1.389 405 H HN 0.016 nan 8.280 nan 0.000 0.511 406 N N -0.684 117.495 118.700 -0.868 0.000 2.336 406 N HA -0.022 4.718 4.740 -0.000 0.000 0.177 406 N C 1.468 176.722 175.510 -0.427 0.000 1.018 406 N CA 1.314 53.815 53.050 -0.914 0.000 0.878 406 N CB 0.739 38.159 38.487 -1.778 0.000 0.997 406 N HN 0.292 nan 8.380 nan 0.000 0.433 407 V N -0.145 119.596 119.914 -0.288 0.000 3.054 407 V HA 0.052 4.172 4.120 -0.000 0.000 0.227 407 V C 2.273 178.347 176.094 -0.033 0.000 1.252 407 V CA 0.256 62.532 62.300 -0.041 0.000 1.279 407 V CB -0.198 31.682 31.823 0.094 0.000 1.118 407 V HN -0.144 nan 8.190 nan 0.000 0.504 408 V N 0.019 119.912 119.914 -0.036 0.000 2.287 408 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 408 V C 2.492 178.565 176.094 -0.035 0.000 1.053 408 V CA 2.519 64.808 62.300 -0.020 0.000 1.027 408 V CB -0.892 30.946 31.823 0.025 0.000 0.646 408 V HN 0.653 nan 8.190 nan 0.000 0.447 409 c N -0.477 118.092 118.600 -0.051 0.000 2.450 409 c HA 0.026 4.596 4.570 -0.000 0.000 0.279 409 c C 0.497 174.562 174.090 -0.042 0.000 1.335 409 c CA 0.787 57.111 56.329 -0.009 0.000 1.749 409 c CB -1.617 40.915 42.510 0.037 0.000 1.963 409 c HN 0.474 nan 8.230 nan 0.000 0.501 410 P HA -0.023 nan 4.420 nan 0.000 0.217 410 P C 1.786 179.037 177.300 -0.082 0.000 1.154 410 P CA 1.149 64.187 63.100 -0.103 0.000 0.841 410 P CB -0.087 31.520 31.700 -0.155 0.000 0.788 411 V N 0.324 120.194 119.914 -0.072 0.000 2.307 411 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 411 V C 2.452 178.468 176.094 -0.130 0.000 1.045 411 V CA 2.251 64.497 62.300 -0.090 0.000 1.024 411 V CB -1.694 30.081 31.823 -0.079 0.000 0.651 411 V HN 0.074 nan 8.190 nan 0.000 0.449 412 A N -0.682 122.074 122.820 -0.107 0.000 1.883 412 A HA -0.348 3.972 4.320 -0.000 0.000 0.217 412 A C 2.252 179.812 177.584 -0.040 0.000 1.186 412 A CA 2.397 54.376 52.037 -0.096 0.000 0.624 412 A CB -0.615 18.378 19.000 -0.012 0.000 0.822 412 A HN 0.617 nan 8.150 nan 0.000 0.444 413 Q N -0.949 118.842 119.800 -0.016 0.000 2.050 413 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 413 Q C 2.026 178.019 176.000 -0.013 0.000 0.980 413 Q CA 1.769 57.578 55.803 0.009 0.000 0.840 413 Q CB -0.293 28.447 28.738 0.005 0.000 0.898 413 Q HN 0.545 nan 8.270 nan 0.000 0.424 414 L N 0.812 122.000 121.223 -0.058 0.000 2.013 414 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 414 L C 2.251 179.060 176.870 -0.102 0.000 1.073 414 L CA 2.466 57.254 54.840 -0.086 0.000 0.753 414 L CB -1.063 40.928 42.059 -0.114 0.000 0.890 414 L HN 0.286 nan 8.230 nan 0.000 0.432 415 A N -0.480 122.253 122.820 -0.146 0.000 1.892 415 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 415 A C 2.368 179.973 177.584 0.034 0.000 1.188 415 A CA 1.914 53.832 52.037 -0.198 0.000 0.631 415 A CB -1.714 16.940 19.000 -0.577 0.000 0.822 415 A HN 0.578 nan 8.150 nan 0.000 0.447 416 G N -1.094 107.795 108.800 0.149 0.000 2.418 416 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 416 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 416 G C 1.738 176.713 174.900 0.125 0.000 1.158 416 G CA 0.795 46.038 45.100 0.239 0.000 0.771 416 G HN 0.380 nan 8.290 nan 0.000 0.545 417 R N -0.007 120.538 120.500 0.075 0.000 2.075 417 R HA 0.140 4.480 4.340 -0.000 0.000 0.232 417 R C 2.693 179.052 176.300 0.098 0.000 1.126 417 R CA 0.488 56.638 56.100 0.084 0.000 0.963 417 R CB -0.965 29.384 30.300 0.080 0.000 0.858 417 R HN 0.386 nan 8.270 nan 0.000 0.435 418 L N 0.078 121.293 121.223 -0.012 0.000 1.976 418 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 418 L C 2.643 179.533 176.870 0.033 0.000 1.071 418 L CA 1.613 56.391 54.840 -0.103 0.000 0.746 418 L CB -0.765 41.121 42.059 -0.288 0.000 0.890 418 L HN 0.163 nan 8.230 nan 0.000 0.432 419 A N 0.002 122.848 122.820 0.043 0.000 1.883 419 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 419 A C 2.483 180.102 177.584 0.057 0.000 1.186 419 A CA 1.956 54.031 52.037 0.064 0.000 0.624 419 A CB -0.854 18.226 19.000 0.133 0.000 0.822 419 A HN 0.450 nan 8.150 nan 0.000 0.444 420 A N -0.995 121.868 122.820 0.071 0.000 2.024 420 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 420 A C 1.750 179.358 177.584 0.040 0.000 1.164 420 A CA 1.541 53.612 52.037 0.056 0.000 0.643 420 A CB -0.366 18.672 19.000 0.064 0.000 0.806 420 A HN 0.680 nan 8.150 nan 0.000 0.451 421 Q N -1.648 118.184 119.800 0.054 0.000 2.268 421 Q HA 0.413 4.753 4.340 -0.000 0.000 0.289 421 Q C 0.694 176.559 176.000 -0.225 0.000 0.893 421 Q CA 0.227 56.020 55.803 -0.016 0.000 1.057 421 Q CB 0.424 29.210 28.738 0.081 0.000 1.173 421 Q HN 0.750 nan 8.270 nan 0.000 0.449 422 G N -0.153 108.496 108.800 -0.253 0.000 2.184 422 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.206 422 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.206 422 G C 0.130 174.999 174.900 -0.053 0.000 0.995 422 G CA -0.204 44.615 45.100 -0.469 0.000 0.651 422 G HN 0.524 nan 8.290 nan 0.000 0.511 423 A N -0.277 122.560 122.820 0.029 0.000 2.312 423 A HA 0.885 5.205 4.320 -0.000 0.000 0.328 423 A C 0.232 177.833 177.584 0.028 0.000 1.158 423 A CA -0.302 51.770 52.037 0.058 0.000 0.821 423 A CB 1.005 20.033 19.000 0.047 0.000 1.170 423 A HN 0.730 nan 8.150 nan 0.000 0.490 424 R N 1.071 121.590 120.500 0.032 0.000 2.298 424 R HA 0.513 4.853 4.340 -0.000 0.000 0.310 424 R C -1.218 175.027 176.300 -0.093 0.000 1.068 424 R CA 0.295 56.373 56.100 -0.035 0.000 0.957 424 R CB 0.283 30.605 30.300 0.037 0.000 1.003 424 R HN 0.437 nan 8.270 nan 0.000 0.454 425 V N 5.708 125.473 119.914 -0.248 0.000 2.735 425 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 425 V C -1.264 174.539 176.094 -0.485 0.000 1.061 425 V CA -0.763 61.401 62.300 -0.226 0.000 0.913 425 V CB 1.864 33.658 31.823 -0.048 0.000 1.005 425 V HN 0.654 nan 8.190 nan 0.000 0.428 426 Y N 1.777 122.029 120.300 -0.080 0.000 2.373 426 Y HA 0.780 5.330 4.550 -0.000 0.000 0.336 426 Y C 0.239 176.200 175.900 0.102 0.000 0.979 426 Y CA -0.533 57.506 58.100 -0.102 0.000 1.080 426 Y CB 2.195 40.221 38.460 -0.724 0.000 1.190 426 Y HN 0.768 nan 8.280 nan 0.000 0.446 427 A N 3.476 126.642 122.820 0.575 0.000 2.350 427 A HA 0.869 5.189 4.320 -0.000 0.000 0.324 427 A C -1.728 176.250 177.584 0.656 0.000 1.118 427 A CA -0.668 51.592 52.037 0.371 0.000 0.783 427 A CB 0.879 19.925 19.000 0.076 0.000 1.236 427 A HN 0.728 nan 8.150 nan 0.000 0.457 428 Y N -1.054 119.506 120.300 0.434 0.000 2.609 428 Y HA 0.770 5.320 4.550 -0.000 0.000 0.342 428 Y C -1.290 174.798 175.900 0.313 0.000 1.058 428 Y CA -1.821 56.486 58.100 0.344 0.000 1.055 428 Y CB 1.317 39.997 38.460 0.367 0.000 1.292 428 Y HN 0.387 nan 8.280 nan 0.000 0.476 429 V N 3.456 123.716 119.914 0.577 0.000 2.398 429 V HA 0.213 4.333 4.120 -0.000 0.000 0.282 429 V C -1.143 175.269 176.094 0.531 0.000 1.014 429 V CA -0.643 61.936 62.300 0.465 0.000 0.838 429 V CB 1.005 33.056 31.823 0.379 0.000 1.018 429 V HN 0.732 nan 8.190 nan 0.000 0.432 430 F N 5.560 125.814 119.950 0.506 0.000 2.487 430 F HA 0.312 4.839 4.527 -0.000 0.000 0.364 430 F C 0.939 176.897 175.800 0.264 0.000 1.126 430 F CA -0.004 58.212 58.000 0.360 0.000 1.135 430 F CB 0.460 39.669 39.000 0.349 0.000 1.127 430 F HN 0.673 nan 8.300 nan 0.000 0.559 431 E N 4.690 124.832 120.200 -0.098 0.000 3.037 431 E HA 0.215 4.565 4.350 -0.000 0.000 0.220 431 E C -1.483 175.003 176.600 -0.191 0.000 1.142 431 E CA -0.770 55.601 56.400 -0.049 0.000 0.888 431 E CB 0.481 30.210 29.700 0.049 0.000 1.329 431 E HN 0.718 nan 8.360 nan 0.000 0.409 432 H N 1.345 120.151 119.070 -0.440 0.000 3.240 432 H HA 0.231 4.787 4.556 -0.000 0.000 0.329 432 H C -1.384 173.844 175.328 -0.166 0.000 1.024 432 H CA -0.615 55.182 56.048 -0.418 0.000 1.487 432 H CB 1.068 30.380 29.762 -0.751 0.000 1.909 432 H HN 0.403 nan 8.280 nan 0.000 0.465 433 R N 4.151 124.355 120.500 -0.493 0.000 2.389 433 R HA 0.627 4.967 4.340 -0.000 0.000 0.295 433 R C -0.550 175.514 176.300 -0.394 0.000 1.075 433 R CA -0.111 55.828 56.100 -0.267 0.000 1.005 433 R CB 0.598 30.809 30.300 -0.149 0.000 0.987 433 R HN 0.640 nan 8.270 nan 0.000 0.452 434 A N 3.073 125.913 122.820 0.034 0.000 2.462 434 A HA 0.082 4.402 4.320 -0.000 0.000 0.243 434 A C 1.329 178.964 177.584 0.085 0.000 1.076 434 A CA 0.226 52.447 52.037 0.308 0.000 0.773 434 A CB 0.484 19.852 19.000 0.615 0.000 1.010 434 A HN 1.039 nan 8.150 nan 0.000 0.493 435 S N 1.178 116.937 115.700 0.098 0.000 2.399 435 S HA -0.185 4.285 4.470 -0.000 0.000 0.231 435 S C 1.542 176.082 174.600 -0.099 0.000 1.022 435 S CA 1.845 60.038 58.200 -0.012 0.000 0.983 435 S CB -1.003 62.202 63.200 0.008 0.000 0.803 435 S HN 1.255 nan 8.310 nan 0.000 0.480 436 T N -0.331 114.106 114.554 -0.194 0.000 3.088 436 T HA 0.276 4.626 4.350 -0.000 0.000 0.259 436 T C 0.757 175.363 174.700 -0.157 0.000 1.122 436 T CA -0.356 61.586 62.100 -0.263 0.000 1.095 436 T CB -0.820 67.734 68.868 -0.524 0.000 0.930 436 T HN 0.404 nan 8.240 nan 0.000 0.508 437 L N 3.339 124.516 121.223 -0.077 0.000 2.747 437 L HA -0.058 4.282 4.340 -0.000 0.000 0.286 437 L C 1.508 178.315 176.870 -0.104 0.000 1.216 437 L CA 0.329 55.124 54.840 -0.075 0.000 0.930 437 L CB 0.435 42.458 42.059 -0.061 0.000 1.216 437 L HN 0.510 nan 8.230 nan 0.000 0.486 438 S N 2.406 118.007 115.700 -0.164 0.000 2.575 438 S HA 0.046 4.516 4.470 -0.000 0.000 0.215 438 S C -0.010 174.528 174.600 -0.104 0.000 0.966 438 S CA -0.728 57.343 58.200 -0.215 0.000 0.911 438 S CB -0.025 62.892 63.200 -0.473 0.000 0.780 438 S HN 0.562 nan 8.310 nan 0.000 0.514 439 W N 2.361 123.630 121.300 -0.051 0.000 2.359 439 W HA 0.545 5.205 4.660 -0.000 0.000 0.344 439 W C -2.481 173.950 176.519 -0.147 0.000 1.170 439 W CA -2.310 55.029 57.345 -0.009 0.000 1.296 439 W CB -0.377 29.007 29.460 -0.126 0.000 1.197 439 W HN -0.039 nan 8.180 nan 0.000 0.618 440 P HA -0.142 nan 4.420 nan 0.000 0.267 440 P C 0.703 177.892 177.300 -0.185 0.000 1.201 440 P CA -0.052 62.983 63.100 -0.109 0.000 0.775 440 P CB 0.524 32.095 31.700 -0.215 0.000 0.854 441 L N 3.277 124.471 121.223 -0.049 0.000 2.141 441 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 441 L C 1.770 178.649 176.870 0.014 0.000 1.094 441 L CA 1.267 56.098 54.840 -0.014 0.000 0.763 441 L CB -1.326 40.759 42.059 0.043 0.000 0.908 441 L HN 0.593 nan 8.230 nan 0.000 0.437 442 W N -1.552 119.795 121.300 0.078 0.000 2.538 442 W HA -0.146 4.514 4.660 -0.000 0.000 0.254 442 W C 1.455 178.043 176.519 0.116 0.000 1.249 442 W CA 0.451 57.850 57.345 0.090 0.000 1.253 442 W CB -1.089 28.427 29.460 0.094 0.000 1.130 442 W HN 0.226 nan 8.180 nan 0.000 0.618 443 M N 1.168 120.445 119.600 -0.538 0.000 2.556 443 M HA 0.166 4.646 4.480 -0.000 0.000 0.245 443 M C 1.878 178.089 176.300 -0.147 0.000 1.128 443 M CA 1.113 56.104 55.300 -0.514 0.000 1.069 443 M CB -0.461 31.665 32.600 -0.791 0.000 1.469 443 M HN 0.135 nan 8.290 nan 0.000 0.494 444 G N 1.059 109.823 108.800 -0.061 0.000 2.660 444 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.321 444 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.321 444 G C 0.027 174.927 174.900 0.000 0.000 1.246 444 G CA 0.112 45.215 45.100 0.004 0.000 1.000 444 G HN 0.262 nan 8.290 nan 0.000 0.550 445 V N 4.649 124.605 119.914 0.069 0.000 2.217 445 V HA 0.403 4.523 4.120 -0.000 0.000 0.264 445 V C -1.252 174.957 176.094 0.191 0.000 1.107 445 V CA -0.529 61.859 62.300 0.147 0.000 0.913 445 V CB 0.883 32.833 31.823 0.211 0.000 1.153 445 V HN 0.635 nan 8.190 nan 0.000 0.469 446 P HA 0.041 nan 4.420 nan 0.000 0.274 446 P C -0.177 177.304 177.300 0.301 0.000 1.260 446 P CA -0.341 62.850 63.100 0.152 0.000 0.793 446 P CB 0.657 32.297 31.700 -0.101 0.000 1.048 447 H N -0.427 118.690 119.070 0.079 0.000 3.145 447 H HA 0.275 4.831 4.556 -0.000 0.000 0.288 447 H C 1.529 176.730 175.328 -0.212 0.000 0.969 447 H CA 2.175 58.216 56.048 -0.011 0.000 1.444 447 H CB -1.012 28.731 29.762 -0.032 0.000 1.500 447 H HN 0.768 nan 8.280 nan 0.000 0.552 448 G N 3.900 112.447 108.800 -0.422 0.000 2.176 448 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.232 448 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.232 448 G C 0.202 174.896 174.900 -0.342 0.000 0.986 448 G CA 0.231 45.056 45.100 -0.458 0.000 0.643 448 G HN 0.614 nan 8.290 nan 0.000 0.522 449 Y N 1.260 121.620 120.300 0.099 0.000 2.718 449 Y HA 0.361 4.911 4.550 -0.000 0.000 0.322 449 Y C 1.856 177.810 175.900 0.091 0.000 1.122 449 Y CA 0.465 58.677 58.100 0.187 0.000 1.348 449 Y CB 0.428 39.029 38.460 0.235 0.000 1.174 449 Y HN 0.506 nan 8.280 nan 0.000 0.523 450 E N -0.979 119.112 120.200 -0.182 0.000 2.474 450 E HA 0.036 4.386 4.350 -0.000 0.000 0.215 450 E C 1.400 177.778 176.600 -0.371 0.000 0.867 450 E CA 0.370 56.209 56.400 -0.935 0.000 1.135 450 E CB -0.414 28.486 29.700 -1.332 0.000 1.147 450 E HN 0.503 nan 8.360 nan 0.000 0.534 451 I N 2.884 123.385 120.570 -0.116 0.000 2.127 451 I HA -0.305 3.865 4.170 -0.000 0.000 0.241 451 I C 2.541 178.630 176.117 -0.046 0.000 1.075 451 I CA 2.244 63.531 61.300 -0.021 0.000 1.334 451 I CB -0.548 37.485 38.000 0.056 0.000 1.040 451 I HN 0.176 nan 8.210 nan 0.000 0.405 452 E N 0.956 121.115 120.200 -0.069 0.000 2.219 452 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 452 E C 1.952 178.383 176.600 -0.282 0.000 0.998 452 E CA 1.611 57.892 56.400 -0.198 0.000 0.818 452 E CB -0.509 29.085 29.700 -0.176 0.000 0.741 452 E HN 0.452 nan 8.360 nan 0.000 0.477 453 F N 0.886 120.727 119.950 -0.183 0.000 2.317 453 F HA 0.060 4.587 4.527 -0.000 0.000 0.293 453 F C 2.219 177.813 175.800 -0.343 0.000 1.085 453 F CA 0.256 58.117 58.000 -0.232 0.000 1.390 453 F CB -0.069 38.867 39.000 -0.107 0.000 1.077 453 F HN -0.044 nan 8.300 nan 0.000 0.517 454 I N -0.813 119.632 120.570 -0.208 0.000 2.361 454 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 454 I C 1.721 177.629 176.117 -0.348 0.000 1.133 454 I CA 1.599 62.614 61.300 -0.475 0.000 1.413 454 I CB -1.247 36.405 38.000 -0.579 0.000 1.073 454 I HN 0.082 nan 8.210 nan 0.000 0.424 455 F N 0.886 120.626 119.950 -0.350 0.000 2.765 455 F HA 0.293 4.820 4.527 -0.000 0.000 0.302 455 F C 1.815 177.426 175.800 -0.314 0.000 1.111 455 F CA 0.364 58.179 58.000 -0.309 0.000 1.359 455 F CB -0.419 38.382 39.000 -0.331 0.000 1.097 455 F HN 0.239 nan 8.300 nan 0.000 0.577 456 G N 0.730 109.385 108.800 -0.243 0.000 2.249 456 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.273 456 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.273 456 G C 1.107 175.579 174.900 -0.714 0.000 1.036 456 G CA 0.495 45.380 45.100 -0.359 0.000 0.824 456 G HN 0.263 nan 8.290 nan 0.000 0.504 457 I N 0.096 120.207 120.570 -0.765 0.000 2.454 457 I HA -0.074 4.096 4.170 -0.000 0.000 0.254 457 I C 0.279 175.732 176.117 -1.107 0.000 1.156 457 I CA 1.013 61.729 61.300 -0.973 0.000 1.433 457 I CB -1.869 35.726 38.000 -0.674 0.000 1.082 457 I HN 0.133 nan 8.210 nan 0.000 0.432 458 P HA -0.115 nan 4.420 nan 0.000 0.219 458 P C 2.131 179.081 177.300 -0.583 0.000 1.146 458 P CA 1.067 63.408 63.100 -1.265 0.000 0.808 458 P CB -0.008 31.100 31.700 -0.987 0.000 0.779 459 L N -1.239 119.654 121.223 -0.550 0.000 2.362 459 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 459 L C 0.927 177.721 176.870 -0.127 0.000 1.134 459 L CA 0.581 55.272 54.840 -0.249 0.000 0.807 459 L CB -1.009 41.018 42.059 -0.054 0.000 0.927 459 L HN 0.053 nan 8.230 nan 0.000 0.447 460 D N 0.303 120.445 120.400 -0.430 0.000 2.417 460 D HA 0.044 4.684 4.640 -0.000 0.000 0.250 460 D C -1.583 174.726 176.300 0.014 0.000 1.166 460 D CA -1.611 52.353 54.000 -0.060 0.000 0.881 460 D CB 1.449 42.140 40.800 -0.181 0.000 1.164 460 D HN -0.154 nan 8.370 nan 0.000 0.467 461 P HA -0.167 nan 4.420 nan 0.000 0.214 461 P C 1.278 178.600 177.300 0.036 0.000 1.163 461 P CA 1.661 64.793 63.100 0.053 0.000 0.883 461 P CB -0.076 31.657 31.700 0.055 0.000 0.788 462 S N -1.110 114.610 115.700 0.035 0.000 2.488 462 S HA -0.142 4.328 4.470 -0.000 0.000 0.246 462 S C 0.884 175.486 174.600 0.003 0.000 0.992 462 S CA 0.774 58.981 58.200 0.013 0.000 0.963 462 S CB -0.876 62.329 63.200 0.009 0.000 0.754 462 S HN 0.098 nan 8.310 nan 0.000 0.519 463 R N 1.125 121.641 120.500 0.027 0.000 2.532 463 R HA 0.404 4.744 4.340 -0.000 0.000 0.295 463 R C -1.050 175.284 176.300 0.057 0.000 0.968 463 R CA -0.536 55.592 56.100 0.045 0.000 0.916 463 R CB 0.504 30.904 30.300 0.165 0.000 1.124 463 R HN 0.179 nan 8.270 nan 0.000 0.463 464 N N 1.947 120.612 118.700 -0.059 0.000 3.259 464 N HA 0.079 4.819 4.740 -0.000 0.000 0.308 464 N C -1.203 174.232 175.510 -0.124 0.000 1.334 464 N CA 0.058 53.062 53.050 -0.077 0.000 1.202 464 N CB -0.052 38.369 38.487 -0.109 0.000 1.485 464 N HN 0.381 nan 8.380 nan 0.000 0.549 465 Y N -0.153 120.113 120.300 -0.055 0.000 2.326 465 Y HA 0.233 4.783 4.550 -0.000 0.000 0.324 465 Y C 1.690 177.592 175.900 0.003 0.000 1.291 465 Y CA -0.965 57.117 58.100 -0.029 0.000 1.348 465 Y CB 0.512 38.926 38.460 -0.076 0.000 1.294 465 Y HN 0.083 nan 8.280 nan 0.000 0.525 466 T N -1.708 112.967 114.554 0.202 0.000 2.868 466 T HA 0.394 4.744 4.350 -0.000 0.000 0.292 466 T C 1.136 175.912 174.700 0.127 0.000 1.028 466 T CA -0.275 61.905 62.100 0.133 0.000 1.059 466 T CB 1.207 70.153 68.868 0.129 0.000 0.991 466 T HN 0.767 nan 8.240 nan 0.000 0.531 467 A N 1.144 124.014 122.820 0.083 0.000 1.969 467 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 467 A C 2.158 179.786 177.584 0.074 0.000 1.169 467 A CA 1.503 53.580 52.037 0.066 0.000 0.635 467 A CB -0.889 18.137 19.000 0.045 0.000 0.810 467 A HN 1.012 nan 8.150 nan 0.000 0.445 468 E N 0.023 120.271 120.200 0.080 0.000 2.208 468 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 468 E C 1.512 178.185 176.600 0.121 0.000 0.988 468 E CA 1.071 57.515 56.400 0.072 0.000 0.828 468 E CB -0.272 29.451 29.700 0.038 0.000 0.763 468 E HN 0.737 nan 8.360 nan 0.000 0.478 469 E N 1.315 121.633 120.200 0.197 0.000 2.170 469 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 469 E C 1.825 178.582 176.600 0.262 0.000 0.981 469 E CA 0.415 57.030 56.400 0.359 0.000 0.830 469 E CB 0.068 30.089 29.700 0.534 0.000 0.775 469 E HN 0.198 nan 8.360 nan 0.000 0.470 470 K N 0.612 121.085 120.400 0.123 0.000 2.147 470 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 470 K C 2.028 178.653 176.600 0.041 0.000 1.049 470 K CA 0.875 57.173 56.287 0.018 0.000 0.936 470 K CB 0.032 32.537 32.500 0.009 0.000 0.722 470 K HN 0.165 nan 8.250 nan 0.000 0.446 471 I N -0.097 120.527 120.570 0.090 0.000 2.406 471 I HA -0.200 3.970 4.170 -0.000 0.000 0.249 471 I C 2.162 178.357 176.117 0.131 0.000 1.122 471 I CA 0.508 61.855 61.300 0.079 0.000 1.431 471 I CB -0.239 37.804 38.000 0.071 0.000 1.087 471 I HN 0.015 nan 8.210 nan 0.000 0.424 472 F N 2.608 122.563 119.950 0.009 0.000 2.069 472 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 472 F C 2.542 178.377 175.800 0.059 0.000 1.113 472 F CA 1.424 59.432 58.000 0.014 0.000 1.214 472 F CB -0.756 38.238 39.000 -0.010 0.000 0.978 472 F HN 0.021 nan 8.300 nan 0.000 0.474 473 A N -0.023 122.814 122.820 0.028 0.000 1.917 473 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 473 A C 2.162 179.642 177.584 -0.174 0.000 1.182 473 A CA 2.091 54.047 52.037 -0.136 0.000 0.633 473 A CB -1.010 17.900 19.000 -0.150 0.000 0.819 473 A HN 0.656 nan 8.150 nan 0.000 0.448 474 Q N -1.344 118.395 119.800 -0.102 0.000 2.124 474 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 474 Q C 2.365 178.281 176.000 -0.140 0.000 0.977 474 Q CA 1.534 57.279 55.803 -0.098 0.000 0.850 474 Q CB -0.163 28.544 28.738 -0.051 0.000 0.901 474 Q HN 0.713 nan 8.270 nan 0.000 0.429 475 R N 0.529 120.942 120.500 -0.146 0.000 2.092 475 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 475 R C 2.034 178.089 176.300 -0.409 0.000 1.119 475 R CA 0.824 56.773 56.100 -0.252 0.000 0.970 475 R CB -0.017 30.222 30.300 -0.102 0.000 0.864 475 R HN 0.226 nan 8.270 nan 0.000 0.440 476 L N -0.033 121.030 121.223 -0.266 0.000 2.044 476 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 476 L C 2.591 179.412 176.870 -0.082 0.000 1.075 476 L CA 1.240 56.005 54.840 -0.124 0.000 0.747 476 L CB -0.320 41.498 42.059 -0.403 0.000 0.903 476 L HN 0.274 nan 8.230 nan 0.000 0.435 477 M N -0.667 118.821 119.600 -0.186 0.000 2.144 477 M HA -0.256 4.224 4.480 -0.000 0.000 0.260 477 M C 2.408 178.699 176.300 -0.015 0.000 1.067 477 M CA 1.556 56.775 55.300 -0.134 0.000 1.095 477 M CB -0.426 32.083 32.600 -0.153 0.000 1.365 477 M HN 0.136 nan 8.290 nan 0.000 0.406 478 R N 0.238 120.694 120.500 -0.072 0.000 2.073 478 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 478 R C 1.740 178.088 176.300 0.080 0.000 1.134 478 R CA 1.978 58.042 56.100 -0.059 0.000 0.952 478 R CB -0.931 29.259 30.300 -0.184 0.000 0.850 478 R HN 0.279 nan 8.270 nan 0.000 0.433 479 Y N -0.618 119.802 120.300 0.199 0.000 2.053 479 Y HA -0.275 4.275 4.550 -0.000 0.000 0.277 479 Y C 2.403 178.467 175.900 0.273 0.000 1.159 479 Y CA 1.533 59.800 58.100 0.278 0.000 1.125 479 Y CB -1.069 37.694 38.460 0.505 0.000 0.969 479 Y HN 0.160 nan 8.280 nan 0.000 0.492 480 W N -0.348 121.028 121.300 0.126 0.000 2.335 480 W HA -0.275 4.385 4.660 -0.000 0.000 0.311 480 W C 2.637 179.156 176.519 -0.000 0.000 1.213 480 W CA 1.317 58.669 57.345 0.012 0.000 1.274 480 W CB -0.615 28.770 29.460 -0.125 0.000 1.148 480 W HN 0.110 nan 8.180 nan 0.000 0.498 481 A N 0.570 123.506 122.820 0.193 0.000 1.883 481 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 481 A C 1.637 179.254 177.584 0.055 0.000 1.186 481 A CA 2.067 54.145 52.037 0.068 0.000 0.624 481 A CB -1.365 17.652 19.000 0.028 0.000 0.822 481 A HN 0.453 nan 8.150 nan 0.000 0.444 482 N N -1.703 117.047 118.700 0.083 0.000 2.166 482 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 482 N C 1.555 177.076 175.510 0.018 0.000 1.019 482 N CA 1.398 54.477 53.050 0.048 0.000 0.856 482 N CB -0.245 38.287 38.487 0.075 0.000 0.993 482 N HN 0.530 nan 8.380 nan 0.000 0.426 483 F N 1.950 121.830 119.950 -0.116 0.000 2.113 483 F HA -0.035 4.492 4.527 -0.000 0.000 0.297 483 F C 2.320 178.054 175.800 -0.111 0.000 1.103 483 F CA 1.124 59.013 58.000 -0.185 0.000 1.248 483 F CB -0.537 38.276 39.000 -0.311 0.000 0.999 483 F HN -0.051 nan 8.300 nan 0.000 0.475 484 A N 0.641 123.413 122.820 -0.080 0.000 1.883 484 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 484 A C 2.388 179.881 177.584 -0.151 0.000 1.186 484 A CA 1.970 53.933 52.037 -0.123 0.000 0.624 484 A CB -0.770 18.210 19.000 -0.033 0.000 0.822 484 A HN 0.456 nan 8.150 nan 0.000 0.444 485 R N -1.300 119.138 120.500 -0.104 0.000 2.066 485 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 485 R C 2.143 178.369 176.300 -0.123 0.000 1.131 485 R CA 1.893 57.941 56.100 -0.088 0.000 0.955 485 R CB -0.310 29.962 30.300 -0.047 0.000 0.851 485 R HN 0.730 nan 8.270 nan 0.000 0.432 486 T N -4.637 109.827 114.554 -0.150 0.000 3.003 486 T HA 0.229 4.579 4.350 -0.000 0.000 0.261 486 T C 1.011 175.582 174.700 -0.214 0.000 1.003 486 T CA 0.377 62.391 62.100 -0.143 0.000 0.917 486 T CB 1.290 70.111 68.868 -0.079 0.000 1.084 486 T HN 0.357 nan 8.240 nan 0.000 0.522 487 G N 1.255 109.794 108.800 -0.436 0.000 2.182 487 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.248 487 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.248 487 G C -0.456 174.337 174.900 -0.178 0.000 1.042 487 G CA 0.138 44.851 45.100 -0.646 0.000 0.775 487 G HN 0.800 nan 8.290 nan 0.000 0.501 488 D N -1.329 119.006 120.400 -0.108 0.000 2.688 488 D HA 0.344 4.984 4.640 -0.000 0.000 0.210 488 D C -1.560 174.626 176.300 -0.191 0.000 1.333 488 D CA -1.206 52.707 54.000 -0.145 0.000 0.920 488 D CB 1.504 42.272 40.800 -0.055 0.000 1.554 488 D HN -0.047 nan 8.370 nan 0.000 0.579 489 P HA -0.105 nan 4.420 nan 0.000 0.213 489 P C 0.004 177.367 177.300 0.104 0.000 1.170 489 P CA 1.098 64.037 63.100 -0.269 0.000 0.902 489 P CB 0.014 31.184 31.700 -0.885 0.000 0.789 490 N N 1.086 119.834 118.700 0.080 0.000 2.518 490 N HA -0.001 4.739 4.740 -0.000 0.000 0.266 490 N C -0.246 175.344 175.510 0.134 0.000 1.196 490 N CA -0.552 52.638 53.050 0.233 0.000 0.947 490 N CB 0.159 38.791 38.487 0.242 0.000 1.098 490 N HN -0.010 nan 8.380 nan 0.000 0.450 491 E N 1.449 121.731 120.200 0.136 0.000 3.359 491 E HA -0.080 4.270 4.350 -0.000 0.000 0.219 491 E C -1.705 174.930 176.600 0.058 0.000 1.052 491 E CA 0.037 56.484 56.400 0.078 0.000 0.906 491 E CB -0.787 28.953 29.700 0.067 0.000 0.939 491 E HN 0.532 nan 8.360 nan 0.000 0.543 496 K N -0.325 120.109 120.400 0.056 0.000 2.440 496 K HA 0.672 4.992 4.320 -0.000 0.000 0.206 496 K C 0.061 176.698 176.600 0.061 0.000 1.025 496 K CA -0.097 56.222 56.287 0.054 0.000 1.135 496 K CB 0.803 33.328 32.500 0.042 0.000 0.856 496 K HN 0.428 nan 8.250 nan 0.000 0.502 497 A N 2.021 124.887 122.820 0.076 0.000 2.282 497 A HA 0.493 4.813 4.320 -0.000 0.000 0.319 497 A C -2.483 175.165 177.584 0.106 0.000 1.121 497 A CA -1.707 50.383 52.037 0.088 0.000 0.836 497 A CB 0.138 19.199 19.000 0.101 0.000 1.146 497 A HN -0.038 nan 8.150 nan 0.000 0.494 498 P HA 0.074 nan 4.420 nan 0.000 0.259 498 P C -0.627 176.760 177.300 0.145 0.000 1.163 498 P CA 0.622 63.783 63.100 0.101 0.000 0.760 498 P CB 0.272 32.021 31.700 0.081 0.000 0.762 499 Q N 1.926 121.811 119.800 0.142 0.000 2.259 499 Q HA 0.311 4.651 4.340 -0.000 0.000 0.249 499 Q C -1.086 175.068 176.000 0.258 0.000 0.914 499 Q CA -0.082 55.840 55.803 0.198 0.000 0.904 499 Q CB 0.490 29.329 28.738 0.169 0.000 1.213 499 Q HN 0.451 nan 8.270 nan 0.000 0.428 500 W N 6.596 127.956 121.300 0.100 0.000 2.311 500 W HA 0.408 5.068 4.660 -0.000 0.000 0.317 500 W C -2.536 174.118 176.519 0.225 0.000 1.065 500 W CA -2.714 54.700 57.345 0.115 0.000 1.364 500 W CB 0.499 29.975 29.460 0.028 0.000 1.233 500 W HN 0.501 nan 8.180 nan 0.000 0.409 501 P HA 0.238 nan 4.420 nan 0.000 0.278 501 P C -2.437 175.132 177.300 0.449 0.000 1.238 501 P CA -1.234 62.120 63.100 0.423 0.000 0.794 501 P CB 0.554 32.406 31.700 0.254 0.000 0.955 502 P HA 0.025 nan 4.420 nan 0.000 0.274 502 P C -1.016 176.307 177.300 0.039 0.000 1.231 502 P CA -0.135 62.848 63.100 -0.196 0.000 0.790 502 P CB 0.400 31.895 31.700 -0.341 0.000 0.951 503 Y N 1.891 122.142 120.300 -0.082 0.000 2.539 503 Y HA 0.226 4.776 4.550 -0.000 0.000 0.352 503 Y C 0.712 176.607 175.900 -0.007 0.000 1.004 503 Y CA 0.147 58.266 58.100 0.032 0.000 1.278 503 Y CB 0.056 38.556 38.460 0.065 0.000 1.136 503 Y HN 0.302 nan 8.280 nan 0.000 0.528 504 T N 3.491 117.893 114.554 -0.254 0.000 2.922 504 T HA 0.494 4.844 4.350 -0.000 0.000 0.285 504 T C 1.171 175.667 174.700 -0.339 0.000 1.005 504 T CA -0.198 61.791 62.100 -0.185 0.000 1.061 504 T CB 1.350 70.148 68.868 -0.116 0.000 1.007 504 T HN 0.821 nan 8.240 nan 0.000 0.502 505 A N 2.953 125.701 122.820 -0.119 0.000 2.015 505 A HA 0.225 4.545 4.320 -0.000 0.000 0.219 505 A C 2.116 179.645 177.584 -0.093 0.000 1.163 505 A CA 1.663 53.662 52.037 -0.063 0.000 0.646 505 A CB -1.159 17.859 19.000 0.029 0.000 0.806 505 A HN 0.996 nan 8.150 nan 0.000 0.448 506 G N -0.774 107.972 108.800 -0.091 0.000 2.572 506 G HA2 0.189 4.149 3.960 -0.000 0.000 0.214 506 G HA3 0.189 4.149 3.960 -0.000 0.000 0.214 506 G C 1.744 176.595 174.900 -0.082 0.000 1.246 506 G CA 0.920 45.985 45.100 -0.059 0.000 0.835 506 G HN 0.700 nan 8.290 nan 0.000 0.551 507 A N -0.266 122.496 122.820 -0.096 0.000 2.019 507 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 507 A C 1.386 178.895 177.584 -0.125 0.000 1.164 507 A CA 1.676 53.666 52.037 -0.079 0.000 0.644 507 A CB -0.492 18.476 19.000 -0.054 0.000 0.805 507 A HN 0.569 nan 8.150 nan 0.000 0.449 508 Q N -0.708 118.894 119.800 -0.330 0.000 2.439 508 Q HA -0.221 4.119 4.340 -0.000 0.000 0.325 508 Q C -0.678 175.259 176.000 -0.104 0.000 1.372 508 Q CA 0.690 56.166 55.803 -0.546 0.000 0.909 508 Q CB -1.617 27.015 28.738 -0.177 0.000 1.167 508 Q HN 0.863 nan 8.270 nan 0.000 0.418 509 Q N 0.340 120.112 119.800 -0.046 0.000 2.259 509 Q HA 0.611 4.951 4.340 -0.000 0.000 0.246 509 Q C -0.421 175.866 176.000 0.477 0.000 0.920 509 Q CA -0.310 55.608 55.803 0.191 0.000 0.895 509 Q CB 0.846 29.649 28.738 0.109 0.000 1.220 509 Q HN 0.377 nan 8.270 nan 0.000 0.439 510 Y N -2.140 118.294 120.300 0.223 0.000 2.670 510 Y HA 0.705 5.255 4.550 -0.000 0.000 0.334 510 Y C -1.331 174.575 175.900 0.010 0.000 1.185 510 Y CA -1.556 56.679 58.100 0.226 0.000 1.053 510 Y CB 0.461 39.067 38.460 0.244 0.000 1.298 510 Y HN 0.391 nan 8.280 nan 0.000 0.459 511 V N -0.310 119.474 119.914 -0.215 0.000 2.815 511 V HA 0.870 4.990 4.120 -0.000 0.000 0.314 511 V C -0.261 175.718 176.094 -0.193 0.000 1.064 511 V CA -0.487 61.550 62.300 -0.437 0.000 0.952 511 V CB 1.321 32.646 31.823 -0.830 0.000 1.020 511 V HN 1.275 nan 8.190 nan 0.000 0.439 512 S N 3.975 119.576 115.700 -0.165 0.000 2.499 512 S HA 0.697 5.167 4.470 -0.000 0.000 0.279 512 S C -0.486 174.097 174.600 -0.028 0.000 1.219 512 S CA -0.664 57.530 58.200 -0.011 0.000 1.062 512 S CB 0.633 63.819 63.200 -0.024 0.000 0.978 512 S HN 0.781 nan 8.310 nan 0.000 0.489 513 L N 4.087 125.343 121.223 0.056 0.000 2.283 513 L HA 0.526 4.866 4.340 -0.000 0.000 0.281 513 L C -0.597 176.248 176.870 -0.041 0.000 1.033 513 L CA -0.396 54.503 54.840 0.100 0.000 0.848 513 L CB 0.207 42.407 42.059 0.236 0.000 1.226 513 L HN 0.850 nan 8.230 nan 0.000 0.429 514 D N 1.762 122.068 120.400 -0.156 0.000 2.895 514 D HA 0.271 4.911 4.640 -0.000 0.000 0.320 514 D C 0.728 176.474 176.300 -0.923 0.000 1.249 514 D CA -0.765 52.862 54.000 -0.622 0.000 0.997 514 D CB 0.688 41.290 40.800 -0.331 0.000 1.430 514 D HN 0.091 nan 8.370 nan 0.000 0.558 515 L N -1.027 119.647 121.223 -0.915 0.000 2.141 515 L HA 0.076 4.416 4.340 -0.000 0.000 0.209 515 L C 1.378 178.082 176.870 -0.278 0.000 1.094 515 L CA 0.698 55.139 54.840 -0.665 0.000 0.763 515 L CB -0.470 41.300 42.059 -0.481 0.000 0.908 515 L HN 0.072 nan 8.230 nan 0.000 0.437 516 R N 0.251 120.629 120.500 -0.203 0.000 2.774 516 R HA 0.149 4.489 4.340 -0.000 0.000 0.269 516 R C -2.065 174.206 176.300 -0.049 0.000 1.068 516 R CA -1.563 54.479 56.100 -0.097 0.000 1.180 516 R CB -0.399 29.854 30.300 -0.078 0.000 1.077 516 R HN -0.082 nan 8.270 nan 0.000 0.513 517 P HA 0.002 nan 4.420 nan 0.000 0.274 517 P C -0.401 176.910 177.300 0.017 0.000 1.260 517 P CA -0.251 62.868 63.100 0.033 0.000 0.793 517 P CB 0.417 32.136 31.700 0.032 0.000 1.048 518 L N 0.980 122.227 121.223 0.040 0.000 2.559 518 L HA 0.028 4.368 4.340 -0.000 0.000 0.274 518 L C 0.989 177.823 176.870 -0.061 0.000 1.205 518 L CA 0.824 55.642 54.840 -0.037 0.000 0.907 518 L CB -0.301 41.734 42.059 -0.040 0.000 1.153 518 L HN 0.439 nan 8.230 nan 0.000 0.490 519 E N 3.088 123.222 120.200 -0.110 0.000 2.199 519 E HA 0.387 4.737 4.350 -0.000 0.000 0.265 519 E C -1.336 175.157 176.600 -0.178 0.000 0.882 519 E CA -0.707 55.629 56.400 -0.107 0.000 0.759 519 E CB 2.103 31.749 29.700 -0.091 0.000 1.148 519 E HN 0.288 nan 8.360 nan 0.000 0.412 520 V N 4.672 124.495 119.914 -0.150 0.000 2.567 520 V HA 0.483 4.603 4.120 -0.000 0.000 0.289 520 V C 0.238 176.190 176.094 -0.237 0.000 1.049 520 V CA -0.283 61.900 62.300 -0.196 0.000 0.969 520 V CB 1.294 33.065 31.823 -0.085 0.000 0.995 520 V HN 0.686 nan 8.190 nan 0.000 0.471 521 R N 3.142 123.392 120.500 -0.418 0.000 2.808 521 R HA 0.669 5.009 4.340 -0.000 0.000 0.272 521 R C -0.944 175.226 176.300 -0.217 0.000 0.995 521 R CA -1.016 54.864 56.100 -0.367 0.000 0.917 521 R CB 2.604 32.582 30.300 -0.537 0.000 1.217 521 R HN 0.589 nan 8.270 nan 0.000 0.471 522 R N 0.117 120.629 120.500 0.021 0.000 2.664 522 R HA 0.557 4.897 4.340 -0.000 0.000 0.286 522 R C -0.499 175.979 176.300 0.298 0.000 0.967 522 R CA -0.471 55.721 56.100 0.154 0.000 0.933 522 R CB 2.014 32.361 30.300 0.079 0.000 1.146 522 R HN 0.881 nan 8.270 nan 0.000 0.468 523 G N 1.730 110.714 108.800 0.306 0.000 3.450 523 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.668 523 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.668 523 G C -0.943 174.120 174.900 0.273 0.000 0.941 523 G CA -0.830 44.426 45.100 0.261 0.000 0.766 523 G HN 0.378 nan 8.290 nan 0.000 0.451 524 L N 3.219 124.521 121.223 0.132 0.000 2.512 524 L HA 0.628 4.968 4.340 -0.000 0.000 0.247 524 L C 1.269 178.152 176.870 0.022 0.000 1.204 524 L CA -0.170 54.611 54.840 -0.098 0.000 1.153 524 L CB -0.382 41.612 42.059 -0.108 0.000 1.415 524 L HN 0.923 nan 8.230 nan 0.000 0.406 525 R N 1.643 122.194 120.500 0.085 0.000 3.336 525 R HA -0.271 4.069 4.340 -0.000 0.000 0.260 525 R C 1.270 177.669 176.300 0.164 0.000 1.032 525 R CA 0.739 56.924 56.100 0.143 0.000 0.693 525 R CB -1.288 29.099 30.300 0.145 0.000 1.134 525 R HN 0.684 nan 8.270 nan 0.000 0.433 526 A N 0.185 123.097 122.820 0.153 0.000 1.883 526 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 526 A C 1.768 179.443 177.584 0.151 0.000 1.186 526 A CA 1.489 53.615 52.037 0.148 0.000 0.624 526 A CB -0.272 18.808 19.000 0.133 0.000 0.822 526 A HN 0.552 nan 8.150 nan 0.000 0.444 527 Q N -0.386 119.506 119.800 0.153 0.000 2.096 527 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 527 Q C 2.410 178.512 176.000 0.170 0.000 0.982 527 Q CA 1.842 57.741 55.803 0.160 0.000 0.850 527 Q CB -0.922 27.914 28.738 0.163 0.000 0.901 527 Q HN 0.668 nan 8.270 nan 0.000 0.422 528 A N 0.060 123.001 122.820 0.202 0.000 1.873 528 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 528 A C 2.506 180.253 177.584 0.273 0.000 1.186 528 A CA 1.353 53.474 52.037 0.141 0.000 0.616 528 A CB -0.904 18.308 19.000 0.354 0.000 0.823 528 A HN 0.473 nan 8.150 nan 0.000 0.442 529 c N -0.691 118.093 118.600 0.306 0.000 2.419 529 c HA 0.118 4.688 4.570 -0.000 0.000 0.283 529 c C 3.150 177.380 174.090 0.233 0.000 1.373 529 c CA 0.533 57.054 56.329 0.320 0.000 1.781 529 c CB -1.411 41.229 42.510 0.216 0.000 1.886 529 c HN 0.679 nan 8.230 nan 0.000 0.520 530 A N -0.160 122.763 122.820 0.172 0.000 1.968 530 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 530 A C 1.809 179.474 177.584 0.136 0.000 1.169 530 A CA 1.196 53.313 52.037 0.134 0.000 0.638 530 A CB -0.625 18.443 19.000 0.114 0.000 0.812 530 A HN 0.542 nan 8.150 nan 0.000 0.446 531 F N -0.650 119.265 119.950 -0.058 0.000 2.060 531 F HA -0.108 4.419 4.527 -0.000 0.000 0.295 531 F C 1.934 177.679 175.800 -0.092 0.000 1.120 531 F CA 1.394 59.300 58.000 -0.156 0.000 1.205 531 F CB -0.816 37.858 39.000 -0.543 0.000 0.986 531 F HN 0.354 nan 8.300 nan 0.000 0.470 532 W N 0.995 122.154 121.300 -0.236 0.000 2.358 532 W HA -0.196 4.464 4.660 -0.000 0.000 0.303 532 W C 2.301 178.702 176.519 -0.197 0.000 1.208 532 W CA 1.274 58.437 57.345 -0.304 0.000 1.274 532 W CB -0.594 28.862 29.460 -0.007 0.000 1.138 532 W HN 0.025 nan 8.180 nan 0.000 0.515 533 N N -0.578 118.206 118.700 0.141 0.000 2.368 533 N HA 0.021 4.761 4.740 -0.000 0.000 0.176 533 N C 1.620 177.145 175.510 0.026 0.000 1.021 533 N CA 0.955 54.051 53.050 0.077 0.000 0.888 533 N CB -0.254 38.288 38.487 0.092 0.000 0.995 533 N HN 0.275 nan 8.380 nan 0.000 0.437 534 R N -0.981 119.540 120.500 0.035 0.000 2.121 534 R HA 0.178 4.518 4.340 -0.000 0.000 0.206 534 R C 1.635 177.958 176.300 0.038 0.000 1.094 534 R CA 0.082 56.208 56.100 0.044 0.000 1.055 534 R CB -0.353 29.998 30.300 0.085 0.000 0.964 534 R HN 0.062 nan 8.270 nan 0.000 0.473 535 F N 2.303 122.195 119.950 -0.098 0.000 2.059 535 F HA -0.050 4.477 4.527 -0.000 0.000 0.289 535 F C 2.160 177.850 175.800 -0.184 0.000 1.128 535 F CA 0.867 58.810 58.000 -0.095 0.000 1.181 535 F CB -0.583 38.419 39.000 0.004 0.000 1.012 535 F HN -0.155 nan 8.300 nan 0.000 0.473 536 L N 1.429 122.327 121.223 -0.542 0.000 2.113 536 L HA -0.234 4.106 4.340 -0.000 0.000 0.221 536 L C -0.759 175.851 176.870 -0.434 0.000 1.084 536 L CA 2.666 57.119 54.840 -0.646 0.000 0.787 536 L CB -2.330 39.207 42.059 -0.870 0.000 0.893 536 L HN 0.130 nan 8.230 nan 0.000 0.440 537 P HA -0.158 nan 4.420 nan 0.000 0.214 537 P C 1.563 178.725 177.300 -0.229 0.000 1.162 537 P CA 1.628 64.608 63.100 -0.200 0.000 0.879 537 P CB -0.038 31.586 31.700 -0.127 0.000 0.786 538 K N -0.632 119.605 120.400 -0.272 0.000 2.103 538 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 538 K C 2.117 178.522 176.600 -0.325 0.000 1.048 538 K CA 1.090 57.225 56.287 -0.253 0.000 0.930 538 K CB -0.872 31.498 32.500 -0.217 0.000 0.716 538 K HN 0.139 nan 8.250 nan 0.000 0.444 539 L N 1.189 122.083 121.223 -0.548 0.000 1.961 539 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 539 L C 2.155 178.882 176.870 -0.238 0.000 1.072 539 L CA 1.311 55.874 54.840 -0.463 0.000 0.749 539 L CB -0.252 41.430 42.059 -0.629 0.000 0.889 539 L HN 0.146 nan 8.230 nan 0.000 0.432 540 L N -0.476 120.618 121.223 -0.215 0.000 2.043 540 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 540 L C 2.865 179.674 176.870 -0.103 0.000 1.075 540 L CA 1.559 56.322 54.840 -0.128 0.000 0.752 540 L CB -0.815 41.177 42.059 -0.113 0.000 0.891 540 L HN 0.439 nan 8.230 nan 0.000 0.432 541 S N 0.078 115.708 115.700 -0.115 0.000 2.359 541 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 541 S C 1.705 176.262 174.600 -0.071 0.000 1.035 541 S CA 1.281 59.430 58.200 -0.085 0.000 1.018 541 S CB -0.191 62.957 63.200 -0.087 0.000 0.876 541 S HN 0.431 nan 8.310 nan 0.000 0.448 542 A N 1.090 123.860 122.820 -0.082 0.000 2.416 542 A HA 0.440 4.760 4.320 -0.000 0.000 0.252 542 A C 0.697 178.253 177.584 -0.047 0.000 1.353 542 A CA 0.512 52.514 52.037 -0.059 0.000 0.996 542 A CB -0.897 18.068 19.000 -0.058 0.000 0.961 542 A HN 0.724 nan 8.150 nan 0.000 0.523 543 T N 0.000 114.525 114.554 -0.048 0.000 3.816 543 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 543 T CA 0.000 62.079 62.100 -0.035 0.000 1.349 543 T CB 0.000 68.847 68.868 -0.035 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658