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 2xwj_1_I DATA FIRST_RESID 10 DATA SEQUENCE GScSLEGVEI KGGSFRLLQE GQALEYVcPS GFYPYPVQTR TcRSTGSWST DATA SEQUENCE LKTQDQKTVR KAEcRAIHcP RPHDFENGEY WPRSPYYNVS DEISFHcYDG DATA SEQUENCE YTLRGSANRT cQVNGRWSGQ TAIcDNGAGY cSNPGIPIGT RKVGSQYRLE DATA SEQUENCE DSVTYHcSRG LTLRGSQRRT cQEGGSWSGT EPScQDSFMY DTPQEVAEAF DATA SEQUENCE LSSLTETIEG VDAEXXXXXX XXXXXXXXXX PSGSMNIYLV LDGSGSIGAS DATA SEQUENCE DFTGAKKCLV NLIEKVASYG VKPRYGLVTY ATYPKIWVKV SEADSSNADW DATA SEQUENCE VTKQLNEINY EDHKLKSGTN TKKALQAVYS MMSWPDDVPP EGWNRTRHVI DATA SEQUENCE ILMTDGLHNM GGDPITVIDE IRDLLYIGKD RKNPREDYLD VYVFGVGPLV DATA SEQUENCE NQVNINALAS KKDNEQHVFK VKDMENLEDV FYQMIDESQS LSLcGMVWEH DATA SEQUENCE XXXXDYHKQP WQAKISVIRP SKGHEScMGA VVSEYFVLTA AHcFTVDDKE DATA SEQUENCE HSIKVSVGGE KRDLEIEVVL FHPNYNINGK KEAGIPEFYD YDVALIKLKN DATA SEQUENCE KLKYGQTIRP IcLPcTEGTT RALRLPPTTT cQQQKEELLP AQDIKALFVS DATA SEQUENCE EEEKKLTRKE VYIKNGDKKG ScERDAQYAP GYDKVKDISE VVTPRFLcTG DATA SEQUENCE GVSPYADPNT cRGDSGGPLI VHKRSRFIQV GVISWGVVDV cKNQKRQKQV DATA SEQUENCE PAHARDFHIN LFQVLPWLKE KLQDEDLGFL AA 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 10 G C 0.000 174.836 174.900 -0.107 0.000 0.946 10 G CA 0.000 45.058 45.100 -0.069 0.000 0.502 11 S N -0.502 115.144 115.700 -0.090 0.000 2.537 11 S HA 0.344 4.813 4.470 -0.001 0.000 0.286 11 S C 0.767 175.266 174.600 -0.168 0.000 1.299 11 S CA -0.414 57.715 58.200 -0.120 0.000 1.067 11 S CB 0.167 63.343 63.200 -0.040 0.000 0.864 11 S HN 0.878 nan 8.310 nan 0.000 0.494 12 c N 3.607 121.987 118.600 -0.366 0.000 2.657 12 c HA 0.375 4.945 4.570 -0.001 0.000 0.420 12 c C 1.453 175.489 174.090 -0.091 0.000 1.323 12 c CA -0.466 55.587 56.329 -0.460 0.000 1.894 12 c CB -0.067 41.651 42.510 -1.321 0.000 2.681 12 c HN 0.995 nan 8.230 nan 0.000 0.613 13 S N 1.505 117.216 115.700 0.019 0.000 2.549 13 S HA 0.228 4.697 4.470 -0.001 0.000 0.279 13 S C 0.399 175.211 174.600 0.354 0.000 1.321 13 S CA -0.516 57.777 58.200 0.155 0.000 1.054 13 S CB 0.071 63.328 63.200 0.095 0.000 0.899 13 S HN 0.590 nan 8.310 nan 0.000 0.497 14 L N 4.332 125.741 121.223 0.310 0.000 2.862 14 L HA 0.256 4.595 4.340 -0.001 0.000 0.240 14 L C 0.422 177.388 176.870 0.161 0.000 1.283 14 L CA 0.107 55.122 54.840 0.293 0.000 1.117 14 L CB -0.466 41.765 42.059 0.287 0.000 1.444 14 L HN 0.653 nan 8.230 nan 0.000 0.456 15 E N 0.914 121.201 120.200 0.145 0.000 2.152 15 E HA 0.290 4.639 4.350 -0.001 0.000 0.285 15 E C 0.797 177.428 176.600 0.052 0.000 1.043 15 E CA -0.172 56.280 56.400 0.086 0.000 0.839 15 E CB 1.117 30.863 29.700 0.078 0.000 1.069 15 E HN 0.360 nan 8.360 nan 0.000 0.399 16 G N 2.653 111.463 108.800 0.017 0.000 2.372 16 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.297 16 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.297 16 G C 0.520 175.383 174.900 -0.063 0.000 1.005 16 G CA 0.606 45.697 45.100 -0.015 0.000 1.173 16 G HN 0.586 nan 8.290 nan 0.000 0.511 17 V N -3.134 116.679 119.914 -0.168 0.000 3.398 17 V HA 0.396 4.515 4.120 -0.001 0.000 0.298 17 V C 1.111 176.871 176.094 -0.555 0.000 1.496 17 V CA 0.723 62.820 62.300 -0.339 0.000 1.044 17 V CB 0.264 31.777 31.823 -0.516 0.000 0.880 17 V HN 0.653 nan 8.190 nan 0.000 0.443 18 E N 1.640 121.561 120.200 -0.465 0.000 3.196 18 E HA 0.399 4.748 4.350 -0.001 0.000 0.268 18 E C -0.639 175.933 176.600 -0.048 0.000 1.430 18 E CA -0.577 55.559 56.400 -0.440 0.000 1.176 18 E CB 1.988 31.644 29.700 -0.074 0.000 1.228 18 E HN 0.430 nan 8.360 nan 0.000 0.730 19 I N -0.513 120.083 120.570 0.042 0.000 2.686 19 I HA 0.236 4.405 4.170 -0.001 0.000 0.295 19 I C -0.502 175.587 176.117 -0.047 0.000 1.114 19 I CA -1.033 60.235 61.300 -0.053 0.000 1.038 19 I CB 2.019 39.937 38.000 -0.137 0.000 1.238 19 I HN 0.475 nan 8.210 nan 0.000 0.420 20 K N 5.553 125.900 120.400 -0.089 0.000 2.412 20 K HA 0.294 4.613 4.320 -0.001 0.000 0.281 20 K C 0.676 177.200 176.600 -0.127 0.000 1.027 20 K CA 0.975 57.208 56.287 -0.089 0.000 0.989 20 K CB 0.510 32.954 32.500 -0.092 0.000 0.935 20 K HN 0.951 nan 8.250 nan 0.000 0.475 21 G N 2.437 111.163 108.800 -0.123 0.000 2.273 21 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.280 21 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.280 21 G C 0.196 174.984 174.900 -0.186 0.000 1.047 21 G CA 0.240 45.230 45.100 -0.185 0.000 0.869 21 G HN 1.087 nan 8.290 nan 0.000 0.502 22 G N -1.761 106.987 108.800 -0.086 0.000 2.588 22 G HA2 1.024 4.983 3.960 -0.001 0.000 0.281 22 G HA3 1.024 4.983 3.960 -0.001 0.000 0.281 22 G C -0.282 174.654 174.900 0.060 0.000 1.223 22 G CA 0.867 45.949 45.100 -0.030 0.000 0.871 22 G HN 1.941 nan 8.290 nan 0.000 0.492 23 S N -1.636 114.147 115.700 0.138 0.000 2.843 23 S HA 0.911 5.380 4.470 -0.001 0.000 0.301 23 S C -1.238 173.583 174.600 0.369 0.000 1.206 23 S CA -0.219 58.111 58.200 0.216 0.000 0.875 23 S CB 1.832 65.072 63.200 0.066 0.000 1.248 23 S HN 2.226 nan 8.310 nan 0.000 0.555 24 F N -1.477 118.447 119.950 -0.043 0.000 2.773 24 F HA 0.860 5.386 4.527 -0.001 0.000 0.314 24 F C -1.410 174.307 175.800 -0.139 0.000 1.160 24 F CA -1.107 56.808 58.000 -0.142 0.000 0.920 24 F CB 0.987 39.764 39.000 -0.372 0.000 1.323 24 F HN 1.014 nan 8.300 nan 0.000 0.457 25 R N 1.665 122.038 120.500 -0.211 0.000 2.651 25 R HA 0.759 5.098 4.340 -0.001 0.000 0.278 25 R C -2.110 174.109 176.300 -0.136 0.000 1.010 25 R CA -1.042 54.906 56.100 -0.253 0.000 0.896 25 R CB 2.165 32.383 30.300 -0.137 0.000 1.211 25 R HN 0.826 nan 8.270 nan 0.000 0.456 26 L N 3.708 124.858 121.223 -0.121 0.000 2.290 26 L HA 0.452 4.791 4.340 -0.001 0.000 0.284 26 L C -0.249 176.628 176.870 0.012 0.000 1.078 26 L CA -0.558 54.278 54.840 -0.006 0.000 0.815 26 L CB 0.776 42.852 42.059 0.028 0.000 1.162 26 L HN 0.439 nan 8.230 nan 0.000 0.435 27 L N 2.955 124.208 121.223 0.049 0.000 2.279 27 L HA 0.389 4.729 4.340 -0.001 0.000 0.262 27 L C 0.163 177.069 176.870 0.059 0.000 1.019 27 L CA -0.805 54.058 54.840 0.039 0.000 0.823 27 L CB 1.594 43.671 42.059 0.030 0.000 1.358 27 L HN 0.605 nan 8.230 nan 0.000 0.432 28 Q N 0.488 120.310 119.800 0.036 0.000 2.457 28 Q HA -0.229 4.110 4.340 -0.001 0.000 0.283 28 Q C -0.577 175.447 176.000 0.039 0.000 1.234 28 Q CA 0.987 56.810 55.803 0.035 0.000 0.877 28 Q CB -1.296 27.469 28.738 0.044 0.000 1.250 28 Q HN 0.694 nan 8.270 nan 0.000 0.481 29 E N -2.817 117.403 120.200 0.035 0.000 2.416 29 E HA -0.274 4.075 4.350 -0.001 0.000 0.249 29 E C 0.664 177.294 176.600 0.050 0.000 1.124 29 E CA 0.549 56.968 56.400 0.032 0.000 0.732 29 E CB -1.784 27.928 29.700 0.020 0.000 1.286 29 E HN 0.949 nan 8.360 nan 0.000 0.394 30 G N -0.035 108.819 108.800 0.089 0.000 2.136 30 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.242 30 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.242 30 G C 0.587 175.572 174.900 0.141 0.000 0.989 30 G CA 0.482 45.672 45.100 0.151 0.000 0.682 30 G HN 0.281 nan 8.290 nan 0.000 0.522 31 Q N -0.764 119.101 119.800 0.109 0.000 2.319 31 Q HA 0.580 4.919 4.340 -0.001 0.000 0.202 31 Q C 0.964 177.065 176.000 0.169 0.000 0.896 31 Q CA 1.175 57.008 55.803 0.050 0.000 0.942 31 Q CB 0.943 29.698 28.738 0.028 0.000 1.083 31 Q HN 1.532 nan 8.270 nan 0.000 0.510 32 A N 0.645 123.666 122.820 0.335 0.000 2.594 32 A HA 0.557 4.876 4.320 -0.001 0.000 0.296 32 A C -1.630 176.112 177.584 0.262 0.000 1.056 32 A CA -0.865 51.422 52.037 0.417 0.000 0.693 32 A CB 0.741 19.866 19.000 0.209 0.000 1.278 32 A HN 0.129 nan 8.150 nan 0.000 0.408 33 L N -1.107 120.144 121.223 0.047 0.000 2.341 33 L HA 0.965 5.304 4.340 -0.001 0.000 0.267 33 L C -0.254 176.514 176.870 -0.171 0.000 1.009 33 L CA -0.579 54.170 54.840 -0.151 0.000 0.819 33 L CB 1.822 43.611 42.059 -0.450 0.000 1.323 33 L HN 0.768 nan 8.230 nan 0.000 0.425 34 E N 1.103 121.227 120.200 -0.126 0.000 2.216 34 E HA 0.367 4.717 4.350 -0.001 0.000 0.260 34 E C -1.546 175.026 176.600 -0.047 0.000 0.880 34 E CA -0.736 55.623 56.400 -0.068 0.000 0.765 34 E CB 0.937 30.643 29.700 0.009 0.000 1.174 34 E HN 0.640 nan 8.360 nan 0.000 0.417 35 Y N 1.996 122.338 120.300 0.069 0.000 2.526 35 Y HA 0.130 4.679 4.550 -0.001 0.000 0.330 35 Y C 0.210 176.156 175.900 0.075 0.000 1.156 35 Y CA -0.084 58.066 58.100 0.083 0.000 1.419 35 Y CB 0.946 39.420 38.460 0.024 0.000 1.250 35 Y HN 0.239 nan 8.280 nan 0.000 0.540 36 V N 4.166 124.214 119.914 0.224 0.000 2.284 36 V HA 0.210 4.329 4.120 -0.001 0.000 0.274 36 V C -0.494 175.665 176.094 0.110 0.000 1.023 36 V CA -0.943 61.436 62.300 0.131 0.000 0.808 36 V CB 0.363 32.228 31.823 0.070 0.000 1.035 36 V HN 0.848 nan 8.190 nan 0.000 0.445 37 c N 6.417 125.080 118.600 0.105 0.000 2.350 37 c HA 0.531 5.100 4.570 -0.001 0.000 0.348 37 c C -1.688 172.452 174.090 0.083 0.000 1.260 37 c CA -1.134 55.236 56.329 0.068 0.000 1.966 37 c CB 0.935 43.486 42.510 0.068 0.000 2.380 37 c HN 0.625 nan 8.230 nan 0.000 0.535 38 P HA 0.048 nan 4.420 nan 0.000 0.268 38 P C -0.110 177.291 177.300 0.169 0.000 1.208 38 P CA 0.272 63.423 63.100 0.084 0.000 0.777 38 P CB 0.403 32.127 31.700 0.040 0.000 0.875 39 S N 1.356 117.129 115.700 0.122 0.000 2.593 39 S HA 0.251 4.720 4.470 -0.001 0.000 0.300 39 S C 1.444 176.119 174.600 0.125 0.000 1.267 39 S CA 1.178 59.440 58.200 0.104 0.000 1.065 39 S CB -1.112 62.126 63.200 0.063 0.000 0.807 39 S HN 0.897 nan 8.310 nan 0.000 0.499 40 G N 3.183 111.998 108.800 0.026 0.000 2.195 40 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.224 40 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.224 40 G C -0.106 174.498 174.900 -0.492 0.000 0.990 40 G CA 0.052 45.035 45.100 -0.194 0.000 0.639 40 G HN 0.649 nan 8.290 nan 0.000 0.514 41 F N -0.270 119.648 119.950 -0.054 0.000 2.620 41 F HA 0.768 5.294 4.527 -0.001 0.000 0.320 41 F C -0.050 175.728 175.800 -0.036 0.000 1.069 41 F CA -1.341 56.603 58.000 -0.093 0.000 0.953 41 F CB 1.646 40.568 39.000 -0.130 0.000 1.322 41 F HN 0.267 nan 8.300 nan 0.000 0.479 42 Y N -0.734 119.561 120.300 -0.010 0.000 2.512 42 Y HA 0.793 5.343 4.550 -0.001 0.000 0.348 42 Y C -3.310 172.601 175.900 0.018 0.000 0.990 42 Y CA -3.724 54.339 58.100 -0.060 0.000 1.033 42 Y CB 1.069 39.336 38.460 -0.322 0.000 1.259 42 Y HN 0.222 nan 8.280 nan 0.000 0.461 43 P HA 0.047 nan 4.420 nan 0.000 0.264 43 P C -1.580 175.738 177.300 0.031 0.000 1.193 43 P CA 0.701 63.799 63.100 -0.004 0.000 0.763 43 P CB 0.080 31.856 31.700 0.126 0.000 0.810 44 Y N 5.959 126.090 120.300 -0.281 0.000 2.442 44 Y HA 0.419 4.968 4.550 -0.001 0.000 0.344 44 Y C -2.156 173.620 175.900 -0.207 0.000 0.976 44 Y CA -2.567 55.433 58.100 -0.166 0.000 1.040 44 Y CB 2.003 40.314 38.460 -0.248 0.000 1.228 44 Y HN 0.291 nan 8.280 nan 0.000 0.451 45 P HA -0.033 nan 4.420 nan 0.000 0.215 45 P C -0.091 177.116 177.300 -0.155 0.000 1.160 45 P CA 1.072 63.708 63.100 -0.772 0.000 0.869 45 P CB 0.120 31.382 31.700 -0.731 0.000 0.782 46 V N -1.900 117.952 119.914 -0.105 0.000 3.083 46 V HA 0.261 4.381 4.120 -0.001 0.000 0.306 46 V C 1.609 177.781 176.094 0.131 0.000 1.077 46 V CA -0.382 61.945 62.300 0.045 0.000 1.073 46 V CB 0.592 32.450 31.823 0.058 0.000 1.081 46 V HN -0.116 nan 8.190 nan 0.000 0.474 47 Q N 1.975 121.884 119.800 0.182 0.000 2.033 47 Q HA 0.092 4.431 4.340 -0.001 0.000 0.196 47 Q C 1.027 177.188 176.000 0.269 0.000 0.970 47 Q CA 1.881 57.821 55.803 0.228 0.000 0.828 47 Q CB -0.200 28.653 28.738 0.192 0.000 0.895 47 Q HN 1.152 nan 8.270 nan 0.000 0.440 48 T N -2.059 112.607 114.554 0.188 0.000 2.907 48 T HA 0.791 5.141 4.350 -0.001 0.000 0.290 48 T C -0.730 174.037 174.700 0.111 0.000 1.066 48 T CA -1.093 61.078 62.100 0.119 0.000 1.012 48 T CB 1.981 70.898 68.868 0.082 0.000 1.184 48 T HN 0.175 nan 8.240 nan 0.000 0.522 49 R N 0.276 120.807 120.500 0.052 0.000 2.725 49 R HA 0.670 5.009 4.340 -0.001 0.000 0.277 49 R C -0.525 175.932 176.300 0.262 0.000 0.987 49 R CA -0.910 55.266 56.100 0.125 0.000 0.901 49 R CB 2.231 32.560 30.300 0.049 0.000 1.207 49 R HN 0.965 nan 8.270 nan 0.000 0.463 50 T N -2.195 112.534 114.554 0.291 0.000 2.928 50 T HA 0.241 4.590 4.350 -0.001 0.000 0.284 50 T C 0.111 174.984 174.700 0.289 0.000 1.008 50 T CA -0.709 61.554 62.100 0.271 0.000 1.057 50 T CB 1.477 70.427 68.868 0.137 0.000 1.018 50 T HN 0.639 nan 8.240 nan 0.000 0.493 51 c N 5.009 123.628 118.600 0.032 0.000 2.135 51 c HA 0.421 4.990 4.570 -0.001 0.000 0.345 51 c C 0.791 174.735 174.090 -0.245 0.000 1.067 51 c CA -0.910 55.168 56.329 -0.419 0.000 1.517 51 c CB -1.758 40.324 42.510 -0.714 0.000 1.923 51 c HN 0.777 nan 8.230 nan 0.000 0.466 52 R N 3.079 123.476 120.500 -0.172 0.000 2.811 52 R HA 0.048 4.387 4.340 -0.001 0.000 0.265 52 R C 1.422 177.638 176.300 -0.139 0.000 1.026 52 R CA 0.377 56.413 56.100 -0.106 0.000 1.142 52 R CB 0.280 30.545 30.300 -0.059 0.000 1.027 52 R HN 0.890 nan 8.270 nan 0.000 0.465 53 S N -1.418 114.228 115.700 -0.090 0.000 2.754 53 S HA -0.060 4.409 4.470 -0.001 0.000 0.223 53 S C 1.226 175.782 174.600 -0.073 0.000 0.951 53 S CA 0.443 58.593 58.200 -0.084 0.000 0.954 53 S CB -0.322 62.845 63.200 -0.055 0.000 0.780 53 S HN 0.718 nan 8.310 nan 0.000 0.509 54 T N -3.593 110.915 114.554 -0.077 0.000 3.060 54 T HA 0.526 4.875 4.350 -0.001 0.000 0.249 54 T C 1.596 176.255 174.700 -0.069 0.000 1.079 54 T CA 0.581 62.646 62.100 -0.057 0.000 1.013 54 T CB -0.020 68.825 68.868 -0.038 0.000 0.975 54 T HN 1.001 nan 8.240 nan 0.000 0.518 55 G N 0.544 109.277 108.800 -0.112 0.000 2.232 55 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.226 55 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.226 55 G C 0.158 174.967 174.900 -0.152 0.000 0.996 55 G CA -0.008 45.018 45.100 -0.123 0.000 0.626 55 G HN 0.740 nan 8.290 nan 0.000 0.509 56 S N -0.271 115.351 115.700 -0.131 0.000 2.568 56 S HA 0.689 5.158 4.470 -0.001 0.000 0.302 56 S C -0.270 174.263 174.600 -0.111 0.000 1.082 56 S CA -0.708 57.444 58.200 -0.080 0.000 1.009 56 S CB 1.232 64.441 63.200 0.016 0.000 1.069 56 S HN 0.366 nan 8.310 nan 0.000 0.500 57 W N 2.112 123.412 121.300 -0.001 0.000 2.049 57 W HA 0.293 4.952 4.660 -0.001 0.000 0.356 57 W C 1.003 177.524 176.519 0.003 0.000 1.323 57 W CA -0.356 56.988 57.345 -0.001 0.000 1.336 57 W CB 0.184 29.637 29.460 -0.012 0.000 1.176 57 W HN 0.667 nan 8.180 nan 0.000 0.623 58 S N 0.208 116.079 115.700 0.285 0.000 2.549 58 S HA 0.068 4.538 4.470 -0.001 0.000 0.286 58 S C 0.207 174.889 174.600 0.137 0.000 1.314 58 S CA -0.712 57.584 58.200 0.161 0.000 1.062 58 S CB 0.872 64.157 63.200 0.142 0.000 0.865 58 S HN 0.508 nan 8.310 nan 0.000 0.498 59 T N 2.974 117.580 114.554 0.087 0.000 2.906 59 T HA 0.111 4.460 4.350 -0.001 0.000 0.320 59 T C 0.201 174.925 174.700 0.041 0.000 1.088 59 T CA -0.418 61.717 62.100 0.059 0.000 1.120 59 T CB -0.392 68.499 68.868 0.038 0.000 1.000 59 T HN 0.583 nan 8.240 nan 0.000 0.550 60 L N 5.578 126.809 121.223 0.015 0.000 2.462 60 L HA 0.279 4.618 4.340 -0.001 0.000 0.283 60 L C 0.635 177.477 176.870 -0.046 0.000 1.166 60 L CA -0.289 54.535 54.840 -0.027 0.000 0.964 60 L CB -0.035 41.984 42.059 -0.066 0.000 1.294 60 L HN 0.398 nan 8.230 nan 0.000 0.449 61 K N 2.403 122.783 120.400 -0.033 0.000 2.213 61 K HA 0.351 4.671 4.320 -0.001 0.000 0.270 61 K C 0.578 177.145 176.600 -0.055 0.000 1.002 61 K CA -0.293 55.976 56.287 -0.031 0.000 0.868 61 K CB 1.910 34.408 32.500 -0.004 0.000 1.093 61 K HN 0.537 nan 8.250 nan 0.000 0.454 62 T N -0.452 114.065 114.554 -0.062 0.000 3.332 62 T HA 0.060 4.409 4.350 -0.001 0.000 0.367 62 T C 1.221 175.920 174.700 -0.003 0.000 1.244 62 T CA -0.011 62.053 62.100 -0.060 0.000 0.977 62 T CB 0.323 69.170 68.868 -0.034 0.000 1.784 62 T HN 0.336 nan 8.240 nan 0.000 0.553 63 Q N 0.281 120.098 119.800 0.028 0.000 2.250 63 Q HA 0.060 4.399 4.340 -0.001 0.000 0.200 63 Q C 1.071 177.090 176.000 0.033 0.000 0.941 63 Q CA 0.862 56.686 55.803 0.036 0.000 0.872 63 Q CB -0.211 28.557 28.738 0.049 0.000 0.965 63 Q HN 0.642 nan 8.270 nan 0.000 0.480 64 D N 1.019 121.442 120.400 0.038 0.000 2.352 64 D HA 0.008 4.648 4.640 -0.001 0.000 0.236 64 D C 0.020 176.335 176.300 0.026 0.000 1.148 64 D CA 0.074 54.095 54.000 0.035 0.000 0.844 64 D CB -0.029 40.796 40.800 0.042 0.000 0.933 64 D HN 0.004 nan 8.370 nan 0.000 0.507 65 Q N 0.160 119.971 119.800 0.019 0.000 2.453 65 Q HA -0.233 4.106 4.340 -0.001 0.000 0.294 65 Q C -1.013 174.994 176.000 0.012 0.000 1.295 65 Q CA 0.731 56.541 55.803 0.013 0.000 0.853 65 Q CB -1.472 27.275 28.738 0.014 0.000 1.193 65 Q HN 0.296 nan 8.270 nan 0.000 0.461 66 K N -0.025 120.381 120.400 0.010 0.000 2.138 66 K HA 0.534 4.853 4.320 -0.001 0.000 0.263 66 K C -0.295 176.304 176.600 -0.001 0.000 0.965 66 K CA -0.566 55.728 56.287 0.012 0.000 0.868 66 K CB 1.412 33.928 32.500 0.026 0.000 1.083 66 K HN 0.034 nan 8.250 nan 0.000 0.443 67 T N 1.909 116.466 114.554 0.004 0.000 2.780 67 T HA 0.229 4.578 4.350 -0.001 0.000 0.294 67 T C -0.246 174.453 174.700 -0.001 0.000 0.949 67 T CA -0.527 61.572 62.100 -0.001 0.000 1.074 67 T CB 0.650 69.523 68.868 0.007 0.000 0.910 67 T HN 0.150 nan 8.240 nan 0.000 0.501 68 V N 5.136 125.038 119.914 -0.020 0.000 2.555 68 V HA 0.365 4.485 4.120 -0.001 0.000 0.302 68 V C 1.066 177.153 176.094 -0.011 0.000 1.038 68 V CA -0.824 61.468 62.300 -0.013 0.000 0.887 68 V CB 1.862 33.650 31.823 -0.058 0.000 0.991 68 V HN 0.809 nan 8.190 nan 0.000 0.434 69 R N 1.869 122.372 120.500 0.004 0.000 2.051 69 R HA 0.098 4.437 4.340 -0.001 0.000 0.225 69 R C 0.436 176.728 176.300 -0.013 0.000 1.155 69 R CA 0.539 56.639 56.100 -0.000 0.000 0.945 69 R CB 0.043 30.346 30.300 0.005 0.000 0.840 69 R HN 0.400 nan 8.270 nan 0.000 0.432 70 K N 1.099 121.493 120.400 -0.010 0.000 2.206 70 K HA 0.378 4.697 4.320 -0.001 0.000 0.264 70 K C -1.291 175.287 176.600 -0.038 0.000 0.967 70 K CA -0.369 55.901 56.287 -0.029 0.000 0.844 70 K CB 1.832 34.317 32.500 -0.024 0.000 1.099 70 K HN 0.199 nan 8.250 nan 0.000 0.441 71 A N 3.959 126.718 122.820 -0.102 0.000 2.363 71 A HA 0.428 4.748 4.320 -0.001 0.000 0.270 71 A C -0.755 176.747 177.584 -0.136 0.000 1.121 71 A CA -0.210 51.722 52.037 -0.175 0.000 0.800 71 A CB 0.194 18.929 19.000 -0.443 0.000 1.052 71 A HN 0.829 nan 8.150 nan 0.000 0.493 72 E N 0.436 120.593 120.200 -0.072 0.000 2.369 72 E HA 0.397 4.747 4.350 -0.001 0.000 0.270 72 E C -1.566 174.925 176.600 -0.182 0.000 0.909 72 E CA -0.740 55.587 56.400 -0.121 0.000 0.775 72 E CB 2.025 31.654 29.700 -0.118 0.000 1.270 72 E HN 0.575 nan 8.360 nan 0.000 0.445 73 c N 2.334 120.804 118.600 -0.217 0.000 2.176 73 c HA 0.349 4.918 4.570 -0.001 0.000 0.329 73 c C 0.302 174.307 174.090 -0.142 0.000 1.113 73 c CA -0.560 55.627 56.329 -0.236 0.000 1.562 73 c CB -1.236 41.114 42.510 -0.267 0.000 2.040 73 c HN 0.444 nan 8.230 nan 0.000 0.460 74 R N 1.761 122.073 120.500 -0.314 0.000 2.500 74 R HA 0.653 4.992 4.340 -0.001 0.000 0.277 74 R C 0.398 176.664 176.300 -0.057 0.000 1.026 74 R CA -0.290 55.707 56.100 -0.172 0.000 1.058 74 R CB 0.876 30.959 30.300 -0.362 0.000 1.078 74 R HN 0.748 nan 8.270 nan 0.000 0.509 75 A N 2.322 125.072 122.820 -0.117 0.000 2.366 75 A HA 0.233 4.552 4.320 -0.001 0.000 0.249 75 A C 0.333 177.611 177.584 -0.510 0.000 1.084 75 A CA -0.425 51.202 52.037 -0.683 0.000 0.794 75 A CB 0.121 18.634 19.000 -0.812 0.000 1.034 75 A HN 0.677 nan 8.150 nan 0.000 0.491 76 I N 2.240 122.491 120.570 -0.532 0.000 2.406 76 I HA 0.119 4.289 4.170 -0.001 0.000 0.293 76 I C -0.222 175.684 176.117 -0.352 0.000 1.101 76 I CA 0.236 61.312 61.300 -0.374 0.000 1.334 76 I CB -0.514 37.333 38.000 -0.255 0.000 1.421 76 I HN 0.592 nan 8.210 nan 0.000 0.513 77 H N 3.927 123.045 119.070 0.080 0.000 2.533 77 H HA 0.455 5.011 4.556 -0.001 0.000 0.343 77 H C -0.462 174.948 175.328 0.138 0.000 1.160 77 H CA -0.489 55.639 56.048 0.134 0.000 1.218 77 H CB 1.367 31.241 29.762 0.187 0.000 1.566 77 H HN 0.520 nan 8.280 nan 0.000 0.522 78 c N 2.903 121.615 118.600 0.186 0.000 2.365 78 c HA 0.350 4.919 4.570 -0.001 0.000 0.349 78 c C -2.027 172.276 174.090 0.356 0.000 1.191 78 c CA -1.554 54.780 56.329 0.008 0.000 2.114 78 c CB 0.848 42.899 42.510 -0.764 0.000 2.367 78 c HN 0.662 nan 8.230 nan 0.000 0.530 79 P HA 0.095 nan 4.420 nan 0.000 0.264 79 P C -0.624 176.993 177.300 0.528 0.000 1.183 79 P CA 0.461 63.803 63.100 0.402 0.000 0.763 79 P CB 0.288 32.173 31.700 0.310 0.000 0.807 80 R N 4.759 125.518 120.500 0.432 0.000 2.254 80 R HA 0.285 4.624 4.340 -0.001 0.000 0.318 80 R C -2.160 174.284 176.300 0.240 0.000 1.031 80 R CA -1.838 54.524 56.100 0.435 0.000 0.905 80 R CB 0.156 30.716 30.300 0.433 0.000 1.050 80 R HN 0.310 nan 8.270 nan 0.000 0.456 81 P HA 0.001 nan 4.420 nan 0.000 0.252 81 P C -0.420 176.818 177.300 -0.102 0.000 1.694 81 P CA 0.174 63.116 63.100 -0.262 0.000 1.163 81 P CB -0.388 30.836 31.700 -0.793 0.000 1.934 82 H N -0.727 118.379 119.070 0.059 0.000 2.566 82 H HA 0.342 4.897 4.556 -0.001 0.000 0.280 82 H C -0.252 175.151 175.328 0.124 0.000 1.042 82 H CA -0.371 55.752 56.048 0.124 0.000 1.168 82 H CB -0.130 29.702 29.762 0.117 0.000 1.340 82 H HN 0.044 nan 8.280 nan 0.000 0.597 83 D N 0.207 120.533 120.400 -0.123 0.000 2.614 83 D HA 0.212 4.851 4.640 -0.001 0.000 0.203 83 D C -1.958 174.384 176.300 0.071 0.000 1.312 83 D CA -0.622 53.360 54.000 -0.031 0.000 0.889 83 D CB 0.454 41.163 40.800 -0.153 0.000 1.615 83 D HN 0.194 nan 8.370 nan 0.000 0.567 84 F N 3.056 123.004 119.950 -0.003 0.000 2.605 84 F HA 0.379 4.906 4.527 -0.001 0.000 0.320 84 F C -1.154 174.678 175.800 0.054 0.000 1.159 84 F CA -0.545 57.460 58.000 0.008 0.000 0.999 84 F CB 1.460 40.502 39.000 0.070 0.000 1.258 84 F HN 0.275 nan 8.300 nan 0.000 0.464 85 E N 3.502 123.370 120.200 -0.553 0.000 2.281 85 E HA 0.451 4.800 4.350 -0.001 0.000 0.262 85 E C -0.588 175.713 176.600 -0.499 0.000 0.933 85 E CA -0.987 55.217 56.400 -0.326 0.000 0.809 85 E CB 1.248 30.829 29.700 -0.197 0.000 1.242 85 E HN 0.571 nan 8.360 nan 0.000 0.418 86 N N -0.610 117.955 118.700 -0.226 0.000 2.714 86 N HA -0.169 4.570 4.740 -0.001 0.000 0.250 86 N C -0.345 174.920 175.510 -0.408 0.000 1.117 86 N CA 1.569 54.382 53.050 -0.395 0.000 0.719 86 N CB -1.348 36.664 38.487 -0.791 0.000 1.081 86 N HN 0.881 nan 8.380 nan 0.000 0.557 87 G N -1.365 107.217 108.800 -0.362 0.000 2.428 87 G HA2 0.538 4.497 3.960 -0.001 0.000 0.305 87 G HA3 0.538 4.497 3.960 -0.001 0.000 0.305 87 G C -2.048 172.839 174.900 -0.021 0.000 1.260 87 G CA -0.218 44.669 45.100 -0.354 0.000 0.853 87 G HN 0.218 nan 8.290 nan 0.000 0.480 88 E N -1.214 119.089 120.200 0.172 0.000 2.335 88 E HA 0.597 4.946 4.350 -0.001 0.000 0.280 88 E C -1.697 174.934 176.600 0.052 0.000 0.918 88 E CA -0.845 55.631 56.400 0.127 0.000 0.765 88 E CB 1.485 31.204 29.700 0.033 0.000 1.218 88 E HN 0.833 nan 8.360 nan 0.000 0.425 89 Y N 2.690 122.858 120.300 -0.221 0.000 2.468 89 Y HA 0.933 5.482 4.550 -0.001 0.000 0.342 89 Y C -0.967 174.841 175.900 -0.154 0.000 1.021 89 Y CA -1.079 56.720 58.100 -0.501 0.000 1.079 89 Y CB 1.210 39.091 38.460 -0.966 0.000 1.226 89 Y HN 0.501 nan 8.280 nan 0.000 0.460 90 W N 1.439 122.487 121.300 -0.420 0.000 3.248 90 W HA 0.645 5.304 4.660 -0.001 0.000 0.311 90 W C -3.580 172.825 176.519 -0.191 0.000 1.258 90 W CA -2.256 54.907 57.345 -0.304 0.000 1.191 90 W CB 1.095 30.406 29.460 -0.247 0.000 1.389 90 W HN 0.443 nan 8.180 nan 0.000 0.561 91 P HA 0.395 nan 4.420 nan 0.000 0.277 91 P C -0.632 176.764 177.300 0.160 0.000 1.271 91 P CA -0.339 62.880 63.100 0.198 0.000 0.795 91 P CB 0.897 32.709 31.700 0.186 0.000 1.101 92 R N 0.412 120.955 120.500 0.071 0.000 2.387 92 R HA 0.665 5.004 4.340 -0.001 0.000 0.314 92 R C -0.661 175.623 176.300 -0.027 0.000 0.958 92 R CA -0.355 55.800 56.100 0.092 0.000 0.846 92 R CB 1.327 31.599 30.300 -0.048 0.000 1.147 92 R HN 0.454 nan 8.270 nan 0.000 0.447 93 S N 2.494 118.075 115.700 -0.199 0.000 2.569 93 S HA 0.297 4.767 4.470 -0.001 0.000 0.280 93 S C -2.108 172.240 174.600 -0.421 0.000 1.111 93 S CA -1.141 56.806 58.200 -0.421 0.000 0.887 93 S CB 2.244 65.056 63.200 -0.645 0.000 1.095 93 S HN 0.407 nan 8.310 nan 0.000 0.476 94 P HA 0.023 nan 4.420 nan 0.000 0.226 94 P C -0.669 176.622 177.300 -0.016 0.000 1.146 94 P CA 1.205 64.235 63.100 -0.117 0.000 0.773 94 P CB -0.211 31.474 31.700 -0.025 0.000 0.772 95 Y N -5.612 114.538 120.300 -0.250 0.000 2.583 95 Y HA 0.497 5.046 4.550 -0.001 0.000 0.330 95 Y C -1.731 174.053 175.900 -0.194 0.000 1.185 95 Y CA -1.956 56.045 58.100 -0.164 0.000 1.107 95 Y CB -0.055 38.286 38.460 -0.197 0.000 1.344 95 Y HN -0.291 nan 8.280 nan 0.000 0.463 96 Y N 2.746 123.281 120.300 0.392 0.000 2.356 96 Y HA 0.444 4.993 4.550 -0.001 0.000 0.334 96 Y C 0.187 176.224 175.900 0.229 0.000 0.958 96 Y CA -0.790 57.477 58.100 0.278 0.000 1.196 96 Y CB 0.953 39.616 38.460 0.337 0.000 1.137 96 Y HN 0.657 nan 8.280 nan 0.000 0.485 97 N N 0.758 119.629 118.700 0.285 0.000 2.294 97 N HA 0.164 4.904 4.740 -0.001 0.000 0.275 97 N C -0.351 175.142 175.510 -0.028 0.000 1.291 97 N CA -0.415 52.681 53.050 0.077 0.000 0.933 97 N CB 0.356 38.878 38.487 0.058 0.000 1.096 97 N HN 0.243 nan 8.380 nan 0.000 0.525 98 V N 0.537 120.393 119.914 -0.096 0.000 2.924 98 V HA 0.070 4.189 4.120 -0.001 0.000 0.305 98 V C 0.894 176.949 176.094 -0.065 0.000 1.073 98 V CA 0.217 62.450 62.300 -0.111 0.000 1.098 98 V CB 0.776 32.530 31.823 -0.115 0.000 1.000 98 V HN 0.957 nan 8.190 nan 0.000 0.484 99 S N 0.689 116.345 115.700 -0.074 0.000 3.521 99 S HA -0.194 4.275 4.470 -0.001 0.000 0.328 99 S C -0.174 174.428 174.600 0.004 0.000 1.165 99 S CA 1.052 59.232 58.200 -0.033 0.000 0.941 99 S CB -2.059 61.130 63.200 -0.018 0.000 0.951 99 S HN 0.865 nan 8.310 nan 0.000 0.539 100 D N 2.145 122.554 120.400 0.016 0.000 2.225 100 D HA 0.528 5.168 4.640 -0.001 0.000 0.248 100 D C 0.366 176.761 176.300 0.159 0.000 1.096 100 D CA -0.101 53.965 54.000 0.109 0.000 0.863 100 D CB 0.931 41.863 40.800 0.220 0.000 1.156 100 D HN 0.619 nan 8.370 nan 0.000 0.450 101 E N 1.352 121.621 120.200 0.115 0.000 2.191 101 E HA 0.613 4.962 4.350 -0.001 0.000 0.274 101 E C -0.143 176.422 176.600 -0.058 0.000 0.948 101 E CA -0.799 55.636 56.400 0.058 0.000 0.802 101 E CB 2.048 31.737 29.700 -0.018 0.000 1.137 101 E HN 0.435 nan 8.360 nan 0.000 0.397 102 I N -1.355 119.093 120.570 -0.205 0.000 2.686 102 I HA 0.571 4.740 4.170 -0.001 0.000 0.295 102 I C -0.544 175.153 176.117 -0.699 0.000 1.114 102 I CA -0.852 60.136 61.300 -0.520 0.000 1.038 102 I CB 2.226 39.800 38.000 -0.709 0.000 1.238 102 I HN 0.428 nan 8.210 nan 0.000 0.420 103 S N 3.760 118.864 115.700 -0.992 0.000 2.568 103 S HA 0.793 5.262 4.470 -0.001 0.000 0.302 103 S C -1.034 172.998 174.600 -0.948 0.000 1.082 103 S CA -0.579 57.109 58.200 -0.853 0.000 1.009 103 S CB 1.548 64.223 63.200 -0.875 0.000 1.069 103 S HN 0.519 nan 8.310 nan 0.000 0.500 104 F N 1.011 120.792 119.950 -0.281 0.000 2.522 104 F HA 0.566 5.093 4.527 -0.001 0.000 0.324 104 F C 0.465 176.290 175.800 0.041 0.000 1.077 104 F CA -0.536 57.348 58.000 -0.193 0.000 0.944 104 F CB 1.877 40.718 39.000 -0.266 0.000 1.175 104 F HN 0.739 nan 8.300 nan 0.000 0.468 105 H N 2.000 121.170 119.070 0.167 0.000 3.083 105 H HA 0.352 4.907 4.556 -0.001 0.000 0.339 105 H C -1.305 174.071 175.328 0.080 0.000 1.020 105 H CA -0.667 55.465 56.048 0.140 0.000 1.360 105 H CB 1.512 31.367 29.762 0.154 0.000 1.811 105 H HN 0.757 nan 8.280 nan 0.000 0.493 106 c N 4.037 122.483 118.600 -0.256 0.000 2.580 106 c HA 0.242 4.811 4.570 -0.001 0.000 0.371 106 c C 0.645 174.624 174.090 -0.185 0.000 1.308 106 c CA -0.427 55.787 56.329 -0.192 0.000 2.428 106 c CB -0.429 42.045 42.510 -0.060 0.000 2.529 106 c HN 0.623 nan 8.230 nan 0.000 0.657 107 Y N 0.097 120.436 120.300 0.064 0.000 2.230 107 Y HA 0.169 4.718 4.550 -0.001 0.000 0.354 107 Y C 0.932 176.975 175.900 0.239 0.000 1.343 107 Y CA 0.206 58.404 58.100 0.163 0.000 1.693 107 Y CB 0.098 38.636 38.460 0.129 0.000 1.553 107 Y HN 0.535 nan 8.280 nan 0.000 0.599 108 D N 0.052 120.707 120.400 0.425 0.000 2.383 108 D HA 0.326 4.965 4.640 -0.001 0.000 0.252 108 D C 0.931 177.369 176.300 0.229 0.000 1.166 108 D CA 1.280 55.438 54.000 0.263 0.000 0.879 108 D CB 0.654 41.566 40.800 0.187 0.000 1.164 108 D HN 0.775 nan 8.370 nan 0.000 0.462 109 G N 1.626 110.493 108.800 0.112 0.000 2.159 109 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.227 109 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.227 109 G C -0.364 174.397 174.900 -0.232 0.000 0.986 109 G CA -0.331 44.730 45.100 -0.064 0.000 0.651 109 G HN 0.442 nan 8.290 nan 0.000 0.523 110 Y N 0.549 120.877 120.300 0.046 0.000 2.446 110 Y HA 0.635 5.184 4.550 -0.001 0.000 0.345 110 Y C 0.657 176.550 175.900 -0.011 0.000 0.984 110 Y CA -0.508 57.606 58.100 0.025 0.000 1.058 110 Y CB 2.187 40.674 38.460 0.045 0.000 1.220 110 Y HN 0.058 nan 8.280 nan 0.000 0.455 111 T N 4.353 118.981 114.554 0.123 0.000 2.837 111 T HA 0.359 4.708 4.350 -0.001 0.000 0.285 111 T C -1.078 173.645 174.700 0.038 0.000 0.984 111 T CA -0.514 61.616 62.100 0.049 0.000 1.049 111 T CB 0.795 69.671 68.868 0.015 0.000 0.947 111 T HN 0.337 nan 8.240 nan 0.000 0.472 112 L N 5.320 126.547 121.223 0.007 0.000 2.262 112 L HA 0.498 4.837 4.340 -0.001 0.000 0.288 112 L C 0.224 177.084 176.870 -0.017 0.000 1.035 112 L CA -0.468 54.370 54.840 -0.004 0.000 0.820 112 L CB 0.209 42.264 42.059 -0.007 0.000 1.204 112 L HN 0.647 nan 8.230 nan 0.000 0.424 113 R N 3.918 124.397 120.500 -0.035 0.000 2.604 113 R HA 0.969 5.308 4.340 -0.001 0.000 0.287 113 R C 0.109 176.369 176.300 -0.066 0.000 0.970 113 R CA -0.150 55.922 56.100 -0.047 0.000 0.946 113 R CB 1.365 31.632 30.300 -0.054 0.000 1.127 113 R HN 0.864 nan 8.270 nan 0.000 0.473 114 G N 1.035 109.799 108.800 -0.060 0.000 2.472 114 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.205 114 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.205 114 G C -1.109 173.758 174.900 -0.055 0.000 1.270 114 G CA -0.431 44.625 45.100 -0.073 0.000 0.974 114 G HN 0.632 nan 8.290 nan 0.000 0.542 115 S N 0.794 116.453 115.700 -0.067 0.000 2.452 115 S HA 0.573 5.042 4.470 -0.001 0.000 0.284 115 S C 1.340 175.937 174.600 -0.006 0.000 1.171 115 S CA 0.652 58.834 58.200 -0.030 0.000 1.064 115 S CB 1.340 64.529 63.200 -0.019 0.000 0.967 115 S HN 1.700 nan 8.310 nan 0.000 0.484 116 A N 3.965 126.806 122.820 0.035 0.000 1.897 116 A HA 0.044 4.363 4.320 -0.001 0.000 0.215 116 A C 0.647 178.294 177.584 0.105 0.000 1.181 116 A CA 0.859 52.953 52.037 0.095 0.000 0.620 116 A CB -0.156 18.887 19.000 0.072 0.000 0.821 116 A HN 0.656 nan 8.150 nan 0.000 0.443 117 N N 0.663 119.382 118.700 0.033 0.000 2.424 117 N HA 0.497 5.236 4.740 -0.001 0.000 0.271 117 N C -0.894 174.630 175.510 0.024 0.000 0.985 117 N CA -0.117 52.920 53.050 -0.021 0.000 0.921 117 N CB 1.236 39.695 38.487 -0.047 0.000 1.149 117 N HN 0.308 nan 8.380 nan 0.000 0.492 118 R N 0.722 121.241 120.500 0.031 0.000 2.621 118 R HA 0.587 4.926 4.340 -0.001 0.000 0.292 118 R C -0.738 175.700 176.300 0.231 0.000 0.969 118 R CA -0.702 55.474 56.100 0.126 0.000 0.887 118 R CB 1.883 32.270 30.300 0.144 0.000 1.180 118 R HN 0.336 nan 8.270 nan 0.000 0.450 119 T N 1.069 115.772 114.554 0.248 0.000 2.829 119 T HA 0.140 4.489 4.350 -0.001 0.000 0.280 119 T C -0.381 174.370 174.700 0.084 0.000 0.999 119 T CA -0.478 61.739 62.100 0.194 0.000 0.983 119 T CB 1.519 70.428 68.868 0.068 0.000 0.968 119 T HN 0.631 nan 8.240 nan 0.000 0.446 120 c N 4.892 123.374 118.600 -0.198 0.000 2.651 120 c HA 0.234 4.803 4.570 -0.001 0.000 0.410 120 c C 0.717 174.631 174.090 -0.294 0.000 1.372 120 c CA -0.053 55.905 56.329 -0.618 0.000 1.707 120 c CB -1.461 40.564 42.510 -0.809 0.000 2.501 120 c HN 0.825 nan 8.230 nan 0.000 0.598 121 Q N 3.058 122.702 119.800 -0.260 0.000 2.162 121 Q HA 0.217 4.556 4.340 -0.001 0.000 0.197 121 Q C 1.086 177.008 176.000 -0.130 0.000 1.013 121 Q CA -0.567 55.151 55.803 -0.142 0.000 1.040 121 Q CB 0.992 29.670 28.738 -0.098 0.000 1.114 121 Q HN 0.674 nan 8.270 nan 0.000 0.547 122 V N 1.323 121.200 119.914 -0.060 0.000 2.667 122 V HA -0.158 3.962 4.120 -0.001 0.000 0.252 122 V C 1.082 177.181 176.094 0.008 0.000 1.065 122 V CA 1.875 64.166 62.300 -0.015 0.000 1.083 122 V CB -0.524 31.323 31.823 0.040 0.000 0.692 122 V HN 0.797 nan 8.190 nan 0.000 0.468 123 N N 0.903 119.557 118.700 -0.077 0.000 2.413 123 N HA 0.150 4.889 4.740 -0.001 0.000 0.207 123 N C 1.229 176.559 175.510 -0.300 0.000 1.206 123 N CA 0.714 53.570 53.050 -0.322 0.000 0.832 123 N CB -0.475 37.702 38.487 -0.517 0.000 1.037 123 N HN 0.592 nan 8.380 nan 0.000 0.467 124 G N -0.153 108.570 108.800 -0.129 0.000 2.203 124 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.263 124 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.263 124 G C -0.120 174.622 174.900 -0.262 0.000 1.012 124 G CA 0.411 45.453 45.100 -0.097 0.000 0.749 124 G HN 0.570 nan 8.290 nan 0.000 0.512 125 R N -2.054 118.267 120.500 -0.298 0.000 2.888 125 R HA 0.603 4.942 4.340 -0.001 0.000 0.266 125 R C -0.790 175.319 176.300 -0.318 0.000 1.020 125 R CA -1.011 54.931 56.100 -0.264 0.000 0.963 125 R CB 1.090 31.292 30.300 -0.163 0.000 1.197 125 R HN 0.159 nan 8.270 nan 0.000 0.481 126 W N 1.066 122.324 121.300 -0.070 0.000 2.365 126 W HA 0.266 4.925 4.660 -0.001 0.000 0.316 126 W C 0.729 177.213 176.519 -0.058 0.000 1.164 126 W CA -0.285 57.022 57.345 -0.064 0.000 1.204 126 W CB 1.253 30.670 29.460 -0.071 0.000 1.213 126 W HN 0.536 nan 8.180 nan 0.000 0.539 127 S N 2.460 118.271 115.700 0.186 0.000 2.608 127 S HA 0.748 5.217 4.470 -0.001 0.000 0.261 127 S C 0.705 175.359 174.600 0.089 0.000 1.314 127 S CA 0.077 58.334 58.200 0.097 0.000 0.992 127 S CB 0.744 63.985 63.200 0.068 0.000 0.935 127 S HN 1.424 nan 8.310 nan 0.000 0.564 128 G N 0.694 109.520 108.800 0.043 0.000 2.752 128 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.234 128 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.234 128 G C -0.706 174.191 174.900 -0.006 0.000 1.367 128 G CA -0.182 44.929 45.100 0.017 0.000 0.879 128 G HN 0.876 nan 8.290 nan 0.000 0.563 129 Q N -0.754 119.024 119.800 -0.037 0.000 2.166 129 Q HA 0.584 4.923 4.340 -0.001 0.000 0.226 129 Q C 0.565 176.490 176.000 -0.125 0.000 0.989 129 Q CA -0.271 55.491 55.803 -0.069 0.000 0.966 129 Q CB 0.301 28.997 28.738 -0.069 0.000 1.173 129 Q HN 0.690 nan 8.270 nan 0.000 0.509 130 T N 1.214 115.675 114.554 -0.154 0.000 2.851 130 T HA 0.374 4.723 4.350 -0.001 0.000 0.298 130 T C -0.204 174.324 174.700 -0.286 0.000 0.977 130 T CA -0.326 61.634 62.100 -0.233 0.000 1.126 130 T CB 0.472 69.221 68.868 -0.198 0.000 0.916 130 T HN 0.542 nan 8.240 nan 0.000 0.529 131 A N 4.431 126.959 122.820 -0.487 0.000 2.354 131 A HA 0.622 4.941 4.320 -0.001 0.000 0.281 131 A C -0.081 177.360 177.584 -0.237 0.000 1.174 131 A CA -0.462 51.285 52.037 -0.483 0.000 0.828 131 A CB -0.227 18.094 19.000 -1.132 0.000 1.099 131 A HN 0.852 nan 8.150 nan 0.000 0.516 132 I N 1.754 122.234 120.570 -0.150 0.000 2.533 132 I HA 0.249 4.418 4.170 -0.001 0.000 0.290 132 I C -0.888 175.164 176.117 -0.109 0.000 1.056 132 I CA -0.466 60.743 61.300 -0.150 0.000 1.057 132 I CB 2.215 40.117 38.000 -0.162 0.000 1.240 132 I HN 0.513 nan 8.210 nan 0.000 0.423 133 c N 3.745 122.242 118.600 -0.172 0.000 2.206 133 c HA 0.394 4.963 4.570 -0.001 0.000 0.324 133 c C -0.011 174.076 174.090 -0.006 0.000 1.120 133 c CA -0.381 55.890 56.329 -0.096 0.000 1.546 133 c CB -0.667 41.723 42.510 -0.200 0.000 2.023 133 c HN 0.598 nan 8.230 nan 0.000 0.448 134 D N 1.799 122.246 120.400 0.077 0.000 2.185 134 D HA 0.294 4.933 4.640 -0.001 0.000 0.247 134 D C 0.853 177.274 176.300 0.202 0.000 1.027 134 D CA -0.261 53.811 54.000 0.119 0.000 0.861 134 D CB 1.103 41.893 40.800 -0.017 0.000 1.202 134 D HN 0.518 nan 8.370 nan 0.000 0.453 135 N N 2.108 120.905 118.700 0.162 0.000 2.356 135 N HA 0.112 4.851 4.740 -0.001 0.000 0.178 135 N C 0.951 176.430 175.510 -0.051 0.000 1.075 135 N CA 0.468 53.455 53.050 -0.105 0.000 0.889 135 N CB 0.080 38.336 38.487 -0.384 0.000 0.999 135 N HN 0.578 nan 8.380 nan 0.000 0.464 136 G N -0.281 108.526 108.800 0.013 0.000 2.326 136 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.286 136 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.286 136 G C 0.498 175.413 174.900 0.026 0.000 1.096 136 G CA 0.286 45.395 45.100 0.015 0.000 1.003 136 G HN 0.848 nan 8.290 nan 0.000 0.503 137 A N -0.984 121.877 122.820 0.069 0.000 2.456 137 A HA 0.748 5.067 4.320 -0.001 0.000 0.237 137 A C 1.363 179.024 177.584 0.128 0.000 1.217 137 A CA 1.312 53.392 52.037 0.072 0.000 0.962 137 A CB 0.499 19.533 19.000 0.057 0.000 1.079 137 A HN 1.847 nan 8.150 nan 0.000 0.536 138 G N -2.513 106.402 108.800 0.191 0.000 2.434 138 G HA2 0.381 4.340 3.960 -0.001 0.000 0.330 138 G HA3 0.381 4.340 3.960 -0.001 0.000 0.330 138 G C 0.335 175.369 174.900 0.223 0.000 1.155 138 G CA -0.374 44.883 45.100 0.262 0.000 0.917 138 G HN 0.182 nan 8.290 nan 0.000 0.493 139 Y N 0.057 120.428 120.300 0.118 0.000 2.207 139 Y HA -0.122 4.427 4.550 -0.001 0.000 0.287 139 Y C 1.289 177.210 175.900 0.035 0.000 1.156 139 Y CA 0.800 58.944 58.100 0.072 0.000 1.182 139 Y CB 0.087 38.561 38.460 0.022 0.000 0.979 139 Y HN 0.384 nan 8.280 nan 0.000 0.521 140 c N 0.737 119.425 118.600 0.146 0.000 2.435 140 c HA 0.489 5.058 4.570 -0.001 0.000 0.333 140 c C 0.233 174.452 174.090 0.215 0.000 1.202 140 c CA -0.981 55.381 56.329 0.055 0.000 1.830 140 c CB 0.802 43.151 42.510 -0.269 0.000 2.326 140 c HN 0.506 nan 8.230 nan 0.000 0.507 141 S N 2.074 117.879 115.700 0.176 0.000 2.573 141 S HA 0.029 4.498 4.470 -0.001 0.000 0.277 141 S C -0.080 174.530 174.600 0.017 0.000 1.346 141 S CA -0.225 58.024 58.200 0.082 0.000 1.034 141 S CB 0.169 63.392 63.200 0.038 0.000 0.879 141 S HN 0.774 nan 8.310 nan 0.000 0.528 142 N N 2.588 121.110 118.700 -0.297 0.000 2.414 142 N HA 0.141 4.881 4.740 -0.001 0.000 0.268 142 N C -1.676 173.565 175.510 -0.448 0.000 1.286 142 N CA -1.831 50.810 53.050 -0.682 0.000 0.896 142 N CB 0.427 38.574 38.487 -0.567 0.000 1.093 142 N HN 0.329 nan 8.380 nan 0.000 0.480 143 P HA 0.001 nan 4.420 nan 0.000 0.221 143 P C 0.315 177.451 177.300 -0.274 0.000 1.145 143 P CA 1.121 63.903 63.100 -0.529 0.000 0.795 143 P CB -0.251 30.989 31.700 -0.766 0.000 0.775 144 G N -0.292 108.359 108.800 -0.250 0.000 2.855 144 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.352 144 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.352 144 G C -0.626 174.230 174.900 -0.073 0.000 1.415 144 G CA -0.570 44.420 45.100 -0.184 0.000 0.871 144 G HN 0.188 nan 8.290 nan 0.000 0.543 145 I N 1.723 122.240 120.570 -0.089 0.000 2.495 145 I HA 0.265 4.434 4.170 -0.001 0.000 0.277 145 I C -2.196 173.891 176.117 -0.050 0.000 1.045 145 I CA -1.818 59.478 61.300 -0.006 0.000 1.135 145 I CB 1.980 39.942 38.000 -0.063 0.000 1.241 145 I HN 0.181 nan 8.210 nan 0.000 0.469 146 P HA 0.040 nan 4.420 nan 0.000 0.265 146 P C 0.082 177.315 177.300 -0.112 0.000 1.187 146 P CA 0.110 63.139 63.100 -0.120 0.000 0.766 146 P CB 0.502 32.118 31.700 -0.140 0.000 0.820 147 I N 2.232 122.709 120.570 -0.155 0.000 2.752 147 I HA -0.004 4.166 4.170 -0.001 0.000 0.286 147 I C 1.666 177.766 176.117 -0.028 0.000 1.180 147 I CA 1.364 62.565 61.300 -0.165 0.000 1.404 147 I CB -0.843 36.975 38.000 -0.303 0.000 1.389 147 I HN 0.770 nan 8.210 nan 0.000 0.549 148 G N 3.793 112.584 108.800 -0.015 0.000 2.238 148 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.217 148 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.217 148 G C 0.326 175.311 174.900 0.142 0.000 0.996 148 G CA 0.110 45.287 45.100 0.129 0.000 0.632 148 G HN 0.727 nan 8.290 nan 0.000 0.503 149 T N -2.210 112.350 114.554 0.009 0.000 2.884 149 T HA 0.720 5.069 4.350 -0.001 0.000 0.277 149 T C 0.019 174.683 174.700 -0.059 0.000 0.976 149 T CA 0.080 62.231 62.100 0.085 0.000 0.956 149 T CB 2.292 71.246 68.868 0.143 0.000 1.113 149 T HN 0.764 nan 8.240 nan 0.000 0.554 150 R N 0.422 120.987 120.500 0.109 0.000 2.569 150 R HA 0.343 4.682 4.340 -0.001 0.000 0.293 150 R C -0.929 175.360 176.300 -0.018 0.000 1.186 150 R CA -0.609 55.520 56.100 0.047 0.000 0.956 150 R CB 1.050 31.491 30.300 0.234 0.000 1.196 150 R HN 0.792 nan 8.270 nan 0.000 0.444 151 K N 3.354 123.641 120.400 -0.188 0.000 2.249 151 K HA 0.262 4.582 4.320 -0.001 0.000 0.280 151 K C -1.014 175.439 176.600 -0.246 0.000 1.033 151 K CA -0.367 55.633 56.287 -0.480 0.000 0.946 151 K CB 1.268 33.454 32.500 -0.523 0.000 1.005 151 K HN 0.294 nan 8.250 nan 0.000 0.469 152 V N 3.133 122.900 119.914 -0.245 0.000 2.305 152 V HA 0.557 4.676 4.120 -0.001 0.000 0.275 152 V C -0.191 175.833 176.094 -0.118 0.000 1.020 152 V CA -0.305 61.930 62.300 -0.107 0.000 0.811 152 V CB 0.840 32.660 31.823 -0.005 0.000 1.031 152 V HN 0.996 nan 8.190 nan 0.000 0.439 153 G N 2.851 111.582 108.800 -0.114 0.000 2.414 153 G HA2 0.125 4.084 3.960 -0.001 0.000 0.213 153 G HA3 0.125 4.084 3.960 -0.001 0.000 0.213 153 G C 0.173 174.962 174.900 -0.185 0.000 1.444 153 G CA 0.009 45.042 45.100 -0.113 0.000 1.076 153 G HN 0.783 nan 8.290 nan 0.000 0.638 154 S N 0.903 116.455 115.700 -0.246 0.000 2.486 154 S HA 0.143 4.612 4.470 -0.001 0.000 0.220 154 S C 0.816 174.895 174.600 -0.869 0.000 1.011 154 S CA 0.270 58.212 58.200 -0.430 0.000 0.921 154 S CB 0.138 63.211 63.200 -0.212 0.000 0.785 154 S HN 0.668 nan 8.310 nan 0.000 0.517 155 Q N 0.911 120.414 119.800 -0.494 0.000 2.296 155 Q HA 0.198 4.537 4.340 -0.001 0.000 0.262 155 Q C -1.025 174.808 176.000 -0.279 0.000 0.981 155 Q CA -0.007 55.582 55.803 -0.358 0.000 0.905 155 Q CB 0.321 28.988 28.738 -0.119 0.000 1.186 155 Q HN 0.578 nan 8.270 nan 0.000 0.399 156 Y N 1.110 121.545 120.300 0.225 0.000 2.734 156 Y HA 0.244 4.793 4.550 -0.001 0.000 0.278 156 Y C 0.394 176.411 175.900 0.195 0.000 1.108 156 Y CA -0.519 57.801 58.100 0.366 0.000 1.211 156 Y CB 0.166 38.878 38.460 0.419 0.000 1.182 156 Y HN 0.398 nan 8.280 nan 0.000 0.547 157 R N 0.046 120.658 120.500 0.187 0.000 3.038 157 R HA 0.241 4.580 4.340 -0.001 0.000 0.263 157 R C -0.373 175.913 176.300 -0.023 0.000 1.208 157 R CA -0.900 55.258 56.100 0.098 0.000 1.116 157 R CB 0.128 30.448 30.300 0.033 0.000 1.045 157 R HN 0.089 nan 8.270 nan 0.000 0.549 158 L N 1.376 122.506 121.223 -0.155 0.000 2.371 158 L HA 0.053 4.393 4.340 -0.001 0.000 0.272 158 L C 0.253 177.005 176.870 -0.197 0.000 1.124 158 L CA 0.779 55.427 54.840 -0.320 0.000 0.816 158 L CB 0.232 41.941 42.059 -0.584 0.000 1.129 158 L HN 0.754 nan 8.230 nan 0.000 0.448 159 E N -0.112 119.974 120.200 -0.191 0.000 3.975 159 E HA -0.248 4.102 4.350 -0.001 0.000 0.342 159 E C -0.353 176.217 176.600 -0.050 0.000 0.677 159 E CA 1.235 57.570 56.400 -0.109 0.000 1.238 159 E CB -1.032 28.614 29.700 -0.090 0.000 1.665 159 E HN 0.760 nan 8.360 nan 0.000 0.429 160 D N 0.285 120.661 120.400 -0.040 0.000 2.361 160 D HA 0.368 5.007 4.640 -0.001 0.000 0.239 160 D C 0.016 176.426 176.300 0.182 0.000 1.200 160 D CA 0.368 54.405 54.000 0.062 0.000 0.915 160 D CB 0.953 41.814 40.800 0.100 0.000 1.170 160 D HN -0.062 nan 8.370 nan 0.000 0.444 161 S N -0.904 114.941 115.700 0.242 0.000 2.627 161 S HA 0.739 5.209 4.470 -0.001 0.000 0.283 161 S C -0.918 173.825 174.600 0.238 0.000 1.127 161 S CA -0.878 57.516 58.200 0.323 0.000 0.863 161 S CB 1.920 65.228 63.200 0.180 0.000 1.121 161 S HN 0.346 nan 8.310 nan 0.000 0.479 162 V N -0.569 119.445 119.914 0.167 0.000 2.841 162 V HA 0.940 5.060 4.120 -0.001 0.000 0.310 162 V C -0.429 175.616 176.094 -0.081 0.000 1.090 162 V CA -0.813 61.461 62.300 -0.043 0.000 0.930 162 V CB 1.268 32.959 31.823 -0.221 0.000 1.014 162 V HN 0.982 nan 8.190 nan 0.000 0.425 163 T N 0.914 115.362 114.554 -0.177 0.000 2.888 163 T HA 0.814 5.164 4.350 -0.001 0.000 0.284 163 T C -1.129 173.343 174.700 -0.379 0.000 1.017 163 T CA -0.505 61.504 62.100 -0.153 0.000 1.022 163 T CB 1.619 70.464 68.868 -0.039 0.000 1.013 163 T HN 0.680 nan 8.240 nan 0.000 0.465 164 Y N -0.147 119.977 120.300 -0.294 0.000 2.485 164 Y HA 0.616 5.165 4.550 -0.001 0.000 0.345 164 Y C -0.057 175.528 175.900 -0.525 0.000 0.998 164 Y CA -0.858 57.088 58.100 -0.256 0.000 1.059 164 Y CB 2.246 40.608 38.460 -0.164 0.000 1.234 164 Y HN 0.850 nan 8.280 nan 0.000 0.461 165 H N -0.187 118.988 119.070 0.174 0.000 2.877 165 H HA 0.471 5.026 4.556 -0.001 0.000 0.347 165 H C -1.071 174.360 175.328 0.172 0.000 1.042 165 H CA -0.775 55.355 56.048 0.137 0.000 1.276 165 H CB 1.004 30.825 29.762 0.099 0.000 1.681 165 H HN 0.678 nan 8.280 nan 0.000 0.521 166 c N 1.627 120.365 118.600 0.231 0.000 2.403 166 c HA 0.442 5.011 4.570 -0.001 0.000 0.361 166 c C 0.910 175.106 174.090 0.176 0.000 1.274 166 c CA -0.524 55.929 56.329 0.207 0.000 2.433 166 c CB 0.834 43.416 42.510 0.120 0.000 2.323 166 c HN 0.862 nan 8.230 nan 0.000 0.614 167 S N 0.204 115.991 115.700 0.145 0.000 2.606 167 S HA 0.183 4.652 4.470 -0.001 0.000 0.257 167 S C 0.210 174.831 174.600 0.036 0.000 1.327 167 S CA -0.393 57.813 58.200 0.010 0.000 0.984 167 S CB 0.197 63.393 63.200 -0.008 0.000 0.941 167 S HN 0.568 nan 8.310 nan 0.000 0.576 168 R N 0.718 121.225 120.500 0.012 0.000 2.421 168 R HA 0.372 4.711 4.340 -0.001 0.000 0.305 168 R C 1.163 177.501 176.300 0.063 0.000 1.039 168 R CA 0.653 56.774 56.100 0.036 0.000 1.003 168 R CB -0.165 30.150 30.300 0.025 0.000 0.959 168 R HN 1.004 nan 8.270 nan 0.000 0.427 169 G N 2.058 110.900 108.800 0.070 0.000 2.163 169 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.213 169 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.213 169 G C -0.447 174.499 174.900 0.076 0.000 0.991 169 G CA -0.597 44.557 45.100 0.090 0.000 0.653 169 G HN 0.358 nan 8.290 nan 0.000 0.518 170 L N 1.164 122.422 121.223 0.059 0.000 2.346 170 L HA 0.728 5.067 4.340 -0.001 0.000 0.274 170 L C 0.390 177.276 176.870 0.028 0.000 1.007 170 L CA -0.497 54.365 54.840 0.036 0.000 0.818 170 L CB 2.070 44.156 42.059 0.046 0.000 1.284 170 L HN 0.046 nan 8.230 nan 0.000 0.424 171 T N 3.223 117.779 114.554 0.003 0.000 2.744 171 T HA 0.398 4.748 4.350 -0.001 0.000 0.291 171 T C -0.368 174.326 174.700 -0.010 0.000 0.957 171 T CA -0.343 61.758 62.100 0.001 0.000 1.002 171 T CB 0.715 69.578 68.868 -0.008 0.000 0.919 171 T HN 0.319 nan 8.240 nan 0.000 0.468 172 L N 4.730 125.952 121.223 -0.002 0.000 2.418 172 L HA 0.355 4.695 4.340 -0.001 0.000 0.274 172 L C 0.444 177.287 176.870 -0.045 0.000 1.135 172 L CA 0.178 55.006 54.840 -0.020 0.000 0.870 172 L CB 0.006 42.059 42.059 -0.010 0.000 1.154 172 L HN 0.537 nan 8.230 nan 0.000 0.462 173 R N 4.341 124.799 120.500 -0.070 0.000 2.460 173 R HA 0.696 5.036 4.340 -0.001 0.000 0.303 173 R C 0.275 176.509 176.300 -0.111 0.000 0.968 173 R CA 0.297 56.345 56.100 -0.087 0.000 0.889 173 R CB 0.869 31.110 30.300 -0.098 0.000 1.123 173 R HN 0.985 nan 8.270 nan 0.000 0.455 174 G N 1.798 110.537 108.800 -0.102 0.000 2.464 174 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 174 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 174 G C -1.159 173.683 174.900 -0.098 0.000 1.186 174 G CA -0.308 44.726 45.100 -0.110 0.000 1.010 174 G HN 0.620 nan 8.290 nan 0.000 0.585 175 S N 0.716 116.347 115.700 -0.115 0.000 2.525 175 S HA 0.494 4.963 4.470 -0.001 0.000 0.290 175 S C 1.063 175.615 174.600 -0.079 0.000 1.152 175 S CA 0.516 58.669 58.200 -0.078 0.000 1.072 175 S CB 1.656 64.827 63.200 -0.049 0.000 1.027 175 S HN 0.991 nan 8.310 nan 0.000 0.500 176 Q N 1.769 121.552 119.800 -0.028 0.000 2.408 176 Q HA 0.192 4.532 4.340 -0.001 0.000 0.205 176 Q C 0.499 176.538 176.000 0.065 0.000 0.919 176 Q CA 0.451 56.251 55.803 -0.005 0.000 0.932 176 Q CB 0.328 29.034 28.738 -0.053 0.000 1.058 176 Q HN 0.530 nan 8.270 nan 0.000 0.517 177 R N 0.232 120.774 120.500 0.070 0.000 2.538 177 R HA 0.513 4.853 4.340 -0.001 0.000 0.292 177 R C -1.442 174.938 176.300 0.133 0.000 1.008 177 R CA -0.619 55.543 56.100 0.102 0.000 0.896 177 R CB 1.295 31.634 30.300 0.066 0.000 1.187 177 R HN 0.097 nan 8.270 nan 0.000 0.440 178 R N 2.451 123.073 120.500 0.202 0.000 2.513 178 R HA 0.366 4.705 4.340 -0.001 0.000 0.301 178 R C -1.071 175.522 176.300 0.488 0.000 0.968 178 R CA -0.897 55.377 56.100 0.290 0.000 0.872 178 R CB 2.647 33.105 30.300 0.264 0.000 1.177 178 R HN 0.512 nan 8.270 nan 0.000 0.444 179 T N 1.425 116.217 114.554 0.396 0.000 2.794 179 T HA 0.087 4.436 4.350 -0.001 0.000 0.280 179 T C -0.190 174.547 174.700 0.061 0.000 0.987 179 T CA -0.433 61.837 62.100 0.282 0.000 0.993 179 T CB 1.266 70.203 68.868 0.115 0.000 0.939 179 T HN 0.625 nan 8.240 nan 0.000 0.449 180 c N 5.967 124.315 118.600 -0.421 0.000 2.663 180 c HA 0.156 4.726 4.570 -0.001 0.000 0.379 180 c C 0.816 174.673 174.090 -0.387 0.000 1.255 180 c CA -0.276 55.488 56.329 -0.942 0.000 1.503 180 c CB -2.026 39.729 42.510 -1.258 0.000 2.187 180 c HN 0.775 nan 8.230 nan 0.000 0.580 181 Q N 2.601 122.256 119.800 -0.242 0.000 2.382 181 Q HA 0.188 4.528 4.340 -0.001 0.000 0.229 181 Q C 0.167 176.128 176.000 -0.065 0.000 1.006 181 Q CA -0.099 55.635 55.803 -0.114 0.000 0.916 181 Q CB 0.865 29.574 28.738 -0.048 0.000 1.235 181 Q HN 0.781 nan 8.270 nan 0.000 0.512 182 E N -0.202 119.969 120.200 -0.048 0.000 2.417 182 E HA 0.115 4.465 4.350 -0.001 0.000 0.261 182 E C 0.092 176.750 176.600 0.096 0.000 1.000 182 E CA 0.748 57.154 56.400 0.010 0.000 0.919 182 E CB -0.076 29.599 29.700 -0.041 0.000 0.955 182 E HN 0.805 nan 8.360 nan 0.000 0.455 183 G N 2.861 111.799 108.800 0.231 0.000 2.148 183 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.157 183 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.157 183 G C 0.552 175.452 174.900 -0.001 0.000 1.012 183 G CA -0.142 45.012 45.100 0.089 0.000 0.677 183 G HN 1.315 nan 8.290 nan 0.000 0.506 184 G N -0.721 108.082 108.800 0.005 0.000 2.392 184 G HA2 0.370 4.330 3.960 -0.001 0.000 0.290 184 G HA3 0.370 4.330 3.960 -0.001 0.000 0.290 184 G C 0.275 175.120 174.900 -0.092 0.000 1.032 184 G CA 1.259 46.261 45.100 -0.164 0.000 1.269 184 G HN 2.534 nan 8.290 nan 0.000 0.511 185 S N -0.989 114.647 115.700 -0.107 0.000 2.570 185 S HA 0.563 5.033 4.470 -0.001 0.000 0.286 185 S C -0.753 173.790 174.600 -0.096 0.000 1.143 185 S CA -1.093 57.076 58.200 -0.051 0.000 0.921 185 S CB 0.782 63.975 63.200 -0.011 0.000 1.108 185 S HN 0.819 nan 8.310 nan 0.000 0.456 186 W N 3.110 124.429 121.300 0.030 0.000 2.315 186 W HA 0.563 5.222 4.660 -0.001 0.000 0.316 186 W C 1.198 177.730 176.519 0.021 0.000 1.211 186 W CA -0.004 57.365 57.345 0.040 0.000 1.201 186 W CB 1.229 30.714 29.460 0.042 0.000 1.184 186 W HN 0.888 nan 8.180 nan 0.000 0.544 187 S N 2.686 118.533 115.700 0.246 0.000 2.596 187 S HA 0.694 5.163 4.470 -0.001 0.000 0.260 187 S C 0.815 175.494 174.600 0.132 0.000 1.336 187 S CA 0.044 58.329 58.200 0.142 0.000 0.993 187 S CB 0.659 63.921 63.200 0.105 0.000 0.923 187 S HN 1.412 nan 8.310 nan 0.000 0.567 188 G N 0.203 109.042 108.800 0.066 0.000 2.645 188 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.246 188 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.246 188 G C -0.057 174.852 174.900 0.015 0.000 1.322 188 G CA 0.044 45.161 45.100 0.028 0.000 0.898 188 G HN 1.518 nan 8.290 nan 0.000 0.573 189 T N -0.938 113.600 114.554 -0.027 0.000 2.926 189 T HA 0.556 4.905 4.350 -0.001 0.000 0.289 189 T C 0.046 174.669 174.700 -0.128 0.000 1.054 189 T CA 0.519 62.586 62.100 -0.054 0.000 1.015 189 T CB 1.577 70.418 68.868 -0.046 0.000 1.167 189 T HN 0.832 nan 8.240 nan 0.000 0.526 190 E N 2.415 122.523 120.200 -0.153 0.000 2.366 190 E HA 0.244 4.593 4.350 -0.001 0.000 0.266 190 E C -2.130 174.292 176.600 -0.297 0.000 1.015 190 E CA -1.509 54.739 56.400 -0.253 0.000 0.906 190 E CB 0.539 30.117 29.700 -0.204 0.000 0.979 190 E HN 0.297 nan 8.360 nan 0.000 0.443 191 P HA 0.019 nan 4.420 nan 0.000 0.271 191 P C -1.413 175.725 177.300 -0.269 0.000 1.244 191 P CA -0.120 62.736 63.100 -0.408 0.000 0.793 191 P CB 0.666 31.953 31.700 -0.687 0.000 0.984 192 S N -1.490 114.102 115.700 -0.180 0.000 2.428 192 S HA 0.180 4.649 4.470 -0.001 0.000 0.269 192 S C -0.873 173.681 174.600 -0.078 0.000 1.026 192 S CA -0.854 57.275 58.200 -0.119 0.000 1.019 192 S CB -0.931 62.199 63.200 -0.116 0.000 1.191 192 S HN 0.406 nan 8.310 nan 0.000 0.429 193 c N 5.023 123.601 118.600 -0.037 0.000 2.657 193 c HA 0.383 4.952 4.570 -0.001 0.000 0.404 193 c C 0.663 174.728 174.090 -0.042 0.000 1.369 193 c CA -0.114 56.209 56.329 -0.010 0.000 1.665 193 c CB -1.002 41.538 42.510 0.050 0.000 2.453 193 c HN 0.748 nan 8.230 nan 0.000 0.599 194 Q N 2.333 122.093 119.800 -0.067 0.000 2.248 194 Q HA 0.405 4.744 4.340 -0.001 0.000 0.263 194 Q C 0.056 175.969 176.000 -0.145 0.000 1.007 194 Q CA -0.399 55.329 55.803 -0.124 0.000 0.877 194 Q CB 2.007 30.676 28.738 -0.115 0.000 1.315 194 Q HN 0.710 nan 8.270 nan 0.000 0.454 195 D N 0.132 120.365 120.400 -0.278 0.000 2.871 195 D HA 0.213 4.853 4.640 -0.001 0.000 0.223 195 D C -0.009 176.138 176.300 -0.255 0.000 1.225 195 D CA 0.139 53.953 54.000 -0.310 0.000 1.188 195 D CB 0.686 41.112 40.800 -0.623 0.000 1.105 195 D HN 0.458 nan 8.370 nan 0.000 0.444 196 S N -0.573 114.935 115.700 -0.319 0.000 2.901 196 S HA 0.326 4.795 4.470 -0.001 0.000 0.248 196 S C -0.216 174.446 174.600 0.103 0.000 1.021 196 S CA -0.620 57.560 58.200 -0.032 0.000 1.090 196 S CB -0.647 62.635 63.200 0.136 0.000 1.039 196 S HN 0.453 nan 8.310 nan 0.000 0.514 197 F N -2.735 117.184 119.950 -0.051 0.000 3.301 197 F HA 0.439 4.966 4.527 -0.001 0.000 0.381 197 F C 0.908 176.720 175.800 0.020 0.000 1.186 197 F CA -0.716 57.290 58.000 0.010 0.000 0.840 197 F CB -0.689 38.226 39.000 -0.141 0.000 1.710 197 F HN 0.112 nan 8.300 nan 0.000 0.489 198 M N 1.140 120.481 119.600 -0.431 0.000 2.200 198 M HA 0.025 4.504 4.480 -0.001 0.000 0.265 198 M C 1.006 176.914 176.300 -0.654 0.000 1.066 198 M CA 1.677 56.666 55.300 -0.518 0.000 1.127 198 M CB -0.606 31.703 32.600 -0.485 0.000 1.379 198 M HN 0.427 nan 8.290 nan 0.000 0.420 199 Y N -0.518 119.761 120.300 -0.035 0.000 3.187 199 Y HA -0.334 4.215 4.550 -0.001 0.000 0.359 199 Y C -0.860 175.060 175.900 0.034 0.000 1.065 199 Y CA -0.133 57.982 58.100 0.026 0.000 1.245 199 Y CB -1.448 37.050 38.460 0.062 0.000 0.965 199 Y HN 0.235 nan 8.280 nan 0.000 0.597 200 D N -0.109 120.553 120.400 0.438 0.000 2.890 200 D HA 0.317 4.956 4.640 -0.001 0.000 0.233 200 D C -0.667 175.860 176.300 0.378 0.000 1.306 200 D CA 0.086 54.259 54.000 0.288 0.000 0.929 200 D CB 1.707 42.650 40.800 0.238 0.000 1.512 200 D HN 0.866 nan 8.370 nan 0.000 0.568 201 T N -0.367 114.372 114.554 0.308 0.000 2.932 201 T HA 0.134 4.483 4.350 -0.001 0.000 0.312 201 T C -1.672 173.126 174.700 0.162 0.000 1.071 201 T CA -0.838 61.407 62.100 0.242 0.000 1.128 201 T CB 1.076 70.052 68.868 0.180 0.000 0.984 201 T HN -0.007 nan 8.240 nan 0.000 0.549 202 P HA -0.170 nan 4.420 nan 0.000 0.217 202 P C 1.635 178.971 177.300 0.059 0.000 1.148 202 P CA 1.227 64.375 63.100 0.081 0.000 0.834 202 P CB 0.064 31.803 31.700 0.066 0.000 0.783 203 Q N -0.130 119.709 119.800 0.066 0.000 2.049 203 Q HA -0.165 4.174 4.340 -0.001 0.000 0.198 203 Q C 2.050 178.090 176.000 0.067 0.000 0.971 203 Q CA 1.279 57.112 55.803 0.051 0.000 0.833 203 Q CB -0.300 28.468 28.738 0.049 0.000 0.896 203 Q HN 0.241 nan 8.270 nan 0.000 0.434 204 E N -0.387 119.869 120.200 0.094 0.000 2.118 204 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 204 E C 2.019 178.726 176.600 0.177 0.000 0.992 204 E CA 1.521 57.990 56.400 0.116 0.000 0.804 204 E CB 0.091 29.860 29.700 0.114 0.000 0.741 204 E HN 0.222 nan 8.360 nan 0.000 0.458 205 V N 1.115 121.137 119.914 0.180 0.000 2.283 205 V HA -0.218 3.901 4.120 -0.001 0.000 0.243 205 V C 2.317 178.413 176.094 0.003 0.000 1.039 205 V CA 1.796 64.208 62.300 0.186 0.000 1.016 205 V CB -0.710 31.173 31.823 0.100 0.000 0.650 205 V HN 0.312 nan 8.190 nan 0.000 0.449 206 A N -0.312 122.470 122.820 -0.064 0.000 1.972 206 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 206 A C 2.153 179.740 177.584 0.005 0.000 1.169 206 A CA 2.117 54.083 52.037 -0.118 0.000 0.635 206 A CB -0.458 18.464 19.000 -0.131 0.000 0.810 206 A HN 0.548 nan 8.150 nan 0.000 0.446 207 E N -0.167 120.061 120.200 0.047 0.000 2.072 207 E HA 0.071 4.420 4.350 -0.001 0.000 0.190 207 E C 1.949 178.600 176.600 0.085 0.000 0.982 207 E CA 1.283 57.716 56.400 0.055 0.000 0.803 207 E CB -0.319 29.411 29.700 0.050 0.000 0.755 207 E HN 0.475 nan 8.360 nan 0.000 0.453 208 A N -0.777 122.140 122.820 0.161 0.000 2.072 208 A HA 0.021 4.340 4.320 -0.001 0.000 0.216 208 A C 1.907 179.657 177.584 0.277 0.000 1.156 208 A CA 0.467 52.627 52.037 0.204 0.000 0.701 208 A CB -0.553 18.605 19.000 0.262 0.000 0.816 208 A HN 0.391 nan 8.150 nan 0.000 0.458 209 F N 0.426 120.428 119.950 0.086 0.000 2.149 209 F HA 0.034 4.560 4.527 -0.001 0.000 0.294 209 F C 1.796 177.533 175.800 -0.105 0.000 1.095 209 F CA 1.376 59.347 58.000 -0.049 0.000 1.276 209 F CB -0.141 38.598 39.000 -0.435 0.000 1.023 209 F HN 0.115 nan 8.300 nan 0.000 0.480 210 L N -0.002 121.202 121.223 -0.032 0.000 2.056 210 L HA -0.180 4.159 4.340 -0.001 0.000 0.207 210 L C 2.654 179.451 176.870 -0.122 0.000 1.078 210 L CA 1.402 56.179 54.840 -0.106 0.000 0.749 210 L CB -1.047 41.016 42.059 0.008 0.000 0.901 210 L HN 0.279 nan 8.230 nan 0.000 0.433 211 S N -2.080 113.585 115.700 -0.059 0.000 2.469 211 S HA -0.163 4.306 4.470 -0.001 0.000 0.238 211 S C 1.942 176.497 174.600 -0.075 0.000 0.998 211 S CA 1.336 59.503 58.200 -0.054 0.000 0.957 211 S CB -0.144 63.042 63.200 -0.022 0.000 0.764 211 S HN 0.361 nan 8.310 nan 0.000 0.514 212 S N -0.473 115.166 115.700 -0.102 0.000 2.506 212 S HA 0.316 4.786 4.470 -0.001 0.000 0.219 212 S C 1.268 175.828 174.600 -0.066 0.000 1.031 212 S CA -0.013 58.137 58.200 -0.083 0.000 0.911 212 S CB -0.146 62.989 63.200 -0.108 0.000 0.812 212 S HN 0.414 nan 8.310 nan 0.000 0.497 213 L N 1.977 123.059 121.223 -0.235 0.000 2.189 213 L HA 0.201 4.540 4.340 -0.001 0.000 0.199 213 L C 2.588 179.340 176.870 -0.197 0.000 1.074 213 L CA 2.474 57.153 54.840 -0.269 0.000 0.783 213 L CB -1.272 40.380 42.059 -0.679 0.000 0.955 213 L HN 0.454 nan 8.230 nan 0.000 0.460 214 T N -3.001 111.419 114.554 -0.224 0.000 2.737 214 T HA -0.248 4.101 4.350 -0.001 0.000 0.269 214 T C 1.835 176.422 174.700 -0.189 0.000 1.040 214 T CA 1.519 63.469 62.100 -0.251 0.000 1.142 214 T CB -0.646 68.081 68.868 -0.235 0.000 0.861 214 T HN 0.416 nan 8.240 nan 0.000 0.456 215 E N 1.297 121.415 120.200 -0.136 0.000 2.153 215 E HA -0.104 4.246 4.350 -0.001 0.000 0.194 215 E C 1.892 178.432 176.600 -0.100 0.000 0.988 215 E CA 1.421 57.756 56.400 -0.108 0.000 0.811 215 E CB -0.577 29.072 29.700 -0.086 0.000 0.746 215 E HN 0.640 nan 8.360 nan 0.000 0.466 216 T N 0.526 115.029 114.554 -0.085 0.000 3.160 216 T HA 0.118 4.467 4.350 -0.001 0.000 0.257 216 T C 1.754 176.398 174.700 -0.093 0.000 1.147 216 T CA 0.276 62.334 62.100 -0.070 0.000 1.064 216 T CB 0.127 68.993 68.868 -0.003 0.000 0.949 216 T HN 0.171 nan 8.240 nan 0.000 0.526 217 I N 0.127 120.622 120.570 -0.124 0.000 3.172 217 I HA 0.103 4.272 4.170 -0.001 0.000 0.278 217 I C 2.291 178.328 176.117 -0.134 0.000 1.174 217 I CA 0.389 61.605 61.300 -0.140 0.000 1.445 217 I CB 0.015 37.891 38.000 -0.207 0.000 1.175 217 I HN 0.155 nan 8.210 nan 0.000 0.447 218 E N 1.539 121.656 120.200 -0.138 0.000 2.085 218 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 218 E C 2.245 178.792 176.600 -0.088 0.000 0.994 218 E CA 1.450 57.783 56.400 -0.112 0.000 0.801 218 E CB -0.306 29.330 29.700 -0.107 0.000 0.743 218 E HN 0.555 nan 8.360 nan 0.000 0.453 219 G N 0.794 109.538 108.800 -0.094 0.000 2.443 219 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.219 219 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.219 219 G C 1.699 176.544 174.900 -0.091 0.000 1.131 219 G CA 0.361 45.408 45.100 -0.090 0.000 0.775 219 G HN 0.107 nan 8.290 nan 0.000 0.547 220 V N 1.370 121.227 119.914 -0.096 0.000 2.490 220 V HA -0.091 4.028 4.120 -0.001 0.000 0.250 220 V C 0.868 176.929 176.094 -0.054 0.000 1.061 220 V CA 1.312 63.563 62.300 -0.081 0.000 1.064 220 V CB -0.365 31.410 31.823 -0.080 0.000 0.670 220 V HN 0.240 nan 8.190 nan 0.000 0.461 221 D N 1.667 122.036 120.400 -0.050 0.000 2.597 221 D HA 0.452 5.091 4.640 -0.001 0.000 0.228 221 D C 0.214 176.500 176.300 -0.024 0.000 1.120 221 D CA 0.715 54.696 54.000 -0.031 0.000 1.083 221 D CB -0.001 40.782 40.800 -0.028 0.000 1.116 221 D HN 0.425 nan 8.370 nan 0.000 0.487 222 A N 2.436 125.243 122.820 -0.022 0.000 2.664 222 A HA 0.328 4.648 4.320 -0.001 0.000 0.300 222 A C 0.156 177.731 177.584 -0.015 0.000 1.210 222 A CA -0.738 51.289 52.037 -0.017 0.000 0.863 222 A CB 0.003 18.992 19.000 -0.018 0.000 1.464 222 A HN 0.242 nan 8.150 nan 0.000 0.438 241 S N -0.702 115.012 115.700 0.024 0.000 3.516 241 S HA 0.108 4.577 4.470 -0.001 0.000 0.562 241 S C 0.501 175.107 174.600 0.009 0.000 0.655 241 S CA 0.736 58.949 58.200 0.021 0.000 1.400 241 S CB -1.560 61.654 63.200 0.023 0.000 0.946 241 S HN 1.159 nan 8.310 nan 0.000 0.871 242 G N 3.796 112.598 108.800 0.003 0.000 2.491 242 G HA2 0.417 4.376 3.960 -0.001 0.000 0.238 242 G HA3 0.417 4.376 3.960 -0.001 0.000 0.238 242 G C 0.720 175.604 174.900 -0.026 0.000 1.277 242 G CA -0.064 45.030 45.100 -0.011 0.000 0.851 242 G HN 1.866 nan 8.290 nan 0.000 0.573 243 S N 1.250 116.935 115.700 -0.026 0.000 4.085 243 S HA 0.357 4.826 4.470 -0.001 0.000 0.189 243 S C 0.145 174.706 174.600 -0.065 0.000 1.392 243 S CA -0.365 57.817 58.200 -0.030 0.000 0.972 243 S CB -0.495 62.698 63.200 -0.011 0.000 1.482 243 S HN 0.590 nan 8.310 nan 0.000 0.446 244 M N 2.342 121.885 119.600 -0.096 0.000 2.322 244 M HA 0.433 4.912 4.480 -0.001 0.000 0.285 244 M C -2.297 173.886 176.300 -0.195 0.000 1.119 244 M CA -0.435 54.779 55.300 -0.143 0.000 0.953 244 M CB 1.678 34.211 32.600 -0.112 0.000 1.701 244 M HN 0.191 nan 8.290 nan 0.000 0.479 245 N N 4.938 123.492 118.700 -0.243 0.000 2.362 245 N HA 0.633 5.372 4.740 -0.001 0.000 0.298 245 N C -1.429 173.836 175.510 -0.409 0.000 1.048 245 N CA -0.243 52.594 53.050 -0.354 0.000 0.858 245 N CB 1.983 40.271 38.487 -0.332 0.000 1.218 245 N HN 0.632 nan 8.380 nan 0.000 0.488 246 I N 2.627 122.877 120.570 -0.533 0.000 2.382 246 I HA 0.250 4.420 4.170 -0.001 0.000 0.285 246 I C -0.907 175.066 176.117 -0.239 0.000 1.007 246 I CA -0.730 60.385 61.300 -0.309 0.000 1.142 246 I CB 0.583 38.374 38.000 -0.347 0.000 1.289 246 I HN 0.340 nan 8.210 nan 0.000 0.453 247 Y N 6.507 126.917 120.300 0.185 0.000 2.454 247 Y HA 0.412 4.962 4.550 -0.001 0.000 0.345 247 Y C 0.060 176.095 175.900 0.226 0.000 0.970 247 Y CA -0.658 57.565 58.100 0.205 0.000 1.204 247 Y CB 0.686 39.257 38.460 0.185 0.000 1.122 247 Y HN 0.370 nan 8.280 nan 0.000 0.514 248 L N 5.234 126.656 121.223 0.331 0.000 2.302 248 L HA 0.349 4.689 4.340 -0.001 0.000 0.285 248 L C -0.620 176.404 176.870 0.257 0.000 1.090 248 L CA -0.680 54.318 54.840 0.264 0.000 0.866 248 L CB 0.279 42.450 42.059 0.188 0.000 1.244 248 L HN 0.373 nan 8.230 nan 0.000 0.435 249 V N 4.886 124.964 119.914 0.273 0.000 2.318 249 V HA 0.236 4.355 4.120 -0.001 0.000 0.271 249 V C 0.052 176.325 176.094 0.299 0.000 1.030 249 V CA -0.418 62.059 62.300 0.295 0.000 0.844 249 V CB 1.586 33.569 31.823 0.267 0.000 1.015 249 V HN 0.400 nan 8.190 nan 0.000 0.460 250 L N 4.523 125.904 121.223 0.263 0.000 2.307 250 L HA 0.616 4.955 4.340 -0.001 0.000 0.282 250 L C -0.200 176.767 176.870 0.162 0.000 1.051 250 L CA 0.038 54.980 54.840 0.170 0.000 0.804 250 L CB 1.545 43.622 42.059 0.029 0.000 1.197 250 L HN 0.603 nan 8.230 nan 0.000 0.431 251 D N 2.771 123.216 120.400 0.076 0.000 2.280 251 D HA 0.443 5.082 4.640 -0.001 0.000 0.243 251 D C 0.527 176.850 176.300 0.039 0.000 1.129 251 D CA -0.011 53.835 54.000 -0.256 0.000 0.848 251 D CB 1.563 42.281 40.800 -0.136 0.000 1.107 251 D HN 0.697 nan 8.370 nan 0.000 0.471 252 G N 2.280 110.953 108.800 -0.212 0.000 3.899 252 G HA2 0.162 4.121 3.960 -0.001 0.000 0.293 252 G HA3 0.162 4.121 3.960 -0.001 0.000 0.293 252 G C 0.416 175.096 174.900 -0.366 0.000 1.054 252 G CA -0.165 44.794 45.100 -0.236 0.000 0.846 252 G HN 0.494 nan 8.290 nan 0.000 0.525 253 S N -0.972 114.589 115.700 -0.233 0.000 2.596 253 S HA 0.391 4.861 4.470 -0.001 0.000 0.260 253 S C 1.549 176.129 174.600 -0.033 0.000 1.336 253 S CA 0.303 58.411 58.200 -0.154 0.000 0.993 253 S CB 1.590 64.737 63.200 -0.089 0.000 0.923 253 S HN 0.294 nan 8.310 nan 0.000 0.567 254 G N -0.234 108.558 108.800 -0.012 0.000 2.920 254 G HA2 0.096 4.055 3.960 -0.001 0.000 0.208 254 G HA3 0.096 4.055 3.960 -0.001 0.000 0.208 254 G C 0.980 175.953 174.900 0.122 0.000 1.159 254 G CA 0.236 45.390 45.100 0.090 0.000 0.784 254 G HN 0.923 nan 8.290 nan 0.000 0.535 255 S N -0.697 115.060 115.700 0.095 0.000 2.556 255 S HA 0.304 4.773 4.470 -0.001 0.000 0.216 255 S C 1.650 176.310 174.600 0.099 0.000 0.970 255 S CA -0.288 57.963 58.200 0.085 0.000 0.912 255 S CB 0.036 63.274 63.200 0.064 0.000 0.790 255 S HN 0.304 nan 8.310 nan 0.000 0.504 256 I N 1.031 121.683 120.570 0.136 0.000 3.194 256 I HA 0.384 4.554 4.170 -0.001 0.000 0.271 256 I C 1.241 177.382 176.117 0.040 0.000 1.150 256 I CA 0.611 61.984 61.300 0.123 0.000 1.440 256 I CB -0.156 37.963 38.000 0.199 0.000 1.276 256 I HN 0.519 nan 8.210 nan 0.000 0.457 257 G N 0.810 109.583 108.800 -0.045 0.000 2.712 257 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.686 257 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.686 257 G C 0.407 174.841 174.900 -0.778 0.000 1.181 257 G CA -0.331 44.559 45.100 -0.350 0.000 0.762 257 G HN 0.359 nan 8.290 nan 0.000 0.641 258 A N 1.022 123.188 122.820 -1.089 0.000 2.070 258 A HA 0.173 4.493 4.320 -0.001 0.000 0.220 258 A C 2.753 180.187 177.584 -0.250 0.000 1.159 258 A CA 2.905 54.461 52.037 -0.803 0.000 0.656 258 A CB -0.498 18.229 19.000 -0.455 0.000 0.800 258 A HN 2.094 nan 8.150 nan 0.000 0.453 259 S N 0.039 115.622 115.700 -0.194 0.000 2.343 259 S HA -0.164 4.306 4.470 -0.001 0.000 0.219 259 S C 1.432 176.001 174.600 -0.051 0.000 1.033 259 S CA 1.657 59.804 58.200 -0.088 0.000 1.014 259 S CB -0.416 62.744 63.200 -0.068 0.000 0.915 259 S HN 0.567 nan 8.310 nan 0.000 0.435 260 D N -0.182 120.195 120.400 -0.038 0.000 2.363 260 D HA 0.102 4.741 4.640 -0.001 0.000 0.220 260 D C 1.147 177.463 176.300 0.027 0.000 0.994 260 D CA 0.238 54.236 54.000 -0.003 0.000 0.890 260 D CB -0.150 40.663 40.800 0.021 0.000 0.906 260 D HN 0.476 nan 8.370 nan 0.000 0.530 261 F N 1.261 121.141 119.950 -0.116 0.000 2.164 261 F HA -0.108 4.418 4.527 -0.001 0.000 0.287 261 F C 2.453 178.217 175.800 -0.059 0.000 1.086 261 F CA 1.522 59.490 58.000 -0.052 0.000 1.249 261 F CB -0.572 38.438 39.000 0.018 0.000 1.059 261 F HN -0.067 nan 8.300 nan 0.000 0.490 262 T N -1.895 112.708 114.554 0.082 0.000 2.849 262 T HA -0.095 4.254 4.350 -0.001 0.000 0.270 262 T C 2.182 176.790 174.700 -0.153 0.000 1.066 262 T CA 1.173 63.253 62.100 -0.033 0.000 1.130 262 T CB -1.463 67.429 68.868 0.039 0.000 0.864 262 T HN 0.343 nan 8.240 nan 0.000 0.481 263 G N 0.918 109.637 108.800 -0.134 0.000 2.421 263 G HA2 0.194 4.154 3.960 -0.001 0.000 0.217 263 G HA3 0.194 4.154 3.960 -0.001 0.000 0.217 263 G C 1.836 176.591 174.900 -0.241 0.000 1.143 263 G CA 0.530 45.540 45.100 -0.150 0.000 0.784 263 G HN 0.722 nan 8.290 nan 0.000 0.541 264 A N 0.777 123.421 122.820 -0.293 0.000 2.014 264 A HA 0.098 4.417 4.320 -0.001 0.000 0.218 264 A C 2.273 179.589 177.584 -0.447 0.000 1.163 264 A CA 1.645 53.461 52.037 -0.369 0.000 0.652 264 A CB -0.207 18.590 19.000 -0.339 0.000 0.808 264 A HN 0.369 nan 8.150 nan 0.000 0.449 265 K N 0.193 120.314 120.400 -0.464 0.000 1.984 265 K HA -0.123 4.196 4.320 -0.001 0.000 0.209 265 K C 1.946 178.331 176.600 -0.358 0.000 1.046 265 K CA 1.638 57.674 56.287 -0.418 0.000 0.934 265 K CB -0.241 32.029 32.500 -0.383 0.000 0.717 265 K HN 0.389 nan 8.250 nan 0.000 0.438 266 K N 0.657 120.873 120.400 -0.306 0.000 2.152 266 K HA -0.176 4.143 4.320 -0.001 0.000 0.206 266 K C 2.370 178.726 176.600 -0.406 0.000 1.048 266 K CA 1.287 57.404 56.287 -0.283 0.000 0.933 266 K CB -0.423 31.960 32.500 -0.195 0.000 0.721 266 K HN 0.240 nan 8.250 nan 0.000 0.447 267 C N 1.108 120.108 119.300 -0.500 0.000 2.425 267 C HA -0.052 4.407 4.460 -0.001 0.000 0.277 267 C C 2.344 176.740 174.990 -0.991 0.000 1.280 267 C CA 0.599 59.143 59.018 -0.790 0.000 1.744 267 C CB -0.844 26.421 27.740 -0.792 0.000 1.989 267 C HN 0.398 nan 8.230 nan 0.000 0.491 268 L N 0.026 120.845 121.223 -0.674 0.000 2.179 268 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 268 L C 2.615 179.269 176.870 -0.360 0.000 1.096 268 L CA 0.779 55.311 54.840 -0.514 0.000 0.779 268 L CB -0.564 41.282 42.059 -0.355 0.000 0.922 268 L HN 0.186 nan 8.230 nan 0.000 0.443 269 V N 0.495 120.207 119.914 -0.338 0.000 2.282 269 V HA -0.316 3.804 4.120 -0.001 0.000 0.249 269 V C 2.140 178.104 176.094 -0.216 0.000 1.057 269 V CA 2.057 64.203 62.300 -0.257 0.000 1.032 269 V CB -0.709 30.976 31.823 -0.230 0.000 0.645 269 V HN 0.520 nan 8.190 nan 0.000 0.447 270 N N -0.112 118.435 118.700 -0.256 0.000 2.309 270 N HA -0.099 4.640 4.740 -0.001 0.000 0.182 270 N C 1.560 177.042 175.510 -0.046 0.000 1.018 270 N CA 0.939 53.883 53.050 -0.176 0.000 0.876 270 N CB -0.465 37.855 38.487 -0.279 0.000 0.972 270 N HN 0.412 nan 8.380 nan 0.000 0.434 271 L N 1.160 122.362 121.223 -0.036 0.000 2.056 271 L HA 0.040 4.379 4.340 -0.001 0.000 0.207 271 L C 1.836 178.776 176.870 0.117 0.000 1.078 271 L CA 1.262 56.201 54.840 0.164 0.000 0.749 271 L CB -0.518 41.629 42.059 0.146 0.000 0.901 271 L HN 0.061 nan 8.230 nan 0.000 0.433 272 I N -0.510 120.064 120.570 0.005 0.000 2.179 272 I HA -0.292 3.877 4.170 -0.001 0.000 0.242 272 I C 2.509 178.632 176.117 0.010 0.000 1.088 272 I CA 1.760 63.042 61.300 -0.029 0.000 1.357 272 I CB -0.503 37.315 38.000 -0.303 0.000 1.051 272 I HN 0.421 nan 8.210 nan 0.000 0.409 273 E N 1.392 121.572 120.200 -0.033 0.000 2.150 273 E HA -0.287 4.062 4.350 -0.001 0.000 0.193 273 E C 2.094 178.687 176.600 -0.011 0.000 0.985 273 E CA 1.163 57.547 56.400 -0.025 0.000 0.814 273 E CB 0.125 29.797 29.700 -0.047 0.000 0.752 273 E HN 0.171 nan 8.360 nan 0.000 0.466 274 K N 0.341 120.748 120.400 0.011 0.000 2.026 274 K HA -0.099 4.220 4.320 -0.001 0.000 0.208 274 K C 1.847 178.455 176.600 0.013 0.000 1.048 274 K CA 1.564 57.844 56.287 -0.011 0.000 0.929 274 K CB -0.518 32.014 32.500 0.053 0.000 0.713 274 K HN 0.060 nan 8.250 nan 0.000 0.439 275 V N 1.073 121.092 119.914 0.175 0.000 2.515 275 V HA -0.145 3.974 4.120 -0.001 0.000 0.250 275 V C 2.351 178.584 176.094 0.231 0.000 1.058 275 V CA 1.728 64.216 62.300 0.313 0.000 1.064 275 V CB -0.872 31.142 31.823 0.319 0.000 0.675 275 V HN 0.473 nan 8.190 nan 0.000 0.461 276 A N 0.868 123.765 122.820 0.128 0.000 1.969 276 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 276 A C 2.494 180.094 177.584 0.027 0.000 1.169 276 A CA 1.805 53.895 52.037 0.089 0.000 0.635 276 A CB -0.605 18.428 19.000 0.055 0.000 0.810 276 A HN 0.680 nan 8.150 nan 0.000 0.445 277 S N -1.511 114.144 115.700 -0.076 0.000 2.474 277 S HA -0.127 4.343 4.470 -0.001 0.000 0.235 277 S C 1.380 175.878 174.600 -0.170 0.000 0.997 277 S CA 0.953 59.055 58.200 -0.163 0.000 0.949 277 S CB -0.725 62.310 63.200 -0.276 0.000 0.766 277 S HN 0.540 nan 8.310 nan 0.000 0.517 278 Y N 2.163 122.480 120.300 0.029 0.000 2.529 278 Y HA 0.367 4.916 4.550 -0.002 0.000 0.290 278 Y C 1.945 177.858 175.900 0.023 0.000 1.177 278 Y CA -0.664 57.449 58.100 0.022 0.000 1.305 278 Y CB -0.750 37.721 38.460 0.018 0.000 1.047 278 Y HN 0.411 nan 8.280 nan 0.000 0.522 279 G N 0.336 109.217 108.800 0.135 0.000 2.179 279 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.257 279 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.257 279 G C -0.268 174.692 174.900 0.099 0.000 1.010 279 G CA 0.399 45.556 45.100 0.096 0.000 0.736 279 G HN 0.167 nan 8.290 nan 0.000 0.513 280 V N -0.225 119.766 119.914 0.127 0.000 2.513 280 V HA 0.556 4.676 4.120 -0.001 0.000 0.299 280 V C 0.288 176.445 176.094 0.106 0.000 1.035 280 V CA -0.704 61.654 62.300 0.098 0.000 0.889 280 V CB 1.926 33.800 31.823 0.085 0.000 0.988 280 V HN 0.266 nan 8.190 nan 0.000 0.440 281 K N 5.294 125.743 120.400 0.081 0.000 2.562 281 K HA 0.407 4.726 4.320 -0.001 0.000 0.206 281 K C -2.659 173.977 176.600 0.060 0.000 1.033 281 K CA -1.426 54.924 56.287 0.105 0.000 1.029 281 K CB 1.302 33.859 32.500 0.096 0.000 1.393 281 K HN 0.434 nan 8.250 nan 0.000 0.539 282 P HA 0.156 nan 4.420 nan 0.000 0.293 282 P C -0.703 176.519 177.300 -0.131 0.000 1.298 282 P CA -0.588 62.431 63.100 -0.134 0.000 0.757 282 P CB 0.619 32.131 31.700 -0.312 0.000 1.262 283 R N -0.217 120.162 120.500 -0.201 0.000 2.246 283 R HA 0.393 4.732 4.340 -0.001 0.000 0.332 283 R C -0.583 175.592 176.300 -0.210 0.000 0.974 283 R CA -0.345 55.695 56.100 -0.099 0.000 0.837 283 R CB 0.226 30.498 30.300 -0.047 0.000 1.145 283 R HN 0.468 nan 8.270 nan 0.000 0.467 284 Y N 0.145 120.453 120.300 0.013 0.000 2.326 284 Y HA 0.495 5.044 4.550 -0.002 0.000 0.324 284 Y C 1.310 177.235 175.900 0.042 0.000 1.291 284 Y CA -0.271 57.833 58.100 0.007 0.000 1.348 284 Y CB 1.676 40.170 38.460 0.056 0.000 1.294 284 Y HN 0.641 nan 8.280 nan 0.000 0.525 285 G N 2.169 111.109 108.800 0.234 0.000 2.770 285 G HA2 0.401 4.360 3.960 -0.001 0.000 0.298 285 G HA3 0.401 4.360 3.960 -0.001 0.000 0.298 285 G C -2.187 172.889 174.900 0.293 0.000 1.534 285 G CA -0.501 44.757 45.100 0.265 0.000 1.046 285 G HN 0.440 nan 8.290 nan 0.000 0.548 286 L N 2.876 124.257 121.223 0.263 0.000 2.313 286 L HA 0.752 5.091 4.340 -0.001 0.000 0.282 286 L C -0.629 176.454 176.870 0.355 0.000 1.092 286 L CA -0.387 54.599 54.840 0.243 0.000 0.831 286 L CB 1.438 43.569 42.059 0.121 0.000 1.159 286 L HN 0.199 nan 8.230 nan 0.000 0.442 287 V N 3.937 124.064 119.914 0.355 0.000 2.567 287 V HA 0.406 4.526 4.120 -0.001 0.000 0.298 287 V C -0.248 176.099 176.094 0.423 0.000 1.047 287 V CA -0.426 62.117 62.300 0.406 0.000 0.880 287 V CB 1.996 34.003 31.823 0.307 0.000 1.009 287 V HN 0.860 nan 8.190 nan 0.000 0.429 288 T N 2.370 117.242 114.554 0.530 0.000 2.767 288 T HA 0.779 5.129 4.350 -0.001 0.000 0.284 288 T C -0.754 174.134 174.700 0.315 0.000 0.973 288 T CA -0.515 61.847 62.100 0.437 0.000 0.996 288 T CB 1.212 70.411 68.868 0.550 0.000 0.927 288 T HN 0.737 nan 8.240 nan 0.000 0.456 289 Y N 1.528 121.828 120.300 0.000 0.000 2.562 289 Y HA 0.924 5.473 4.550 -0.001 0.000 0.343 289 Y C 0.043 175.741 175.900 -0.336 0.000 1.025 289 Y CA -1.157 56.871 58.100 -0.120 0.000 1.082 289 Y CB 1.299 39.759 38.460 -0.000 0.000 1.264 289 Y HN 0.868 nan 8.280 nan 0.000 0.478 290 A N 1.116 123.781 122.820 -0.258 0.000 1.893 290 A HA 0.266 4.585 4.320 -0.001 0.000 0.175 290 A C 1.160 178.702 177.584 -0.070 0.000 1.480 290 A CA 0.435 52.307 52.037 -0.276 0.000 2.061 290 A CB -0.353 18.461 19.000 -0.311 0.000 2.260 290 A HN 0.712 nan 8.150 nan 0.000 1.021 291 T N -0.192 114.291 114.554 -0.119 0.000 3.014 291 T HA 0.265 4.614 4.350 -0.001 0.000 0.263 291 T C -0.464 173.820 174.700 -0.694 0.000 1.078 291 T CA 1.266 63.120 62.100 -0.410 0.000 1.135 291 T CB -0.345 68.210 68.868 -0.523 0.000 0.895 291 T HN 0.385 nan 8.240 nan 0.000 0.480 292 Y N -0.144 120.224 120.300 0.113 0.000 2.504 292 Y HA 0.464 5.013 4.550 -0.001 0.000 0.344 292 Y C -2.831 173.158 175.900 0.148 0.000 1.023 292 Y CA -3.314 54.850 58.100 0.107 0.000 1.020 292 Y CB 0.930 39.437 38.460 0.078 0.000 1.282 292 Y HN -0.185 nan 8.280 nan 0.000 0.454 293 P HA 0.145 nan 4.420 nan 0.000 0.269 293 P C -0.897 176.530 177.300 0.212 0.000 1.215 293 P CA -0.326 62.914 63.100 0.233 0.000 0.780 293 P CB 0.666 32.454 31.700 0.146 0.000 0.898 294 K N 2.805 123.332 120.400 0.211 0.000 2.656 294 K HA 0.382 4.701 4.320 -0.001 0.000 0.241 294 K C -1.184 175.394 176.600 -0.035 0.000 0.967 294 K CA -0.174 56.147 56.287 0.057 0.000 0.946 294 K CB -0.169 32.407 32.500 0.126 0.000 1.164 294 K HN 0.290 nan 8.250 nan 0.000 0.459 295 I N 5.085 125.610 120.570 -0.074 0.000 2.379 295 I HA 0.144 4.314 4.170 -0.001 0.000 0.290 295 I C 0.163 176.221 176.117 -0.098 0.000 1.063 295 I CA -0.284 61.028 61.300 0.020 0.000 1.351 295 I CB 0.653 38.698 38.000 0.074 0.000 1.410 295 I HN 0.714 nan 8.210 nan 0.000 0.505 296 W N 4.755 126.123 121.300 0.113 0.000 2.640 296 W HA 0.217 4.876 4.660 -0.002 0.000 0.271 296 W C 0.191 176.763 176.519 0.087 0.000 1.218 296 W CA 0.165 57.550 57.345 0.067 0.000 1.382 296 W CB 0.158 29.618 29.460 -0.000 0.000 1.067 296 W HN 0.134 nan 8.180 nan 0.000 0.590 297 V N 1.277 121.396 119.914 0.342 0.000 2.577 297 V HA 0.324 4.443 4.120 -0.001 0.000 0.303 297 V C -0.424 175.860 176.094 0.316 0.000 1.042 297 V CA -1.479 61.028 62.300 0.345 0.000 0.872 297 V CB 1.796 33.780 31.823 0.268 0.000 0.998 297 V HN -0.199 nan 8.190 nan 0.000 0.423 298 K N 2.365 122.950 120.400 0.309 0.000 2.207 298 K HA 0.518 4.837 4.320 -0.001 0.000 0.255 298 K C 0.903 177.641 176.600 0.229 0.000 0.941 298 K CA -0.569 55.866 56.287 0.247 0.000 0.825 298 K CB 2.143 34.761 32.500 0.196 0.000 1.119 298 K HN 0.534 nan 8.250 nan 0.000 0.430 299 V N 0.114 120.156 119.914 0.213 0.000 2.913 299 V HA -0.154 3.965 4.120 -0.001 0.000 0.260 299 V C 1.458 177.638 176.094 0.144 0.000 1.098 299 V CA 1.869 64.267 62.300 0.164 0.000 1.121 299 V CB -0.619 31.299 31.823 0.158 0.000 0.714 299 V HN 0.746 nan 8.190 nan 0.000 0.487 300 S N -0.678 115.110 115.700 0.146 0.000 2.527 300 S HA 0.099 4.568 4.470 -0.001 0.000 0.222 300 S C 0.711 175.365 174.600 0.090 0.000 0.985 300 S CA -0.154 58.114 58.200 0.115 0.000 0.921 300 S CB -0.536 62.730 63.200 0.110 0.000 0.772 300 S HN 0.788 nan 8.310 nan 0.000 0.529 301 E N 0.746 121.007 120.200 0.102 0.000 2.392 301 E HA 0.442 4.792 4.350 -0.001 0.000 0.259 301 E C 0.700 177.315 176.600 0.025 0.000 1.108 301 E CA 0.109 56.544 56.400 0.058 0.000 0.916 301 E CB 0.563 30.311 29.700 0.080 0.000 0.989 301 E HN 0.369 nan 8.360 nan 0.000 0.432 302 A N 1.997 124.796 122.820 -0.035 0.000 2.238 302 A HA -0.045 4.274 4.320 -0.001 0.000 0.208 302 A C 0.511 178.047 177.584 -0.080 0.000 1.177 302 A CA 0.520 52.531 52.037 -0.043 0.000 0.804 302 A CB 0.103 19.070 19.000 -0.056 0.000 0.823 302 A HN 0.415 nan 8.150 nan 0.000 0.482 303 D N -0.853 119.458 120.400 -0.148 0.000 2.431 303 D HA 0.029 4.668 4.640 -0.001 0.000 0.213 303 D C 1.847 178.217 176.300 0.117 0.000 1.130 303 D CA 0.899 54.777 54.000 -0.204 0.000 0.834 303 D CB 0.225 40.514 40.800 -0.852 0.000 0.985 303 D HN 0.490 nan 8.370 nan 0.000 0.504 304 S N -0.121 115.681 115.700 0.171 0.000 2.428 304 S HA -0.136 4.333 4.470 -0.001 0.000 0.230 304 S C 1.941 176.713 174.600 0.287 0.000 1.014 304 S CA 1.081 59.454 58.200 0.289 0.000 0.957 304 S CB -0.246 63.083 63.200 0.215 0.000 0.784 304 S HN 0.170 nan 8.310 nan 0.000 0.499 305 S N 1.285 117.101 115.700 0.193 0.000 2.496 305 S HA 0.118 4.588 4.470 -0.001 0.000 0.224 305 S C 0.714 175.435 174.600 0.203 0.000 0.996 305 S CA -0.038 58.272 58.200 0.184 0.000 0.927 305 S CB -0.771 62.491 63.200 0.103 0.000 0.774 305 S HN 0.457 nan 8.310 nan 0.000 0.524 306 N N 2.162 120.975 118.700 0.189 0.000 2.402 306 N HA 0.421 5.160 4.740 -0.001 0.000 0.259 306 N C 0.975 176.590 175.510 0.176 0.000 1.167 306 N CA 0.387 53.538 53.050 0.168 0.000 0.949 306 N CB 0.888 39.465 38.487 0.150 0.000 1.212 306 N HN 0.291 nan 8.380 nan 0.000 0.493 307 A N 3.318 126.203 122.820 0.107 0.000 1.940 307 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 307 A C 1.820 179.379 177.584 -0.042 0.000 1.176 307 A CA 1.716 53.737 52.037 -0.027 0.000 0.631 307 A CB -0.518 18.479 19.000 -0.006 0.000 0.814 307 A HN 0.723 nan 8.150 nan 0.000 0.446 308 D N -1.542 118.880 120.400 0.037 0.000 2.092 308 D HA -0.216 4.423 4.640 -0.001 0.000 0.193 308 D C 1.669 178.012 176.300 0.072 0.000 0.994 308 D CA 1.634 55.657 54.000 0.039 0.000 0.828 308 D CB -0.447 40.393 40.800 0.068 0.000 0.963 308 D HN 0.578 nan 8.370 nan 0.000 0.450 309 W N 0.717 121.997 121.300 -0.034 0.000 2.338 309 W HA -0.174 4.486 4.660 0.001 0.000 0.304 309 W C 2.202 178.700 176.519 -0.034 0.000 1.212 309 W CA 1.779 59.113 57.345 -0.017 0.000 1.264 309 W CB -0.514 28.954 29.460 0.013 0.000 1.142 309 W HN -0.105 nan 8.180 nan 0.000 0.512 310 V N 0.313 120.201 119.914 -0.043 0.000 2.490 310 V HA -0.337 3.782 4.120 -0.001 0.000 0.250 310 V C 2.169 178.066 176.094 -0.329 0.000 1.061 310 V CA 2.385 64.529 62.300 -0.260 0.000 1.064 310 V CB -1.456 30.246 31.823 -0.202 0.000 0.670 310 V HN 0.215 nan 8.190 nan 0.000 0.461 311 T N -0.481 113.918 114.554 -0.259 0.000 2.812 311 T HA -0.143 4.206 4.350 -0.001 0.000 0.264 311 T C 1.930 176.484 174.700 -0.244 0.000 1.042 311 T CA 1.233 63.189 62.100 -0.240 0.000 1.140 311 T CB -0.158 68.603 68.868 -0.177 0.000 0.870 311 T HN 0.482 nan 8.240 nan 0.000 0.445 312 K N 0.801 121.059 120.400 -0.237 0.000 2.097 312 K HA -0.023 4.296 4.320 -0.001 0.000 0.205 312 K C 2.554 178.964 176.600 -0.317 0.000 1.050 312 K CA 0.780 56.933 56.287 -0.224 0.000 0.938 312 K CB -0.032 32.379 32.500 -0.148 0.000 0.718 312 K HN 0.238 nan 8.250 nan 0.000 0.442 313 Q N 0.558 120.070 119.800 -0.481 0.000 2.224 313 Q HA -0.112 4.227 4.340 -0.001 0.000 0.203 313 Q C 2.011 177.719 176.000 -0.487 0.000 0.970 313 Q CA 0.839 56.334 55.803 -0.513 0.000 0.865 313 Q CB -0.143 28.178 28.738 -0.694 0.000 0.922 313 Q HN 0.207 nan 8.270 nan 0.000 0.445 314 L N 1.052 122.033 121.223 -0.404 0.000 2.478 314 L HA -0.004 4.335 4.340 -0.001 0.000 0.223 314 L C 1.048 177.722 176.870 -0.326 0.000 1.140 314 L CA 1.107 55.724 54.840 -0.370 0.000 0.842 314 L CB -0.121 41.756 42.059 -0.302 0.000 0.953 314 L HN 0.035 nan 8.230 nan 0.000 0.452 315 N N -0.666 117.863 118.700 -0.286 0.000 2.432 315 N HA -0.026 4.714 4.740 -0.001 0.000 0.174 315 N C 1.497 176.886 175.510 -0.201 0.000 1.037 315 N CA 0.765 53.689 53.050 -0.211 0.000 0.892 315 N CB 0.034 38.425 38.487 -0.161 0.000 1.049 315 N HN 0.409 nan 8.380 nan 0.000 0.442 316 E N 1.051 121.101 120.200 -0.249 0.000 2.204 316 E HA -0.044 4.305 4.350 -0.001 0.000 0.194 316 E C 0.768 177.206 176.600 -0.269 0.000 0.989 316 E CA 0.181 56.456 56.400 -0.209 0.000 0.824 316 E CB -0.063 29.532 29.700 -0.174 0.000 0.756 316 E HN 0.487 nan 8.360 nan 0.000 0.477 317 I N 0.052 120.333 120.570 -0.482 0.000 2.892 317 I HA 0.144 4.313 4.170 -0.001 0.000 0.287 317 I C 0.009 176.071 176.117 -0.092 0.000 1.205 317 I CA -0.325 60.692 61.300 -0.472 0.000 1.409 317 I CB 0.440 38.037 38.000 -0.672 0.000 1.367 317 I HN -0.174 nan 8.210 nan 0.000 0.597 318 N N 2.552 121.279 118.700 0.045 0.000 2.416 318 N HA 0.202 4.941 4.740 -0.001 0.000 0.276 318 N C -0.224 175.342 175.510 0.093 0.000 1.261 318 N CA -0.750 52.378 53.050 0.130 0.000 0.790 318 N CB 1.211 39.737 38.487 0.064 0.000 1.554 318 N HN 0.700 nan 8.380 nan 0.000 0.481 319 Y N 1.077 121.312 120.300 -0.108 0.000 2.497 319 Y HA 0.071 4.621 4.550 -0.001 0.000 0.292 319 Y C 1.130 176.881 175.900 -0.248 0.000 1.137 319 Y CA 1.505 59.300 58.100 -0.509 0.000 1.285 319 Y CB 0.438 38.627 38.460 -0.451 0.000 0.991 319 Y HN 0.560 nan 8.280 nan 0.000 0.556 320 E N -0.133 120.023 120.200 -0.074 0.000 2.482 320 E HA -0.108 4.241 4.350 -0.001 0.000 0.196 320 E C 1.134 177.652 176.600 -0.138 0.000 1.047 320 E CA 0.658 57.006 56.400 -0.088 0.000 0.869 320 E CB -0.073 29.625 29.700 -0.004 0.000 0.836 320 E HN 0.622 nan 8.360 nan 0.000 0.520 321 D N 0.251 120.557 120.400 -0.155 0.000 2.178 321 D HA -0.105 4.534 4.640 -0.001 0.000 0.202 321 D C 0.646 176.685 176.300 -0.434 0.000 0.974 321 D CA 1.054 54.922 54.000 -0.219 0.000 0.841 321 D CB -0.028 40.699 40.800 -0.122 0.000 0.953 321 D HN 0.333 nan 8.370 nan 0.000 0.478 322 H N -0.287 118.653 119.070 -0.216 0.000 2.474 322 H HA 0.228 4.783 4.556 -0.001 0.000 0.250 322 H C 1.106 176.261 175.328 -0.290 0.000 1.307 322 H CA -0.096 55.821 56.048 -0.218 0.000 1.058 322 H CB 0.846 30.461 29.762 -0.244 0.000 1.693 322 H HN 0.097 nan 8.280 nan 0.000 0.552 323 K N 0.576 120.884 120.400 -0.154 0.000 2.214 323 K HA -0.025 4.294 4.320 -0.001 0.000 0.201 323 K C 1.799 178.365 176.600 -0.056 0.000 1.049 323 K CA 0.084 56.294 56.287 -0.128 0.000 0.978 323 K CB 0.457 32.898 32.500 -0.099 0.000 0.842 323 K HN 0.123 nan 8.250 nan 0.000 0.474 324 L N 1.881 123.082 121.223 -0.038 0.000 2.017 324 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 324 L C 0.078 176.956 176.870 0.014 0.000 1.073 324 L CA 1.900 56.734 54.840 -0.009 0.000 0.745 324 L CB -0.058 41.997 42.059 -0.005 0.000 0.894 324 L HN -0.028 nan 8.230 nan 0.000 0.432 325 K N -0.034 120.387 120.400 0.035 0.000 2.602 325 K HA 0.244 4.564 4.320 -0.001 0.000 0.201 325 K C 0.064 176.681 176.600 0.027 0.000 1.070 325 K CA 0.216 56.540 56.287 0.061 0.000 1.026 325 K CB 0.400 32.995 32.500 0.158 0.000 1.534 325 K HN 0.232 nan 8.250 nan 0.000 0.560 326 S N 0.044 115.735 115.700 -0.015 0.000 4.139 326 S HA 0.215 4.684 4.470 -0.001 0.000 0.215 326 S C 0.566 175.136 174.600 -0.050 0.000 1.390 326 S CA -0.774 57.394 58.200 -0.053 0.000 0.885 326 S CB 0.307 63.471 63.200 -0.061 0.000 1.560 326 S HN 0.461 nan 8.310 nan 0.000 0.449 327 G N 0.618 109.378 108.800 -0.066 0.000 2.552 327 G HA2 0.622 4.581 3.960 -0.001 0.000 0.318 327 G HA3 0.622 4.581 3.960 -0.001 0.000 0.318 327 G C -0.830 174.038 174.900 -0.053 0.000 1.240 327 G CA -0.884 44.175 45.100 -0.069 0.000 1.002 327 G HN 0.415 nan 8.290 nan 0.000 0.493 328 T N 1.060 115.614 114.554 -0.000 0.000 3.133 328 T HA 0.243 4.592 4.350 -0.001 0.000 0.368 328 T C -0.424 174.368 174.700 0.152 0.000 1.190 328 T CA -0.516 61.638 62.100 0.090 0.000 1.282 328 T CB 0.336 69.264 68.868 0.100 0.000 1.042 328 T HN 0.429 nan 8.240 nan 0.000 0.536 329 N N 1.657 120.470 118.700 0.189 0.000 2.976 329 N HA 0.181 4.920 4.740 -0.001 0.000 0.255 329 N C 1.135 176.653 175.510 0.013 0.000 1.312 329 N CA -0.392 52.709 53.050 0.084 0.000 0.897 329 N CB 0.762 39.236 38.487 -0.021 0.000 1.184 329 N HN 0.271 nan 8.380 nan 0.000 0.497 330 T N 0.610 115.155 114.554 -0.016 0.000 2.881 330 T HA -0.144 4.206 4.350 -0.001 0.000 0.270 330 T C 1.660 176.151 174.700 -0.349 0.000 1.068 330 T CA 1.074 62.968 62.100 -0.344 0.000 1.131 330 T CB 0.255 69.048 68.868 -0.126 0.000 0.871 330 T HN 0.481 nan 8.240 nan 0.000 0.479 331 K N 1.376 121.639 120.400 -0.229 0.000 1.991 331 K HA -0.138 4.182 4.320 -0.001 0.000 0.212 331 K C 2.233 178.728 176.600 -0.175 0.000 1.049 331 K CA 1.420 57.590 56.287 -0.195 0.000 0.932 331 K CB -0.078 32.330 32.500 -0.153 0.000 0.717 331 K HN 0.183 nan 8.250 nan 0.000 0.441 332 K N 0.021 120.339 120.400 -0.136 0.000 2.152 332 K HA -0.140 4.179 4.320 -0.001 0.000 0.206 332 K C 2.122 178.655 176.600 -0.111 0.000 1.048 332 K CA 1.093 57.328 56.287 -0.086 0.000 0.933 332 K CB -0.142 32.349 32.500 -0.015 0.000 0.721 332 K HN 0.266 nan 8.250 nan 0.000 0.447 333 A N 1.556 124.228 122.820 -0.247 0.000 1.865 333 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 333 A C 2.105 179.580 177.584 -0.180 0.000 1.191 333 A CA 1.343 53.195 52.037 -0.308 0.000 0.623 333 A CB -0.665 17.760 19.000 -0.959 0.000 0.826 333 A HN 0.170 nan 8.150 nan 0.000 0.444 334 L N -0.886 120.216 121.223 -0.202 0.000 2.141 334 L HA -0.226 4.113 4.340 -0.001 0.000 0.209 334 L C 2.832 179.655 176.870 -0.079 0.000 1.094 334 L CA 1.324 56.088 54.840 -0.126 0.000 0.763 334 L CB -0.641 41.339 42.059 -0.133 0.000 0.908 334 L HN 0.500 nan 8.230 nan 0.000 0.437 335 Q N -0.027 119.721 119.800 -0.087 0.000 2.124 335 Q HA -0.181 4.158 4.340 -0.001 0.000 0.202 335 Q C 2.470 178.482 176.000 0.019 0.000 0.977 335 Q CA 1.504 57.275 55.803 -0.055 0.000 0.850 335 Q CB -0.254 28.429 28.738 -0.092 0.000 0.901 335 Q HN 0.566 nan 8.270 nan 0.000 0.429 336 A N 0.399 123.222 122.820 0.007 0.000 1.933 336 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 336 A C 2.283 179.894 177.584 0.044 0.000 1.175 336 A CA 1.256 53.318 52.037 0.042 0.000 0.628 336 A CB -0.495 18.541 19.000 0.060 0.000 0.814 336 A HN 0.216 nan 8.150 nan 0.000 0.444 337 V N -1.651 118.261 119.914 -0.002 0.000 2.548 337 V HA -0.233 3.886 4.120 -0.001 0.000 0.249 337 V C 2.272 178.270 176.094 -0.160 0.000 1.055 337 V CA 1.774 64.011 62.300 -0.105 0.000 1.065 337 V CB -1.061 30.629 31.823 -0.221 0.000 0.681 337 V HN 0.708 nan 8.190 nan 0.000 0.462 338 Y N 2.225 122.406 120.300 -0.199 0.000 2.181 338 Y HA -0.266 4.283 4.550 -0.001 0.000 0.288 338 Y C 2.798 178.594 175.900 -0.174 0.000 1.146 338 Y CA 1.808 59.780 58.100 -0.213 0.000 1.164 338 Y CB -0.183 38.164 38.460 -0.188 0.000 0.982 338 Y HN 0.385 nan 8.280 nan 0.000 0.515 339 S N -0.573 115.152 115.700 0.042 0.000 2.447 339 S HA -0.181 4.288 4.470 -0.001 0.000 0.233 339 S C 1.767 176.348 174.600 -0.032 0.000 1.006 339 S CA 1.297 59.498 58.200 0.002 0.000 0.957 339 S CB -0.572 62.664 63.200 0.060 0.000 0.773 339 S HN 0.568 nan 8.310 nan 0.000 0.507 340 M N 1.076 120.673 119.600 -0.005 0.000 2.388 340 M HA 0.225 4.704 4.480 -0.001 0.000 0.265 340 M C 2.125 178.482 176.300 0.095 0.000 1.088 340 M CA 1.028 56.386 55.300 0.097 0.000 1.134 340 M CB -0.375 32.364 32.600 0.231 0.000 1.384 340 M HN 0.533 nan 8.290 nan 0.000 0.447 341 M N -1.317 118.236 119.600 -0.077 0.000 2.333 341 M HA 0.307 4.786 4.480 -0.001 0.000 0.257 341 M C 0.686 176.794 176.300 -0.320 0.000 1.078 341 M CA -0.397 54.853 55.300 -0.083 0.000 1.005 341 M CB 0.024 32.490 32.600 -0.224 0.000 1.444 341 M HN -0.015 nan 8.290 nan 0.000 0.496 342 S N 0.560 115.986 115.700 -0.455 0.000 2.632 342 S HA 0.682 5.151 4.470 -0.001 0.000 0.267 342 S C -0.744 173.683 174.600 -0.289 0.000 1.193 342 S CA -0.625 57.143 58.200 -0.721 0.000 1.003 342 S CB 0.209 63.025 63.200 -0.639 0.000 1.073 342 S HN 0.640 nan 8.310 nan 0.000 0.553 343 W N -2.826 118.402 121.300 -0.121 0.000 3.363 343 W HA 0.603 5.263 4.660 -0.001 0.000 0.306 343 W C -2.963 173.520 176.519 -0.059 0.000 1.253 343 W CA -1.937 55.361 57.345 -0.077 0.000 1.195 343 W CB -0.566 28.834 29.460 -0.101 0.000 1.366 343 W HN 0.420 nan 8.180 nan 0.000 0.551 344 P HA -0.093 nan 4.420 nan 0.000 0.211 344 P C -0.226 177.180 177.300 0.176 0.000 1.179 344 P CA 2.195 65.384 63.100 0.148 0.000 0.910 344 P CB 0.065 31.825 31.700 0.100 0.000 0.785 345 D N -1.235 119.260 120.400 0.158 0.000 3.992 345 D HA -0.105 4.534 4.640 -0.001 0.000 0.250 345 D C -0.285 176.041 176.300 0.043 0.000 1.040 345 D CA 0.731 54.789 54.000 0.097 0.000 1.125 345 D CB -1.524 39.400 40.800 0.207 0.000 0.900 345 D HN 0.092 nan 8.370 nan 0.000 0.410 346 D N -0.541 119.866 120.400 0.011 0.000 3.292 346 D HA -0.272 4.367 4.640 -0.001 0.000 0.175 346 D C 0.432 176.691 176.300 -0.068 0.000 1.192 346 D CA 1.101 55.095 54.000 -0.011 0.000 1.026 346 D CB -0.859 39.950 40.800 0.015 0.000 0.538 346 D HN 0.410 nan 8.370 nan 0.000 0.566 347 V N 3.063 122.930 119.914 -0.080 0.000 2.584 347 V HA 0.040 4.159 4.120 -0.001 0.000 0.303 347 V C -1.714 174.084 176.094 -0.494 0.000 1.035 347 V CA 0.037 62.211 62.300 -0.211 0.000 1.172 347 V CB 0.037 31.796 31.823 -0.106 0.000 0.896 347 V HN 0.423 nan 8.190 nan 0.000 0.486 348 P HA -0.170 nan 4.420 nan 0.000 0.065 348 P C -2.489 174.548 177.300 -0.440 0.000 0.725 348 P CA 0.075 62.687 63.100 -0.813 0.000 1.040 348 P CB -0.748 30.692 31.700 -0.435 0.000 1.792 349 P HA 0.161 nan 4.420 nan 0.000 0.279 349 P C -0.187 177.163 177.300 0.084 0.000 1.252 349 P CA -0.241 62.812 63.100 -0.078 0.000 0.811 349 P CB 0.757 32.462 31.700 0.008 0.000 1.035 350 E N 1.582 121.813 120.200 0.053 0.000 1.932 350 E HA 0.298 4.647 4.350 -0.001 0.000 0.275 350 E C 0.526 177.147 176.600 0.035 0.000 1.159 350 E CA 0.034 56.458 56.400 0.040 0.000 0.905 350 E CB -0.905 28.803 29.700 0.013 0.000 1.059 350 E HN 0.786 nan 8.360 nan 0.000 0.400 351 G N 5.675 114.474 108.800 -0.002 0.000 2.151 351 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.156 351 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.156 351 G C 0.618 175.510 174.900 -0.012 0.000 1.017 351 G CA 0.048 45.116 45.100 -0.053 0.000 0.686 351 G HN 0.633 nan 8.290 nan 0.000 0.503 352 W N 1.353 122.624 121.300 -0.049 0.000 2.476 352 W HA 0.023 4.681 4.660 -0.003 0.000 0.281 352 W C 0.992 177.524 176.519 0.023 0.000 1.230 352 W CA 1.194 58.544 57.345 0.008 0.000 1.287 352 W CB -0.693 28.687 29.460 -0.133 0.000 1.108 352 W HN 0.452 nan 8.180 nan 0.000 0.567 353 N N 1.171 119.157 118.700 -1.189 0.000 2.322 353 N HA 0.016 4.756 4.740 -0.001 0.000 0.216 353 N C 0.895 176.051 175.510 -0.590 0.000 1.144 353 N CA -0.037 52.285 53.050 -1.214 0.000 0.830 353 N CB -0.567 36.876 38.487 -1.740 0.000 1.034 353 N HN 0.312 nan 8.380 nan 0.000 0.484 354 R N -1.537 118.815 120.500 -0.246 0.000 2.541 354 R HA 0.193 4.532 4.340 -0.001 0.000 0.332 354 R C -0.457 175.933 176.300 0.150 0.000 0.951 354 R CA -0.111 56.002 56.100 0.022 0.000 1.136 354 R CB 0.713 30.988 30.300 -0.040 0.000 1.449 354 R HN 0.044 nan 8.270 nan 0.000 0.531 355 T N 1.745 116.378 114.554 0.132 0.000 2.767 355 T HA 0.369 4.718 4.350 -0.001 0.000 0.288 355 T C -0.153 174.596 174.700 0.082 0.000 0.963 355 T CA -0.494 61.640 62.100 0.058 0.000 1.019 355 T CB 1.408 70.272 68.868 -0.007 0.000 0.923 355 T HN -0.108 nan 8.240 nan 0.000 0.468 356 R N 1.999 122.481 120.500 -0.029 0.000 2.404 356 R HA 0.516 4.856 4.340 -0.001 0.000 0.291 356 R C -0.656 175.542 176.300 -0.170 0.000 1.025 356 R CA -0.481 55.618 56.100 -0.002 0.000 0.991 356 R CB 0.346 30.621 30.300 -0.041 0.000 1.053 356 R HN 0.652 nan 8.270 nan 0.000 0.479 357 H N -0.056 119.143 119.070 0.215 0.000 2.505 357 H HA 0.452 5.007 4.556 -0.001 0.000 0.338 357 H C -0.978 174.507 175.328 0.261 0.000 1.057 357 H CA -0.703 55.518 56.048 0.288 0.000 1.202 357 H CB 1.556 31.541 29.762 0.371 0.000 1.466 357 H HN 0.144 nan 8.280 nan 0.000 0.499 358 V N 5.549 125.686 119.914 0.371 0.000 2.325 358 V HA 0.244 4.363 4.120 -0.001 0.000 0.280 358 V C -0.108 176.262 176.094 0.460 0.000 1.016 358 V CA -0.482 62.035 62.300 0.363 0.000 0.818 358 V CB 0.559 32.558 31.823 0.294 0.000 1.019 358 V HN 0.686 nan 8.190 nan 0.000 0.434 359 I N 6.080 126.918 120.570 0.447 0.000 2.304 359 I HA 0.447 4.616 4.170 -0.001 0.000 0.291 359 I C -0.371 176.017 176.117 0.452 0.000 1.018 359 I CA -0.106 61.455 61.300 0.434 0.000 1.260 359 I CB 1.039 39.198 38.000 0.265 0.000 1.390 359 I HN 0.416 nan 8.210 nan 0.000 0.475 360 I N 8.082 128.932 120.570 0.466 0.000 2.382 360 I HA 0.420 4.589 4.170 -0.001 0.000 0.286 360 I C -0.527 175.833 176.117 0.405 0.000 1.002 360 I CA -0.693 60.919 61.300 0.520 0.000 1.135 360 I CB 1.500 39.807 38.000 0.512 0.000 1.288 360 I HN 0.446 nan 8.210 nan 0.000 0.448 361 L N 3.610 125.089 121.223 0.425 0.000 2.436 361 L HA 0.747 5.086 4.340 -0.001 0.000 0.268 361 L C -1.246 175.849 176.870 0.374 0.000 0.974 361 L CA -0.917 54.132 54.840 0.347 0.000 0.826 361 L CB 2.014 44.252 42.059 0.297 0.000 1.291 361 L HN 0.398 nan 8.230 nan 0.000 0.406 362 M N 3.103 122.874 119.600 0.285 0.000 2.209 362 M HA 0.700 5.179 4.480 -0.001 0.000 0.355 362 M C 0.025 176.472 176.300 0.245 0.000 1.171 362 M CA 0.297 55.750 55.300 0.254 0.000 1.069 362 M CB 1.626 34.292 32.600 0.111 0.000 1.622 362 M HN 0.807 nan 8.290 nan 0.000 0.459 363 T N 0.227 114.927 114.554 0.243 0.000 2.977 363 T HA 0.272 4.622 4.350 -0.001 0.000 0.345 363 T C -0.346 174.467 174.700 0.190 0.000 1.562 363 T CA -0.720 61.515 62.100 0.225 0.000 1.090 363 T CB 0.786 69.829 68.868 0.292 0.000 1.383 363 T HN 0.797 nan 8.240 nan 0.000 0.484 364 D N 1.357 121.853 120.400 0.159 0.000 2.363 364 D HA 0.201 4.840 4.640 -0.001 0.000 0.220 364 D C 1.646 178.017 176.300 0.118 0.000 0.994 364 D CA 1.217 55.294 54.000 0.129 0.000 0.890 364 D CB -0.502 40.361 40.800 0.106 0.000 0.906 364 D HN 1.331 nan 8.370 nan 0.000 0.530 365 G N 0.302 109.192 108.800 0.150 0.000 2.184 365 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.264 365 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.264 365 G C 0.324 175.247 174.900 0.039 0.000 0.975 365 G CA 0.316 45.504 45.100 0.146 0.000 0.642 365 G HN 0.440 nan 8.290 nan 0.000 0.536 366 L N 2.579 123.819 121.223 0.029 0.000 2.536 366 L HA 0.332 4.672 4.340 -0.001 0.000 0.242 366 L C 1.112 177.961 176.870 -0.034 0.000 1.280 366 L CA -0.845 53.959 54.840 -0.060 0.000 1.221 366 L CB -0.675 41.382 42.059 -0.003 0.000 1.449 366 L HN 0.501 nan 8.230 nan 0.000 0.405 367 H N -0.926 118.186 119.070 0.070 0.000 2.615 367 H HA 0.284 4.840 4.556 -0.001 0.000 0.363 367 H C 0.536 175.887 175.328 0.039 0.000 1.148 367 H CA -0.697 55.390 56.048 0.065 0.000 1.401 367 H CB 0.574 30.374 29.762 0.063 0.000 1.461 367 H HN 0.348 nan 8.280 nan 0.000 0.588 368 N N 1.330 120.126 118.700 0.161 0.000 2.008 368 N HA 0.075 4.814 4.740 -0.001 0.000 0.228 368 N C -0.717 174.840 175.510 0.079 0.000 1.375 368 N CA -0.140 52.965 53.050 0.091 0.000 0.856 368 N CB 0.531 39.041 38.487 0.038 0.000 1.096 368 N HN 0.559 nan 8.380 nan 0.000 0.489 369 M N 0.031 119.677 119.600 0.077 0.000 2.253 369 M HA 0.608 5.087 4.480 -0.001 0.000 0.314 369 M C 0.411 176.716 176.300 0.010 0.000 1.019 369 M CA -0.182 55.132 55.300 0.024 0.000 0.932 369 M CB 2.446 35.034 32.600 -0.019 0.000 1.606 369 M HN 0.293 nan 8.290 nan 0.000 0.430 370 G N 1.411 110.207 108.800 -0.007 0.000 2.339 370 G HA2 0.043 4.002 3.960 -0.001 0.000 0.209 370 G HA3 0.043 4.002 3.960 -0.001 0.000 0.209 370 G C 0.406 175.281 174.900 -0.041 0.000 1.015 370 G CA -0.224 44.855 45.100 -0.036 0.000 0.635 370 G HN 1.504 nan 8.290 nan 0.000 0.499 371 G N 0.150 108.941 108.800 -0.015 0.000 2.501 371 G HA2 0.217 4.176 3.960 -0.001 0.000 0.213 371 G HA3 0.217 4.176 3.960 -0.001 0.000 0.213 371 G C -0.810 174.042 174.900 -0.080 0.000 1.158 371 G CA 0.789 45.884 45.100 -0.008 0.000 1.079 371 G HN 1.397 nan 8.290 nan 0.000 0.586 372 D N 1.981 122.329 120.400 -0.087 0.000 2.380 372 D HA 0.599 5.238 4.640 -0.001 0.000 0.230 372 D C -0.949 175.232 176.300 -0.199 0.000 1.154 372 D CA -1.975 51.943 54.000 -0.137 0.000 0.859 372 D CB 1.466 42.240 40.800 -0.043 0.000 1.045 372 D HN 0.020 nan 8.370 nan 0.000 0.495 373 P HA -0.039 nan 4.420 nan 0.000 0.225 373 P C 1.481 178.687 177.300 -0.157 0.000 1.148 373 P CA 0.623 63.574 63.100 -0.248 0.000 0.779 373 P CB 0.214 31.734 31.700 -0.299 0.000 0.780 374 I N -0.265 120.232 120.570 -0.123 0.000 2.264 374 I HA -0.278 3.891 4.170 -0.001 0.000 0.248 374 I C 2.326 178.392 176.117 -0.084 0.000 1.111 374 I CA 2.117 63.368 61.300 -0.081 0.000 1.382 374 I CB -1.487 36.482 38.000 -0.052 0.000 1.060 374 I HN 0.132 nan 8.210 nan 0.000 0.418 375 T N -1.005 113.493 114.554 -0.093 0.000 2.737 375 T HA -0.148 4.202 4.350 -0.001 0.000 0.269 375 T C 1.775 176.405 174.700 -0.117 0.000 1.040 375 T CA 1.521 63.564 62.100 -0.095 0.000 1.142 375 T CB -0.985 67.825 68.868 -0.097 0.000 0.861 375 T HN 0.197 nan 8.240 nan 0.000 0.456 376 V N 1.654 121.489 119.914 -0.132 0.000 2.379 376 V HA -0.065 4.054 4.120 -0.001 0.000 0.245 376 V C 2.777 178.807 176.094 -0.106 0.000 1.044 376 V CA 1.018 63.227 62.300 -0.152 0.000 1.036 376 V CB -0.671 31.059 31.823 -0.155 0.000 0.664 376 V HN 0.421 nan 8.190 nan 0.000 0.453 377 I N 0.737 121.257 120.570 -0.085 0.000 2.208 377 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 377 I C 2.293 178.380 176.117 -0.049 0.000 1.097 377 I CA 1.809 63.073 61.300 -0.061 0.000 1.363 377 I CB -1.306 36.659 38.000 -0.059 0.000 1.051 377 I HN 0.353 nan 8.210 nan 0.000 0.413 378 D N 0.801 121.166 120.400 -0.058 0.000 2.117 378 D HA -0.176 4.464 4.640 -0.001 0.000 0.197 378 D C 2.126 178.400 176.300 -0.043 0.000 0.987 378 D CA 1.062 55.032 54.000 -0.050 0.000 0.829 378 D CB -0.232 40.535 40.800 -0.056 0.000 0.961 378 D HN 0.470 nan 8.370 nan 0.000 0.460 379 E N 0.139 120.299 120.200 -0.066 0.000 2.153 379 E HA -0.105 4.245 4.350 -0.001 0.000 0.194 379 E C 2.283 178.939 176.600 0.093 0.000 0.988 379 E CA 0.441 56.805 56.400 -0.060 0.000 0.811 379 E CB -0.024 29.525 29.700 -0.251 0.000 0.746 379 E HN 0.350 nan 8.360 nan 0.000 0.466 380 I N 0.774 121.395 120.570 0.085 0.000 2.252 380 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 380 I C 2.423 178.544 176.117 0.007 0.000 1.102 380 I CA 1.016 62.358 61.300 0.069 0.000 1.385 380 I CB -0.236 37.761 38.000 -0.005 0.000 1.064 380 I HN 0.023 nan 8.210 nan 0.000 0.414 381 R N 0.756 121.260 120.500 0.006 0.000 2.081 381 R HA -0.162 4.177 4.340 -0.001 0.000 0.235 381 R C 1.792 178.106 176.300 0.023 0.000 1.131 381 R CA 1.600 57.708 56.100 0.012 0.000 0.960 381 R CB -0.349 29.945 30.300 -0.009 0.000 0.856 381 R HN 0.344 nan 8.270 nan 0.000 0.436 382 D N 0.556 120.964 120.400 0.013 0.000 2.178 382 D HA -0.118 4.521 4.640 -0.001 0.000 0.202 382 D C 1.720 178.060 176.300 0.066 0.000 0.974 382 D CA 0.677 54.688 54.000 0.018 0.000 0.841 382 D CB -0.085 40.717 40.800 0.004 0.000 0.953 382 D HN 0.055 nan 8.370 nan 0.000 0.478 383 L N 0.079 121.321 121.223 0.031 0.000 2.156 383 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 383 L C 1.637 178.537 176.870 0.050 0.000 1.095 383 L CA 1.321 56.112 54.840 -0.082 0.000 0.770 383 L CB -0.130 41.732 42.059 -0.328 0.000 0.914 383 L HN -0.020 nan 8.230 nan 0.000 0.439 384 L N -1.913 119.393 121.223 0.139 0.000 2.592 384 L HA 0.067 4.407 4.340 -0.001 0.000 0.227 384 L C 0.101 177.265 176.870 0.489 0.000 1.127 384 L CA -0.282 54.765 54.840 0.346 0.000 0.884 384 L CB -0.369 41.820 42.059 0.217 0.000 1.065 384 L HN 0.189 nan 8.230 nan 0.000 0.457 385 Y N 1.349 121.781 120.300 0.220 0.000 3.001 385 Y HA -0.254 4.295 4.550 -0.001 0.000 0.187 385 Y C -0.295 175.690 175.900 0.141 0.000 1.462 385 Y CA -0.115 58.103 58.100 0.196 0.000 0.936 385 Y CB -1.272 37.374 38.460 0.309 0.000 1.337 385 Y HN 0.111 nan 8.280 nan 0.000 0.428 386 I N 1.159 121.760 120.570 0.053 0.000 2.441 386 I HA 0.504 4.673 4.170 -0.001 0.000 0.295 386 I C 1.304 177.394 176.117 -0.044 0.000 0.994 386 I CA -0.278 61.051 61.300 0.048 0.000 1.144 386 I CB 1.683 39.740 38.000 0.095 0.000 1.314 386 I HN 0.473 nan 8.210 nan 0.000 0.445 387 G N 4.362 113.146 108.800 -0.027 0.000 2.166 387 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.260 387 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.260 387 G C 0.572 175.406 174.900 -0.109 0.000 0.986 387 G CA 0.223 45.296 45.100 -0.045 0.000 0.683 387 G HN 0.727 nan 8.290 nan 0.000 0.527 388 K N -0.166 120.097 120.400 -0.230 0.000 2.440 388 K HA 0.276 4.595 4.320 -0.001 0.000 0.206 388 K C -0.346 176.113 176.600 -0.235 0.000 1.025 388 K CA -0.041 56.036 56.287 -0.350 0.000 1.135 388 K CB 0.679 32.731 32.500 -0.747 0.000 0.856 388 K HN 0.249 nan 8.250 nan 0.000 0.502 389 D N 0.709 121.068 120.400 -0.069 0.000 2.890 389 D HA 0.065 4.704 4.640 -0.001 0.000 0.233 389 D C 0.736 177.060 176.300 0.040 0.000 1.306 389 D CA -0.516 53.516 54.000 0.052 0.000 0.929 389 D CB 1.115 42.028 40.800 0.189 0.000 1.512 389 D HN 0.071 nan 8.370 nan 0.000 0.568 390 R N 3.130 123.648 120.500 0.030 0.000 2.152 390 R HA -0.072 4.267 4.340 -0.001 0.000 0.232 390 R C 1.364 177.679 176.300 0.025 0.000 1.117 390 R CA 0.938 57.048 56.100 0.017 0.000 0.981 390 R CB 0.138 30.442 30.300 0.007 0.000 0.870 390 R HN 0.221 nan 8.270 nan 0.000 0.451 391 K N 0.316 120.741 120.400 0.041 0.000 2.308 391 K HA 0.006 4.325 4.320 -0.001 0.000 0.197 391 K C -0.023 176.613 176.600 0.060 0.000 1.049 391 K CA 0.326 56.638 56.287 0.042 0.000 0.991 391 K CB 0.401 32.925 32.500 0.041 0.000 0.836 391 K HN 0.048 nan 8.250 nan 0.000 0.500 392 N N 0.833 119.583 118.700 0.083 0.000 2.762 392 N HA 0.223 4.962 4.740 -0.001 0.000 0.252 392 N C -2.480 173.101 175.510 0.119 0.000 1.269 392 N CA -2.121 50.992 53.050 0.106 0.000 0.799 392 N CB 1.619 40.176 38.487 0.117 0.000 1.173 392 N HN -0.130 nan 8.380 nan 0.000 0.516 393 P HA -0.071 nan 4.420 nan 0.000 0.215 393 P C -0.329 177.050 177.300 0.132 0.000 1.153 393 P CA 0.989 64.141 63.100 0.087 0.000 0.853 393 P CB 0.189 31.931 31.700 0.070 0.000 0.788 394 R N -1.773 118.844 120.500 0.195 0.000 3.651 394 R HA -0.175 4.164 4.340 -0.001 0.000 0.292 394 R C 0.652 177.148 176.300 0.327 0.000 1.161 394 R CA 0.287 56.593 56.100 0.344 0.000 0.787 394 R CB -1.935 28.503 30.300 0.229 0.000 1.249 394 R HN 0.313 nan 8.270 nan 0.000 0.476 395 E N 0.327 120.634 120.200 0.179 0.000 2.347 395 E HA -0.129 4.220 4.350 -0.001 0.000 0.196 395 E C 1.146 177.795 176.600 0.081 0.000 1.008 395 E CA 0.853 57.318 56.400 0.108 0.000 0.852 395 E CB -0.006 29.724 29.700 0.050 0.000 0.783 395 E HN 0.346 nan 8.360 nan 0.000 0.505 396 D N -0.725 119.703 120.400 0.046 0.000 2.349 396 D HA -0.100 4.540 4.640 -0.001 0.000 0.224 396 D C 0.294 176.473 176.300 -0.203 0.000 1.029 396 D CA 0.298 54.228 54.000 -0.116 0.000 0.879 396 D CB -0.056 40.604 40.800 -0.233 0.000 0.906 396 D HN 0.163 nan 8.370 nan 0.000 0.528 397 Y N -0.357 119.989 120.300 0.076 0.000 2.571 397 Y HA 0.369 4.918 4.550 -0.002 0.000 0.275 397 Y C -0.168 175.841 175.900 0.182 0.000 1.179 397 Y CA -0.472 57.702 58.100 0.124 0.000 1.242 397 Y CB 0.647 39.197 38.460 0.149 0.000 1.126 397 Y HN -0.120 nan 8.280 nan 0.000 0.524 398 L N 0.743 122.093 121.223 0.211 0.000 2.710 398 L HA 0.465 4.804 4.340 -0.001 0.000 0.262 398 L C -2.145 174.754 176.870 0.050 0.000 0.940 398 L CA -0.561 54.382 54.840 0.172 0.000 0.944 398 L CB 1.425 43.570 42.059 0.143 0.000 1.348 398 L HN -0.160 nan 8.230 nan 0.000 0.425 399 D N 3.636 124.069 120.400 0.055 0.000 2.649 399 D HA 0.680 5.319 4.640 -0.001 0.000 0.249 399 D C -1.008 175.223 176.300 -0.115 0.000 1.112 399 D CA 0.015 53.952 54.000 -0.105 0.000 0.850 399 D CB 2.935 43.726 40.800 -0.015 0.000 1.399 399 D HN 0.232 nan 8.370 nan 0.000 0.503 400 V N 3.340 123.066 119.914 -0.312 0.000 2.325 400 V HA 0.287 4.406 4.120 -0.001 0.000 0.280 400 V C -1.012 175.017 176.094 -0.108 0.000 1.016 400 V CA -0.741 61.489 62.300 -0.116 0.000 0.818 400 V CB 0.134 31.904 31.823 -0.088 0.000 1.019 400 V HN 0.396 nan 8.190 nan 0.000 0.434 401 Y N 3.231 123.739 120.300 0.347 0.000 2.320 401 Y HA 0.657 5.206 4.550 -0.002 0.000 0.334 401 Y C 0.208 176.303 175.900 0.325 0.000 1.055 401 Y CA -0.765 57.592 58.100 0.427 0.000 1.143 401 Y CB 1.761 40.654 38.460 0.722 0.000 1.193 401 Y HN 0.356 nan 8.280 nan 0.000 0.477 402 V N 4.559 124.624 119.914 0.251 0.000 2.604 402 V HA 0.483 4.602 4.120 -0.001 0.000 0.305 402 V C -0.941 175.140 176.094 -0.022 0.000 1.043 402 V CA -1.205 61.212 62.300 0.195 0.000 0.888 402 V CB 1.574 33.478 31.823 0.134 0.000 0.995 402 V HN 0.478 nan 8.190 nan 0.000 0.429 403 F N 1.458 121.588 119.950 0.300 0.000 2.539 403 F HA 0.681 5.207 4.527 -0.001 0.000 0.318 403 F C 0.775 176.685 175.800 0.182 0.000 1.135 403 F CA -0.623 57.532 58.000 0.259 0.000 0.915 403 F CB 2.004 41.114 39.000 0.184 0.000 1.176 403 F HN 0.589 nan 8.300 nan 0.000 0.440 404 G N 1.377 110.362 108.800 0.309 0.000 2.349 404 G HA2 0.466 4.425 3.960 -0.001 0.000 0.281 404 G HA3 0.466 4.425 3.960 -0.001 0.000 0.281 404 G C 0.509 175.526 174.900 0.196 0.000 1.182 404 G CA -0.207 45.023 45.100 0.218 0.000 0.899 404 G HN 0.704 nan 8.290 nan 0.000 0.455 405 V N 1.147 121.156 119.914 0.159 0.000 3.090 405 V HA 0.455 4.574 4.120 -0.001 0.000 0.237 405 V C 1.422 177.576 176.094 0.100 0.000 1.209 405 V CA 0.754 63.123 62.300 0.115 0.000 1.209 405 V CB -0.887 30.992 31.823 0.093 0.000 0.971 405 V HN 0.742 nan 8.190 nan 0.000 0.477 406 G N 1.555 110.421 108.800 0.109 0.000 2.554 406 G HA2 0.355 4.314 3.960 -0.001 0.000 0.238 406 G HA3 0.355 4.314 3.960 -0.001 0.000 0.238 406 G C -1.312 173.641 174.900 0.088 0.000 1.259 406 G CA 0.053 45.211 45.100 0.096 0.000 0.843 406 G HN 0.338 nan 8.290 nan 0.000 0.582 407 P HA -0.067 nan 4.420 nan 0.000 0.214 407 P C 0.474 177.826 177.300 0.088 0.000 1.163 407 P CA 0.851 63.998 63.100 0.078 0.000 0.889 407 P CB 0.125 31.869 31.700 0.073 0.000 0.790 408 L N -0.081 121.193 121.223 0.085 0.000 2.259 408 L HA 0.291 4.631 4.340 -0.001 0.000 0.288 408 L C -0.050 176.866 176.870 0.077 0.000 1.051 408 L CA -0.421 54.468 54.840 0.082 0.000 0.824 408 L CB 0.449 42.552 42.059 0.074 0.000 1.206 408 L HN -0.180 nan 8.230 nan 0.000 0.429 409 V N 5.303 125.266 119.914 0.082 0.000 2.384 409 V HA 0.425 4.544 4.120 -0.001 0.000 0.287 409 V C 0.073 176.205 176.094 0.064 0.000 1.020 409 V CA -0.640 61.709 62.300 0.082 0.000 0.850 409 V CB 1.859 33.742 31.823 0.100 0.000 0.987 409 V HN 0.804 nan 8.190 nan 0.000 0.436 410 N N 5.158 123.888 118.700 0.051 0.000 2.482 410 N HA 0.229 4.968 4.740 -0.001 0.000 0.242 410 N C 0.963 176.496 175.510 0.040 0.000 1.100 410 N CA 0.237 53.307 53.050 0.034 0.000 0.946 410 N CB 1.103 39.593 38.487 0.006 0.000 1.227 410 N HN 0.783 nan 8.380 nan 0.000 0.508 411 Q N 1.641 121.461 119.800 0.032 0.000 2.291 411 Q HA -0.107 4.232 4.340 -0.001 0.000 0.206 411 Q C 1.433 177.442 176.000 0.015 0.000 0.976 411 Q CA 1.071 56.887 55.803 0.021 0.000 0.875 411 Q CB 0.230 28.970 28.738 0.003 0.000 0.927 411 Q HN 0.479 nan 8.270 nan 0.000 0.450 412 V N 1.604 121.529 119.914 0.018 0.000 2.295 412 V HA -0.272 3.847 4.120 -0.001 0.000 0.246 412 V C 1.649 177.762 176.094 0.033 0.000 1.049 412 V CA 1.953 64.265 62.300 0.019 0.000 1.024 412 V CB -0.521 31.314 31.823 0.021 0.000 0.648 412 V HN 0.396 nan 8.190 nan 0.000 0.447 413 N N 0.700 119.430 118.700 0.052 0.000 2.135 413 N HA -0.050 4.689 4.740 -0.001 0.000 0.186 413 N C 1.850 177.413 175.510 0.087 0.000 1.027 413 N CA 1.786 54.893 53.050 0.095 0.000 0.849 413 N CB -0.537 38.034 38.487 0.141 0.000 1.002 413 N HN 0.686 nan 8.380 nan 0.000 0.425 414 I N -1.196 119.421 120.570 0.079 0.000 2.700 414 I HA -0.110 4.059 4.170 -0.001 0.000 0.261 414 I C 1.765 177.902 176.117 0.032 0.000 1.219 414 I CA 1.453 62.798 61.300 0.075 0.000 1.463 414 I CB -0.266 37.783 38.000 0.082 0.000 1.092 414 I HN -0.071 nan 8.210 nan 0.000 0.452 415 N N 2.143 120.850 118.700 0.012 0.000 2.336 415 N HA 0.025 4.764 4.740 -0.001 0.000 0.177 415 N C 1.887 177.384 175.510 -0.021 0.000 1.018 415 N CA 1.549 54.587 53.050 -0.020 0.000 0.878 415 N CB -0.091 38.377 38.487 -0.031 0.000 0.997 415 N HN 0.421 nan 8.380 nan 0.000 0.433 416 A N 0.438 123.258 122.820 -0.001 0.000 2.019 416 A HA 0.016 4.335 4.320 -0.001 0.000 0.219 416 A C 2.184 179.757 177.584 -0.018 0.000 1.164 416 A CA 0.854 52.887 52.037 -0.006 0.000 0.644 416 A CB -0.502 18.507 19.000 0.014 0.000 0.805 416 A HN 0.360 nan 8.150 nan 0.000 0.449 417 L N -0.992 120.227 121.223 -0.006 0.000 2.145 417 L HA 0.150 4.490 4.340 -0.001 0.000 0.201 417 L C 1.712 178.558 176.870 -0.040 0.000 1.075 417 L CA 0.234 55.065 54.840 -0.015 0.000 0.773 417 L CB -0.654 41.415 42.059 0.016 0.000 0.936 417 L HN 0.353 nan 8.230 nan 0.000 0.451 418 A N 0.381 123.179 122.820 -0.037 0.000 2.520 418 A HA 0.196 4.515 4.320 -0.001 0.000 0.235 418 A C 0.537 178.009 177.584 -0.187 0.000 1.065 418 A CA -0.033 51.955 52.037 -0.082 0.000 0.764 418 A CB 0.082 19.060 19.000 -0.037 0.000 1.002 418 A HN 0.248 nan 8.150 nan 0.000 0.502 419 S N 0.512 115.966 115.700 -0.408 0.000 2.593 419 S HA 0.373 4.842 4.470 -0.001 0.000 0.269 419 S C -0.146 174.192 174.600 -0.438 0.000 1.334 419 S CA -0.136 57.748 58.200 -0.527 0.000 1.015 419 S CB 0.598 63.311 63.200 -0.810 0.000 0.912 419 S HN 0.509 nan 8.310 nan 0.000 0.541 420 K N 2.101 122.355 120.400 -0.244 0.000 2.530 420 K HA 0.349 4.668 4.320 -0.001 0.000 0.230 420 K C -0.723 175.851 176.600 -0.044 0.000 1.002 420 K CA -0.120 56.111 56.287 -0.093 0.000 1.014 420 K CB 0.935 33.393 32.500 -0.070 0.000 1.286 420 K HN 0.324 nan 8.250 nan 0.000 0.480 421 K N 0.987 121.414 120.400 0.044 0.000 2.203 421 K HA 0.229 4.548 4.320 -0.001 0.000 0.251 421 K C -0.702 175.924 176.600 0.043 0.000 0.944 421 K CA -1.153 55.170 56.287 0.060 0.000 0.829 421 K CB 1.501 34.079 32.500 0.130 0.000 1.125 421 K HN 0.399 nan 8.250 nan 0.000 0.430 422 D N 1.962 122.376 120.400 0.023 0.000 2.487 422 D HA -0.081 4.558 4.640 -0.001 0.000 0.243 422 D C 0.460 176.754 176.300 -0.010 0.000 1.154 422 D CA 1.033 55.037 54.000 0.007 0.000 0.876 422 D CB 0.240 41.050 40.800 0.017 0.000 1.161 422 D HN 0.577 nan 8.370 nan 0.000 0.478 423 N N 2.106 120.790 118.700 -0.027 0.000 2.714 423 N HA -0.238 4.501 4.740 -0.001 0.000 0.250 423 N C -1.247 174.240 175.510 -0.039 0.000 1.117 423 N CA 1.061 54.088 53.050 -0.038 0.000 0.719 423 N CB -0.728 37.736 38.487 -0.038 0.000 1.081 423 N HN 0.694 nan 8.380 nan 0.000 0.557 424 E N 0.056 120.234 120.200 -0.036 0.000 2.314 424 E HA 0.285 4.634 4.350 -0.001 0.000 0.272 424 E C -0.771 175.758 176.600 -0.118 0.000 0.884 424 E CA -0.626 55.730 56.400 -0.073 0.000 0.753 424 E CB 1.947 31.615 29.700 -0.053 0.000 1.213 424 E HN 0.223 nan 8.360 nan 0.000 0.432 425 Q N 2.325 122.011 119.800 -0.190 0.000 2.316 425 Q HA 0.262 4.601 4.340 -0.001 0.000 0.264 425 Q C -0.260 175.476 176.000 -0.440 0.000 0.987 425 Q CA -0.363 55.278 55.803 -0.270 0.000 0.852 425 Q CB 0.816 29.405 28.738 -0.249 0.000 1.287 425 Q HN 0.704 nan 8.270 nan 0.000 0.448 426 H N 1.787 120.672 119.070 -0.309 0.000 3.255 426 H HA 0.205 4.760 4.556 -0.001 0.000 0.256 426 H C -0.300 174.766 175.328 -0.437 0.000 1.049 426 H CA 0.229 56.174 56.048 -0.172 0.000 1.202 426 H CB 1.327 30.969 29.762 -0.201 0.000 1.497 426 H HN 0.269 nan 8.280 nan 0.000 0.503 427 V N 2.648 122.220 119.914 -0.571 0.000 2.407 427 V HA 0.218 4.338 4.120 -0.001 0.000 0.278 427 V C -0.656 174.954 176.094 -0.806 0.000 1.037 427 V CA -0.095 61.915 62.300 -0.483 0.000 0.900 427 V CB 0.659 32.333 31.823 -0.249 0.000 0.983 427 V HN 0.040 nan 8.190 nan 0.000 0.459 428 F N 3.335 123.190 119.950 -0.158 0.000 2.556 428 F HA 0.626 5.153 4.527 -0.001 0.000 0.314 428 F C 0.005 175.828 175.800 0.038 0.000 1.106 428 F CA -0.870 57.080 58.000 -0.082 0.000 0.911 428 F CB 2.113 41.001 39.000 -0.186 0.000 1.190 428 F HN 0.302 nan 8.300 nan 0.000 0.448 429 K N 3.638 124.201 120.400 0.271 0.000 2.764 429 K HA 0.494 4.813 4.320 -0.001 0.000 0.239 429 K C -1.112 175.643 176.600 0.258 0.000 1.048 429 K CA -0.459 55.968 56.287 0.233 0.000 1.057 429 K CB 1.149 33.742 32.500 0.156 0.000 1.251 429 K HN 0.599 nan 8.250 nan 0.000 0.524 430 V N 0.453 120.520 119.914 0.254 0.000 3.319 430 V HA 0.174 4.293 4.120 -0.001 0.000 0.303 430 V C 1.608 177.780 176.094 0.130 0.000 1.094 430 V CA -0.218 62.206 62.300 0.207 0.000 1.106 430 V CB 1.247 33.166 31.823 0.160 0.000 1.099 430 V HN 0.837 nan 8.190 nan 0.000 0.476 431 K N 0.784 121.180 120.400 -0.006 0.000 1.973 431 K HA -0.111 4.208 4.320 -0.001 0.000 0.212 431 K C 0.548 177.115 176.600 -0.056 0.000 1.047 431 K CA 1.972 58.147 56.287 -0.186 0.000 0.937 431 K CB -0.088 32.163 32.500 -0.414 0.000 0.721 431 K HN 1.102 nan 8.250 nan 0.000 0.440 432 D N -1.920 118.460 120.400 -0.034 0.000 2.636 432 D HA 0.024 4.663 4.640 -0.001 0.000 0.275 432 D C 0.674 176.981 176.300 0.012 0.000 1.130 432 D CA -0.638 53.360 54.000 -0.004 0.000 1.031 432 D CB 0.392 41.182 40.800 -0.018 0.000 1.451 432 D HN 0.015 nan 8.370 nan 0.000 0.505 433 M N 0.190 119.794 119.600 0.007 0.000 2.159 433 M HA -0.062 4.417 4.480 -0.001 0.000 0.263 433 M C 1.687 177.987 176.300 -0.001 0.000 1.063 433 M CA 1.890 57.188 55.300 -0.004 0.000 1.110 433 M CB -0.726 31.863 32.600 -0.019 0.000 1.374 433 M HN 0.653 nan 8.290 nan 0.000 0.411 434 E N -0.478 119.725 120.200 0.006 0.000 2.118 434 E HA -0.250 4.099 4.350 -0.001 0.000 0.195 434 E C 1.463 178.090 176.600 0.046 0.000 0.992 434 E CA 1.604 58.017 56.400 0.023 0.000 0.804 434 E CB -0.072 29.633 29.700 0.007 0.000 0.741 434 E HN 0.571 nan 8.360 nan 0.000 0.458 435 N N 0.527 119.246 118.700 0.032 0.000 2.216 435 N HA -0.133 4.606 4.740 -0.001 0.000 0.183 435 N C 1.729 177.280 175.510 0.069 0.000 1.017 435 N CA 0.534 53.612 53.050 0.048 0.000 0.861 435 N CB -0.349 38.155 38.487 0.027 0.000 0.986 435 N HN 0.179 nan 8.380 nan 0.000 0.428 436 L N 1.791 123.046 121.223 0.053 0.000 2.131 436 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 436 L C 1.736 178.629 176.870 0.038 0.000 1.092 436 L CA 1.648 56.517 54.840 0.048 0.000 0.759 436 L CB -0.427 41.632 42.059 -0.002 0.000 0.903 436 L HN 0.162 nan 8.230 nan 0.000 0.435 437 E N -0.711 119.501 120.200 0.020 0.000 2.047 437 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 437 E C 1.707 178.395 176.600 0.146 0.000 0.987 437 E CA 1.213 57.607 56.400 -0.011 0.000 0.799 437 E CB -0.185 29.594 29.700 0.132 0.000 0.752 437 E HN 0.511 nan 8.360 nan 0.000 0.449 438 D N 0.597 121.175 120.400 0.297 0.000 2.221 438 D HA -0.133 4.506 4.640 -0.001 0.000 0.204 438 D C 1.972 178.376 176.300 0.174 0.000 0.982 438 D CA 0.606 54.803 54.000 0.327 0.000 0.857 438 D CB -0.217 40.679 40.800 0.160 0.000 0.934 438 D HN 0.020 nan 8.370 nan 0.000 0.475 439 V N 0.119 120.091 119.914 0.096 0.000 2.407 439 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 439 V C 1.765 177.731 176.094 -0.212 0.000 1.055 439 V CA 1.336 63.601 62.300 -0.058 0.000 1.049 439 V CB -0.445 31.313 31.823 -0.108 0.000 0.662 439 V HN 0.116 nan 8.190 nan 0.000 0.455 440 F N -2.426 117.378 119.950 -0.243 0.000 2.746 440 F HA 0.197 4.724 4.527 -0.002 0.000 0.297 440 F C 1.897 177.543 175.800 -0.257 0.000 1.113 440 F CA -0.116 57.705 58.000 -0.298 0.000 1.367 440 F CB -0.403 38.343 39.000 -0.424 0.000 1.111 440 F HN 0.100 nan 8.300 nan 0.000 0.590 441 Y N 0.092 120.427 120.300 0.058 0.000 2.243 441 Y HA -0.159 4.391 4.550 -0.001 0.000 0.293 441 Y C 2.591 178.483 175.900 -0.015 0.000 1.124 441 Y CA 1.348 59.455 58.100 0.011 0.000 1.159 441 Y CB -0.798 37.662 38.460 -0.001 0.000 1.008 441 Y HN 0.085 nan 8.280 nan 0.000 0.527 442 Q N -0.123 119.752 119.800 0.126 0.000 2.224 442 Q HA -0.182 4.158 4.340 -0.001 0.000 0.203 442 Q C 1.879 177.884 176.000 0.008 0.000 0.970 442 Q CA 1.271 57.104 55.803 0.050 0.000 0.865 442 Q CB -0.071 28.682 28.738 0.024 0.000 0.922 442 Q HN 0.499 nan 8.270 nan 0.000 0.445 443 M N -0.203 119.382 119.600 -0.026 0.000 2.098 443 M HA -0.133 4.346 4.480 -0.001 0.000 0.262 443 M C 2.108 178.385 176.300 -0.037 0.000 1.072 443 M CA 1.265 56.539 55.300 -0.043 0.000 1.133 443 M CB -0.237 32.307 32.600 -0.093 0.000 1.344 443 M HN 0.229 nan 8.290 nan 0.000 0.414 444 I N 0.574 121.131 120.570 -0.023 0.000 2.248 444 I HA -0.335 3.835 4.170 -0.001 0.000 0.248 444 I C 1.684 177.779 176.117 -0.037 0.000 1.107 444 I CA 1.218 62.496 61.300 -0.035 0.000 1.373 444 I CB -0.728 37.274 38.000 0.002 0.000 1.055 444 I HN 0.314 nan 8.210 nan 0.000 0.418 445 D N 0.337 120.733 120.400 -0.007 0.000 2.120 445 D HA -0.074 4.565 4.640 -0.001 0.000 0.202 445 D C 1.147 177.435 176.300 -0.020 0.000 0.972 445 D CA 0.583 54.578 54.000 -0.009 0.000 0.837 445 D CB -0.214 40.591 40.800 0.009 0.000 0.989 445 D HN 0.363 nan 8.370 nan 0.000 0.469 446 E N 0.727 120.918 120.200 -0.015 0.000 2.373 446 E HA 0.160 4.509 4.350 -0.001 0.000 0.267 446 E C -0.631 175.958 176.600 -0.019 0.000 1.032 446 E CA -0.102 56.293 56.400 -0.008 0.000 0.889 446 E CB 0.494 30.197 29.700 0.005 0.000 0.984 446 E HN -0.025 nan 8.360 nan 0.000 0.425 447 S N 3.905 119.604 115.700 -0.000 0.000 2.158 447 S HA 0.208 4.677 4.470 -0.001 0.000 0.160 447 S C -0.389 174.250 174.600 0.064 0.000 1.693 447 S CA -0.917 57.291 58.200 0.014 0.000 1.251 447 S CB 0.700 63.893 63.200 -0.011 0.000 1.153 447 S HN 0.531 nan 8.310 nan 0.000 0.439 448 Q N 2.175 122.035 119.800 0.100 0.000 2.369 448 Q HA 0.141 4.480 4.340 -0.001 0.000 0.295 448 Q C 0.313 176.358 176.000 0.075 0.000 1.075 448 Q CA 0.271 56.120 55.803 0.077 0.000 0.941 448 Q CB 0.364 29.145 28.738 0.072 0.000 1.260 448 Q HN 0.863 nan 8.270 nan 0.000 0.417 449 S N 2.259 117.979 115.700 0.033 0.000 2.498 449 S HA 0.177 4.647 4.470 -0.001 0.000 0.281 449 S C -0.128 174.474 174.600 0.004 0.000 1.265 449 S CA -0.443 57.767 58.200 0.018 0.000 1.071 449 S CB 0.113 63.309 63.200 -0.008 0.000 0.894 449 S HN 0.460 nan 8.310 nan 0.000 0.491 450 L N 3.793 125.024 121.223 0.014 0.000 2.321 450 L HA 0.358 4.698 4.340 -0.001 0.000 0.272 450 L C -0.047 176.808 176.870 -0.025 0.000 1.050 450 L CA -0.287 54.543 54.840 -0.017 0.000 0.893 450 L CB 0.535 42.590 42.059 -0.008 0.000 1.272 450 L HN 0.664 nan 8.230 nan 0.000 0.435 451 S N 3.149 118.821 115.700 -0.047 0.000 2.532 451 S HA 0.600 5.069 4.470 -0.001 0.000 0.301 451 S C 0.009 174.563 174.600 -0.077 0.000 1.083 451 S CA -0.569 57.596 58.200 -0.059 0.000 1.025 451 S CB 2.189 65.348 63.200 -0.069 0.000 1.056 451 S HN 0.414 nan 8.310 nan 0.000 0.494 452 L N 2.401 123.567 121.223 -0.094 0.000 2.719 452 L HA 0.319 4.658 4.340 -0.001 0.000 0.236 452 L C -0.128 176.678 176.870 -0.107 0.000 1.221 452 L CA -0.611 54.173 54.840 -0.093 0.000 1.048 452 L CB -0.173 41.834 42.059 -0.088 0.000 1.364 452 L HN 0.747 nan 8.230 nan 0.000 0.447 453 c N -1.307 117.236 118.600 -0.096 0.000 2.463 453 c HA 0.741 5.310 4.570 -0.001 0.000 0.380 453 c C 1.572 175.634 174.090 -0.047 0.000 1.264 453 c CA -0.171 56.105 56.329 -0.089 0.000 2.161 453 c CB 0.336 42.782 42.510 -0.106 0.000 2.515 453 c HN 0.988 nan 8.230 nan 0.000 0.565 454 G N 3.532 112.317 108.800 -0.025 0.000 2.305 454 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.287 454 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.287 454 G C -0.134 174.887 174.900 0.200 0.000 1.036 454 G CA 0.493 45.596 45.100 0.006 0.000 0.887 454 G HN 0.819 nan 8.290 nan 0.000 0.505 455 M N -0.672 119.037 119.600 0.182 0.000 2.423 455 M HA 0.593 5.072 4.480 -0.001 0.000 0.335 455 M C 0.180 176.621 176.300 0.235 0.000 1.177 455 M CA -0.911 54.501 55.300 0.187 0.000 1.038 455 M CB 1.839 34.475 32.600 0.060 0.000 1.641 455 M HN -0.081 nan 8.290 nan 0.000 0.455 456 V N 1.679 121.728 119.914 0.224 0.000 2.495 456 V HA 0.663 4.783 4.120 -0.001 0.000 0.298 456 V C 0.078 176.209 176.094 0.061 0.000 1.031 456 V CA -0.455 61.932 62.300 0.146 0.000 0.871 456 V CB 1.327 33.286 31.823 0.228 0.000 0.988 456 V HN 0.916 nan 8.190 nan 0.000 0.432 457 W N 1.094 122.396 121.300 0.004 0.000 2.298 457 W HA 0.757 5.416 4.660 -0.001 0.000 0.358 457 W C 0.484 176.976 176.519 -0.045 0.000 1.241 457 W CA -0.670 56.665 57.345 -0.017 0.000 1.385 457 W CB -0.043 29.404 29.460 -0.023 0.000 1.225 457 W HN 0.986 nan 8.180 nan 0.000 0.654 458 E N 0.788 120.959 120.200 -0.049 0.000 2.608 458 E HA 0.485 4.834 4.350 -0.001 0.000 0.259 458 E C 0.750 177.263 176.600 -0.144 0.000 0.951 458 E CA 1.828 58.181 56.400 -0.078 0.000 0.945 458 E CB -1.474 28.189 29.700 -0.063 0.000 0.916 458 E HN 2.928 nan 8.360 nan 0.000 0.477 465 Y N 0.298 120.600 120.300 0.003 0.000 2.402 465 Y HA 0.498 5.047 4.550 -0.002 0.000 0.325 465 Y C -1.072 174.848 175.900 0.034 0.000 1.009 465 Y CA -0.434 57.666 58.100 -0.001 0.000 1.278 465 Y CB 1.294 39.741 38.460 -0.021 0.000 1.105 465 Y HN 0.269 nan 8.280 nan 0.000 0.476 466 H N 2.431 121.437 119.070 -0.106 0.000 2.750 466 H HA 0.361 4.916 4.556 -0.001 0.000 0.261 466 H C -0.589 174.599 175.328 -0.234 0.000 1.387 466 H CA -0.512 55.452 56.048 -0.141 0.000 1.557 466 H CB 0.519 30.206 29.762 -0.125 0.000 1.756 466 H HN 0.535 nan 8.280 nan 0.000 0.580 467 K N 2.478 122.650 120.400 -0.379 0.000 2.577 467 K HA 0.129 4.448 4.320 -0.001 0.000 0.210 467 K C -0.327 175.852 176.600 -0.702 0.000 1.048 467 K CA 0.002 56.055 56.287 -0.390 0.000 1.188 467 K CB 0.518 32.869 32.500 -0.248 0.000 0.910 467 K HN 0.393 nan 8.250 nan 0.000 0.483 468 Q N -0.470 118.739 119.800 -0.986 0.000 3.300 468 Q HA 0.156 4.495 4.340 -0.001 0.000 0.271 468 Q C -2.360 172.899 176.000 -1.234 0.000 0.926 468 Q CA -1.538 53.319 55.803 -1.577 0.000 0.788 468 Q CB 1.253 29.263 28.738 -1.214 0.000 1.385 468 Q HN -0.050 nan 8.270 nan 0.000 0.424 469 P HA -0.178 nan 4.420 nan 0.000 0.216 469 P C 0.673 177.862 177.300 -0.184 0.000 1.153 469 P CA 1.040 63.981 63.100 -0.264 0.000 0.848 469 P CB -0.036 31.609 31.700 -0.091 0.000 0.787 470 W N -0.003 121.272 121.300 -0.041 0.000 2.374 470 W HA -0.026 4.633 4.660 -0.001 0.000 0.288 470 W C 0.748 177.274 176.519 0.012 0.000 1.218 470 W CA 0.001 57.337 57.345 -0.015 0.000 1.245 470 W CB -2.035 27.399 29.460 -0.043 0.000 1.126 470 W HN -0.118 nan 8.180 nan 0.000 0.545 471 Q N 2.167 121.736 119.800 -0.385 0.000 2.304 471 Q HA 0.344 4.683 4.340 -0.001 0.000 0.301 471 Q C -0.519 175.488 176.000 0.012 0.000 1.063 471 Q CA 1.006 56.731 55.803 -0.130 0.000 0.947 471 Q CB 0.729 29.272 28.738 -0.324 0.000 1.201 471 Q HN 0.319 nan 8.270 nan 0.000 0.389 472 A N 4.276 127.145 122.820 0.082 0.000 2.475 472 A HA 0.632 4.952 4.320 -0.001 0.000 0.301 472 A C -1.350 176.285 177.584 0.085 0.000 1.059 472 A CA -0.812 51.276 52.037 0.086 0.000 0.710 472 A CB 1.469 20.535 19.000 0.110 0.000 1.288 472 A HN 0.664 nan 8.150 nan 0.000 0.408 473 K N 2.642 123.086 120.400 0.073 0.000 2.339 473 K HA 0.659 4.978 4.320 -0.001 0.000 0.264 473 K C -1.377 175.270 176.600 0.077 0.000 0.986 473 K CA -0.329 56.001 56.287 0.071 0.000 0.866 473 K CB 0.663 33.197 32.500 0.058 0.000 1.103 473 K HN 0.674 nan 8.250 nan 0.000 0.441 474 I N 2.350 122.970 120.570 0.083 0.000 2.412 474 I HA 0.282 4.451 4.170 -0.001 0.000 0.296 474 I C -0.417 175.738 176.117 0.063 0.000 0.987 474 I CA -0.720 60.639 61.300 0.098 0.000 1.180 474 I CB 2.092 40.179 38.000 0.146 0.000 1.340 474 I HN 0.510 nan 8.210 nan 0.000 0.455 475 S N 4.378 120.125 115.700 0.079 0.000 2.571 475 S HA 0.549 5.018 4.470 -0.001 0.000 0.284 475 S C -0.717 173.929 174.600 0.075 0.000 1.128 475 S CA -0.605 57.634 58.200 0.065 0.000 0.970 475 S CB 2.284 65.531 63.200 0.077 0.000 1.039 475 S HN 0.281 nan 8.310 nan 0.000 0.485 476 V N 3.989 123.929 119.914 0.043 0.000 2.376 476 V HA 0.444 4.564 4.120 -0.001 0.000 0.287 476 V C -0.123 176.002 176.094 0.052 0.000 1.015 476 V CA -0.653 61.680 62.300 0.056 0.000 0.834 476 V CB 1.370 33.207 31.823 0.023 0.000 1.001 476 V HN 0.904 nan 8.190 nan 0.000 0.428 477 I N 6.170 126.779 120.570 0.065 0.000 2.441 477 I HA 0.468 4.637 4.170 -0.001 0.000 0.287 477 I C 0.146 176.297 176.117 0.056 0.000 1.049 477 I CA 0.060 61.404 61.300 0.073 0.000 1.381 477 I CB 0.233 38.280 38.000 0.078 0.000 1.409 477 I HN 0.649 nan 8.210 nan 0.000 0.523 478 R N 6.235 126.770 120.500 0.059 0.000 2.867 478 R HA 0.547 4.887 4.340 -0.001 0.000 0.268 478 R C -2.585 173.749 176.300 0.057 0.000 1.014 478 R CA -1.821 54.308 56.100 0.048 0.000 0.946 478 R CB 1.155 31.473 30.300 0.030 0.000 1.208 478 R HN 0.410 nan 8.270 nan 0.000 0.477 479 P HA -0.170 nan 4.420 nan 0.000 0.267 479 P C 0.385 177.717 177.300 0.052 0.000 1.195 479 P CA 0.901 64.032 63.100 0.052 0.000 0.773 479 P CB 0.606 32.334 31.700 0.045 0.000 0.837 480 S N -0.360 115.370 115.700 0.051 0.000 1.637 480 S HA -0.337 4.133 4.470 -0.001 0.000 0.232 480 S C 1.185 175.826 174.600 0.068 0.000 0.808 480 S CA 1.951 60.182 58.200 0.052 0.000 1.437 480 S CB -1.449 61.778 63.200 0.046 0.000 1.838 480 S HN 0.586 nan 8.310 nan 0.000 0.525 481 K N 0.017 120.470 120.400 0.088 0.000 3.037 481 K HA 0.419 4.738 4.320 -0.001 0.000 0.267 481 K C 1.775 178.478 176.600 0.171 0.000 2.485 481 K CA 1.632 58.007 56.287 0.147 0.000 1.453 481 K CB -0.433 32.178 32.500 0.185 0.000 2.739 481 K HN 1.452 nan 8.250 nan 0.000 0.418 482 G N 1.693 110.552 108.800 0.098 0.000 5.206 482 G HA2 -0.453 3.506 3.960 -0.001 0.000 0.328 482 G HA3 -0.453 3.506 3.960 -0.001 0.000 0.328 482 G C -0.081 174.659 174.900 -0.267 0.000 1.382 482 G CA 2.366 47.438 45.100 -0.047 0.000 0.994 482 G HN 1.247 nan 8.290 nan 0.000 0.800 483 H N 0.229 119.312 119.070 0.023 0.000 2.557 483 H HA -0.053 4.502 4.556 -0.001 0.000 0.319 483 H C 0.284 175.618 175.328 0.009 0.000 1.102 483 H CA 1.785 57.844 56.048 0.019 0.000 1.126 483 H CB -1.952 27.823 29.762 0.022 0.000 1.498 483 H HN 1.064 nan 8.280 nan 0.000 0.411 484 E N 1.107 121.223 120.200 -0.140 0.000 2.729 484 E HA 0.048 4.398 4.350 -0.001 0.000 0.246 484 E C -0.259 176.296 176.600 -0.076 0.000 0.984 484 E CA 0.697 57.009 56.400 -0.147 0.000 0.951 484 E CB 0.378 29.990 29.700 -0.146 0.000 0.914 484 E HN 0.486 nan 8.360 nan 0.000 0.509 485 S N 4.766 120.440 115.700 -0.044 0.000 2.474 485 S HA 0.434 4.903 4.470 -0.001 0.000 0.320 485 S C -0.790 173.804 174.600 -0.010 0.000 1.067 485 S CA -0.769 57.442 58.200 0.017 0.000 1.127 485 S CB -0.304 62.948 63.200 0.087 0.000 0.971 485 S HN 0.594 nan 8.310 nan 0.000 0.472 486 c N 4.572 123.151 118.600 -0.036 0.000 3.119 486 c HA 0.730 5.300 4.570 -0.001 0.000 0.359 486 c C -0.301 173.805 174.090 0.027 0.000 1.486 486 c CA -0.863 55.444 56.329 -0.036 0.000 1.556 486 c CB 1.634 44.047 42.510 -0.161 0.000 2.063 486 c HN 0.802 nan 8.230 nan 0.000 0.454 487 M N 0.351 119.985 119.600 0.057 0.000 2.593 487 M HA 0.617 5.096 4.480 -0.001 0.000 0.290 487 M C -0.006 176.369 176.300 0.126 0.000 1.244 487 M CA -0.039 55.319 55.300 0.097 0.000 0.857 487 M CB 2.364 35.030 32.600 0.110 0.000 1.738 487 M HN 0.932 nan 8.290 nan 0.000 0.461 488 G N 0.569 109.455 108.800 0.144 0.000 3.222 488 G HA2 0.942 4.901 3.960 -0.001 0.000 0.263 488 G HA3 0.942 4.901 3.960 -0.001 0.000 0.263 488 G C -2.039 172.973 174.900 0.185 0.000 1.312 488 G CA -0.687 44.512 45.100 0.164 0.000 0.934 488 G HN 0.867 nan 8.290 nan 0.000 0.577 489 A N -0.804 122.130 122.820 0.190 0.000 2.480 489 A HA 0.575 4.894 4.320 -0.001 0.000 0.289 489 A C -0.789 176.916 177.584 0.202 0.000 1.044 489 A CA -0.409 51.766 52.037 0.230 0.000 0.761 489 A CB 1.393 20.526 19.000 0.222 0.000 1.289 489 A HN 1.191 nan 8.150 nan 0.000 0.401 490 V N 3.584 123.628 119.914 0.217 0.000 2.458 490 V HA 0.134 4.254 4.120 -0.001 0.000 0.287 490 V C 1.457 177.661 176.094 0.183 0.000 1.009 490 V CA 1.054 63.473 62.300 0.198 0.000 1.091 490 V CB 0.718 32.665 31.823 0.206 0.000 0.960 490 V HN 1.281 nan 8.190 nan 0.000 0.476 491 V N 1.756 121.776 119.914 0.177 0.000 3.604 491 V HA 0.410 4.529 4.120 -0.001 0.000 0.277 491 V C 0.591 176.783 176.094 0.163 0.000 1.399 491 V CA 0.811 63.194 62.300 0.138 0.000 1.034 491 V CB 0.096 31.993 31.823 0.124 0.000 0.824 491 V HN 0.867 nan 8.190 nan 0.000 0.439 492 S N -0.611 115.232 115.700 0.239 0.000 2.800 492 S HA 0.421 4.890 4.470 -0.001 0.000 0.293 492 S C 0.052 174.839 174.600 0.312 0.000 1.209 492 S CA -0.118 58.258 58.200 0.294 0.000 0.884 492 S CB 1.314 64.718 63.200 0.340 0.000 1.244 492 S HN 0.145 nan 8.310 nan 0.000 0.540 493 E N -0.476 119.877 120.200 0.256 0.000 2.502 493 E HA 0.183 4.533 4.350 -0.001 0.000 0.194 493 E C -0.174 176.198 176.600 -0.381 0.000 1.062 493 E CA 0.593 56.943 56.400 -0.084 0.000 0.867 493 E CB -0.074 29.539 29.700 -0.144 0.000 0.888 493 E HN 0.597 nan 8.360 nan 0.000 0.510 494 Y N -2.113 118.200 120.300 0.021 0.000 2.713 494 Y HA 0.168 4.717 4.550 -0.001 0.000 0.265 494 Y C 0.331 176.092 175.900 -0.231 0.000 1.177 494 Y CA -0.525 57.477 58.100 -0.163 0.000 1.144 494 Y CB 0.549 38.824 38.460 -0.308 0.000 1.360 494 Y HN -0.138 nan 8.280 nan 0.000 0.491 495 F N 0.795 120.841 119.950 0.160 0.000 2.375 495 F HA 0.519 5.046 4.527 -0.001 0.000 0.333 495 F C -0.105 175.737 175.800 0.071 0.000 1.104 495 F CA -0.894 57.151 58.000 0.076 0.000 1.149 495 F CB 1.067 40.086 39.000 0.032 0.000 1.190 495 F HN -0.463 nan 8.300 nan 0.000 0.533 496 V N 4.629 124.680 119.914 0.229 0.000 2.445 496 V HA 0.188 4.307 4.120 -0.001 0.000 0.283 496 V C -0.599 175.597 176.094 0.170 0.000 1.014 496 V CA -0.780 61.624 62.300 0.174 0.000 0.852 496 V CB 1.352 33.249 31.823 0.124 0.000 1.021 496 V HN 0.537 nan 8.190 nan 0.000 0.435 497 L N 4.804 126.131 121.223 0.173 0.000 2.490 497 L HA 0.627 4.966 4.340 -0.001 0.000 0.274 497 L C 0.291 177.266 176.870 0.175 0.000 1.201 497 L CA 1.742 56.686 54.840 0.174 0.000 0.869 497 L CB 1.030 43.183 42.059 0.156 0.000 1.123 497 L HN 0.877 nan 8.230 nan 0.000 0.484 498 T N 3.016 117.683 114.554 0.188 0.000 2.693 498 T HA 0.710 5.059 4.350 -0.001 0.000 0.304 498 T C -0.779 174.035 174.700 0.191 0.000 1.471 498 T CA -0.132 62.082 62.100 0.191 0.000 0.993 498 T CB 0.488 69.493 68.868 0.227 0.000 1.554 498 T HN 1.010 nan 8.240 nan 0.000 0.496 499 A N 0.311 123.231 122.820 0.166 0.000 2.346 499 A HA 0.703 5.022 4.320 -0.001 0.000 0.255 499 A C 1.326 179.010 177.584 0.167 0.000 1.113 499 A CA 0.594 52.720 52.037 0.148 0.000 0.798 499 A CB -0.392 18.630 19.000 0.036 0.000 1.073 499 A HN 1.392 nan 8.150 nan 0.000 0.502 500 A N -1.232 121.681 122.820 0.154 0.000 2.192 500 A HA 0.145 4.464 4.320 -0.001 0.000 0.208 500 A C 1.573 179.265 177.584 0.179 0.000 1.220 500 A CA 0.786 52.891 52.037 0.114 0.000 0.900 500 A CB -0.536 18.258 19.000 -0.344 0.000 0.937 500 A HN 1.013 nan 8.150 nan 0.000 0.487 501 H N -1.412 117.806 119.070 0.247 0.000 2.547 501 H HA 0.002 4.557 4.556 -0.001 0.000 0.272 501 H C 1.363 176.787 175.328 0.162 0.000 0.989 501 H CA 1.214 57.456 56.048 0.323 0.000 1.214 501 H CB -0.715 29.339 29.762 0.487 0.000 1.389 501 H HN 0.361 nan 8.280 nan 0.000 0.577 502 c N 0.775 119.108 118.600 -0.445 0.000 2.472 502 c HA 0.170 4.739 4.570 -0.001 0.000 0.278 502 c C 0.415 174.069 174.090 -0.728 0.000 1.447 502 c CA 0.004 55.941 56.329 -0.653 0.000 1.773 502 c CB -1.600 40.362 42.510 -0.913 0.000 1.793 502 c HN 0.302 nan 8.230 nan 0.000 0.544 503 F N -1.153 118.875 119.950 0.131 0.000 2.640 503 F HA 0.597 5.123 4.527 -0.002 0.000 0.324 503 F C 0.198 176.111 175.800 0.188 0.000 1.077 503 F CA -0.614 57.513 58.000 0.213 0.000 0.965 503 F CB 1.033 40.249 39.000 0.360 0.000 1.351 503 F HN -0.314 nan 8.300 nan 0.000 0.487 504 T N -0.872 113.880 114.554 0.331 0.000 2.864 504 T HA 0.399 4.748 4.350 -0.001 0.000 0.299 504 T C 0.395 175.128 174.700 0.055 0.000 1.166 504 T CA -0.507 61.656 62.100 0.104 0.000 1.007 504 T CB 1.554 70.472 68.868 0.084 0.000 1.219 504 T HN 0.314 nan 8.240 nan 0.000 0.506 505 V N 2.102 121.986 119.914 -0.050 0.000 2.594 505 V HA -0.074 4.045 4.120 -0.001 0.000 0.253 505 V C 1.982 178.097 176.094 0.036 0.000 1.069 505 V CA 1.996 64.280 62.300 -0.026 0.000 1.082 505 V CB -0.535 31.259 31.823 -0.048 0.000 0.680 505 V HN 0.765 nan 8.190 nan 0.000 0.469 506 D N -0.463 119.962 120.400 0.041 0.000 2.149 506 D HA -0.048 4.591 4.640 -0.001 0.000 0.201 506 D C 0.679 177.013 176.300 0.056 0.000 0.972 506 D CA 0.694 54.722 54.000 0.047 0.000 0.835 506 D CB -0.349 40.475 40.800 0.040 0.000 0.966 506 D HN 0.402 nan 8.370 nan 0.000 0.476 507 D N 2.059 122.506 120.400 0.078 0.000 2.434 507 D HA 0.021 4.660 4.640 -0.001 0.000 0.252 507 D C 0.912 177.237 176.300 0.041 0.000 1.185 507 D CA 0.395 54.438 54.000 0.070 0.000 0.886 507 D CB 0.862 41.754 40.800 0.153 0.000 1.148 507 D HN -0.071 nan 8.370 nan 0.000 0.483 508 K N 2.306 122.664 120.400 -0.070 0.000 2.488 508 K HA 0.154 4.473 4.320 -0.001 0.000 0.255 508 K C 1.023 177.553 176.600 -0.116 0.000 1.036 508 K CA -0.401 55.828 56.287 -0.096 0.000 0.990 508 K CB 0.403 32.804 32.500 -0.165 0.000 1.304 508 K HN 0.176 nan 8.250 nan 0.000 0.505 509 E N 0.033 120.198 120.200 -0.059 0.000 2.318 509 E HA -0.070 4.280 4.350 -0.001 0.000 0.193 509 E C 1.483 178.080 176.600 -0.006 0.000 0.998 509 E CA 0.809 57.197 56.400 -0.019 0.000 0.859 509 E CB -0.238 29.475 29.700 0.023 0.000 0.812 509 E HN 0.590 nan 8.360 nan 0.000 0.492 510 H N -1.400 117.695 119.070 0.042 0.000 2.547 510 H HA 0.161 4.717 4.556 -0.001 0.000 0.272 510 H C 1.341 176.699 175.328 0.051 0.000 0.989 510 H CA 1.142 57.214 56.048 0.039 0.000 1.214 510 H CB -0.017 29.765 29.762 0.033 0.000 1.389 510 H HN 0.066 nan 8.280 nan 0.000 0.577 511 S N 0.168 115.674 115.700 -0.323 0.000 2.557 511 S HA 0.262 4.731 4.470 -0.001 0.000 0.223 511 S C 0.285 174.882 174.600 -0.006 0.000 0.969 511 S CA -0.620 57.496 58.200 -0.140 0.000 0.927 511 S CB -0.173 62.894 63.200 -0.222 0.000 0.806 511 S HN 0.319 nan 8.310 nan 0.000 0.489 512 I N 2.335 122.917 120.570 0.019 0.000 2.382 512 I HA 0.481 4.651 4.170 -0.001 0.000 0.286 512 I C -0.740 175.427 176.117 0.083 0.000 1.002 512 I CA -0.664 60.695 61.300 0.099 0.000 1.135 512 I CB 1.558 39.639 38.000 0.136 0.000 1.288 512 I HN -0.089 nan 8.210 nan 0.000 0.448 513 K N 5.948 126.405 120.400 0.095 0.000 2.270 513 K HA 0.687 5.006 4.320 -0.001 0.000 0.255 513 K C -0.988 175.661 176.600 0.083 0.000 0.936 513 K CA -0.790 55.541 56.287 0.073 0.000 0.809 513 K CB 3.053 35.589 32.500 0.061 0.000 1.131 513 K HN 0.247 nan 8.250 nan 0.000 0.427 514 V N 0.995 120.947 119.914 0.063 0.000 2.487 514 V HA 0.393 4.512 4.120 -0.001 0.000 0.298 514 V C -0.289 175.830 176.094 0.042 0.000 1.028 514 V CA -0.756 61.584 62.300 0.065 0.000 0.860 514 V CB 1.888 33.750 31.823 0.064 0.000 0.991 514 V HN 0.772 nan 8.190 nan 0.000 0.427 515 S N 3.917 119.643 115.700 0.043 0.000 2.502 515 S HA 0.853 5.322 4.470 -0.001 0.000 0.304 515 S C -0.748 173.868 174.600 0.027 0.000 1.097 515 S CA -0.470 57.746 58.200 0.026 0.000 1.045 515 S CB 1.417 64.631 63.200 0.022 0.000 1.019 515 S HN 1.036 nan 8.310 nan 0.000 0.481 516 V N 1.724 121.645 119.914 0.011 0.000 3.040 516 V HA 0.948 5.067 4.120 -0.001 0.000 0.312 516 V C 0.975 177.055 176.094 -0.023 0.000 1.115 516 V CA -0.137 62.171 62.300 0.014 0.000 0.998 516 V CB 0.700 32.539 31.823 0.028 0.000 1.042 516 V HN 1.562 nan 8.190 nan 0.000 0.433 517 G N 0.473 109.254 108.800 -0.032 0.000 2.166 517 G HA2 0.071 4.030 3.960 -0.001 0.000 0.260 517 G HA3 0.071 4.030 3.960 -0.001 0.000 0.260 517 G C 1.584 176.319 174.900 -0.275 0.000 0.986 517 G CA 0.991 45.997 45.100 -0.157 0.000 0.683 517 G HN 2.907 nan 8.290 nan 0.000 0.527 518 G N -1.026 107.683 108.800 -0.151 0.000 2.155 518 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.257 518 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.257 518 G C 0.161 175.006 174.900 -0.092 0.000 0.983 518 G CA 0.971 45.997 45.100 -0.123 0.000 0.676 518 G HN 1.077 nan 8.290 nan 0.000 0.528 519 E N -0.170 119.983 120.200 -0.078 0.000 2.392 519 E HA 0.230 4.579 4.350 -0.001 0.000 0.264 519 E C 1.317 177.897 176.600 -0.034 0.000 1.024 519 E CA 0.216 56.582 56.400 -0.057 0.000 0.903 519 E CB 0.845 30.515 29.700 -0.050 0.000 0.963 519 E HN 0.351 nan 8.360 nan 0.000 0.432 520 K N 3.557 123.940 120.400 -0.030 0.000 2.155 520 K HA -0.109 4.210 4.320 -0.001 0.000 0.203 520 K C 0.849 177.443 176.600 -0.010 0.000 1.052 520 K CA 0.643 56.919 56.287 -0.018 0.000 0.948 520 K CB 0.180 32.670 32.500 -0.017 0.000 0.728 520 K HN 0.434 nan 8.250 nan 0.000 0.448 521 R N 0.651 121.143 120.500 -0.013 0.000 2.649 521 R HA 0.128 4.467 4.340 -0.001 0.000 0.270 521 R C -0.970 175.328 176.300 -0.002 0.000 1.105 521 R CA -0.384 55.711 56.100 -0.007 0.000 1.193 521 R CB 0.363 30.656 30.300 -0.012 0.000 1.120 521 R HN -0.138 nan 8.270 nan 0.000 0.561 522 D N 1.037 121.440 120.400 0.005 0.000 2.375 522 D HA 0.302 4.942 4.640 -0.001 0.000 0.247 522 D C -0.435 175.870 176.300 0.007 0.000 1.061 522 D CA -0.490 53.517 54.000 0.012 0.000 0.834 522 D CB 1.610 42.425 40.800 0.025 0.000 1.247 522 D HN 0.364 nan 8.370 nan 0.000 0.489 523 L N 1.621 122.847 121.223 0.004 0.000 2.349 523 L HA 0.231 4.570 4.340 -0.001 0.000 0.275 523 L C 0.866 177.738 176.870 0.002 0.000 1.115 523 L CA -0.397 54.440 54.840 -0.006 0.000 0.820 523 L CB 0.574 42.623 42.059 -0.018 0.000 1.135 523 L HN 0.152 nan 8.230 nan 0.000 0.445 524 E N 3.967 124.167 120.200 -0.001 0.000 2.259 524 E HA 0.263 4.612 4.350 -0.001 0.000 0.281 524 E C -0.214 176.382 176.600 -0.007 0.000 1.037 524 E CA -0.354 56.050 56.400 0.006 0.000 0.854 524 E CB 1.334 31.040 29.700 0.011 0.000 1.051 524 E HN 0.438 nan 8.360 nan 0.000 0.409 525 I N -0.668 119.896 120.570 -0.010 0.000 2.970 525 I HA 0.227 4.396 4.170 -0.001 0.000 0.310 525 I C 0.871 176.966 176.117 -0.037 0.000 1.010 525 I CA -0.376 60.902 61.300 -0.037 0.000 1.228 525 I CB 1.243 39.209 38.000 -0.057 0.000 1.433 525 I HN 0.601 nan 8.210 nan 0.000 0.573 526 E N 1.862 122.024 120.200 -0.064 0.000 2.207 526 E HA 0.239 4.588 4.350 -0.001 0.000 0.197 526 E C -0.437 176.130 176.600 -0.054 0.000 0.914 526 E CA 0.216 56.583 56.400 -0.056 0.000 0.914 526 E CB 1.324 30.976 29.700 -0.079 0.000 0.893 526 E HN 0.521 nan 8.360 nan 0.000 0.479 527 V N 1.175 121.040 119.914 -0.083 0.000 2.950 527 V HA 0.291 4.410 4.120 -0.001 0.000 0.295 527 V C -1.679 174.345 176.094 -0.118 0.000 1.297 527 V CA -0.812 61.447 62.300 -0.068 0.000 0.962 527 V CB 2.050 33.857 31.823 -0.027 0.000 1.081 527 V HN -0.014 nan 8.190 nan 0.000 0.432 528 V N 7.647 127.459 119.914 -0.170 0.000 2.348 528 V HA 0.440 4.559 4.120 -0.001 0.000 0.270 528 V C 0.139 176.039 176.094 -0.322 0.000 1.037 528 V CA -0.367 61.713 62.300 -0.367 0.000 0.872 528 V CB 1.204 32.619 31.823 -0.679 0.000 1.002 528 V HN 0.684 nan 8.190 nan 0.000 0.464 529 L N 6.262 127.377 121.223 -0.180 0.000 2.261 529 L HA 0.478 4.817 4.340 -0.001 0.000 0.289 529 L C -0.325 176.578 176.870 0.054 0.000 1.059 529 L CA 0.007 54.879 54.840 0.054 0.000 0.816 529 L CB 0.269 42.454 42.059 0.209 0.000 1.191 529 L HN 0.439 nan 8.230 nan 0.000 0.431 530 F N 1.393 121.437 119.950 0.157 0.000 2.370 530 F HA 0.264 4.790 4.527 -0.001 0.000 0.324 530 F C 1.067 176.810 175.800 -0.094 0.000 1.116 530 F CA -0.425 57.585 58.000 0.016 0.000 1.123 530 F CB 0.426 39.405 39.000 -0.034 0.000 1.238 530 F HN 0.397 nan 8.300 nan 0.000 0.536 531 H N 3.310 122.194 119.070 -0.310 0.000 2.803 531 H HA 0.089 4.644 4.556 -0.001 0.000 0.330 531 H C -1.792 173.390 175.328 -0.243 0.000 1.057 531 H CA -1.416 54.196 56.048 -0.727 0.000 1.458 531 H CB 1.528 30.861 29.762 -0.714 0.000 1.470 531 H HN 0.261 nan 8.280 nan 0.000 0.560 532 P HA -0.106 nan 4.420 nan 0.000 0.221 532 P C 0.228 177.463 177.300 -0.107 0.000 1.145 532 P CA 1.112 64.067 63.100 -0.242 0.000 0.795 532 P CB 0.385 31.905 31.700 -0.299 0.000 0.775 533 N N -2.667 116.035 118.700 0.003 0.000 2.214 533 N HA 0.034 4.773 4.740 -0.001 0.000 0.214 533 N C -0.347 175.273 175.510 0.183 0.000 1.132 533 N CA -0.295 52.772 53.050 0.029 0.000 0.856 533 N CB -0.468 37.818 38.487 -0.334 0.000 1.020 533 N HN 0.210 nan 8.380 nan 0.000 0.509 534 Y N 1.715 122.092 120.300 0.128 0.000 2.436 534 Y HA 0.365 4.914 4.550 -0.001 0.000 0.343 534 Y C -0.317 175.640 175.900 0.096 0.000 1.008 534 Y CA -0.377 57.803 58.100 0.133 0.000 1.241 534 Y CB 0.292 38.836 38.460 0.140 0.000 1.153 534 Y HN -0.097 nan 8.280 nan 0.000 0.521 535 N N 7.193 125.655 118.700 -0.396 0.000 2.685 535 N HA 0.072 4.811 4.740 -0.001 0.000 0.252 535 N C 0.011 175.325 175.510 -0.328 0.000 1.261 535 N CA -0.298 52.565 53.050 -0.312 0.000 0.768 535 N CB 0.279 38.718 38.487 -0.079 0.000 1.304 535 N HN 0.932 nan 8.380 nan 0.000 0.536 536 I N 1.314 121.538 120.570 -0.577 0.000 2.614 536 I HA -0.032 4.137 4.170 -0.001 0.000 0.258 536 I C -0.117 175.874 176.117 -0.209 0.000 1.189 536 I CA 0.951 62.019 61.300 -0.387 0.000 1.462 536 I CB 0.322 38.108 38.000 -0.357 0.000 1.092 536 I HN 0.266 nan 8.210 nan 0.000 0.442 537 N N 1.054 119.646 118.700 -0.179 0.000 2.380 537 N HA 0.208 4.947 4.740 -0.001 0.000 0.255 537 N C 0.578 175.996 175.510 -0.154 0.000 1.158 537 N CA 0.206 53.166 53.050 -0.149 0.000 0.878 537 N CB 0.857 39.275 38.487 -0.115 0.000 1.138 537 N HN 0.288 nan 8.380 nan 0.000 0.509 538 G N -0.265 108.425 108.800 -0.183 0.000 3.707 538 G HA2 0.078 4.037 3.960 -0.001 0.000 0.286 538 G HA3 0.078 4.037 3.960 -0.001 0.000 0.286 538 G C 0.895 175.582 174.900 -0.354 0.000 1.112 538 G CA -0.163 44.803 45.100 -0.222 0.000 0.861 538 G HN -0.055 nan 8.290 nan 0.000 0.534 539 K N -0.046 120.156 120.400 -0.331 0.000 2.603 539 K HA 0.156 4.475 4.320 -0.001 0.000 0.202 539 K C 1.452 177.905 176.600 -0.244 0.000 1.279 539 K CA -0.217 55.853 56.287 -0.362 0.000 1.056 539 K CB 0.547 32.745 32.500 -0.503 0.000 1.062 539 K HN 0.188 nan 8.250 nan 0.000 0.606 540 K N 1.163 121.445 120.400 -0.198 0.000 2.209 540 K HA -0.139 4.180 4.320 -0.001 0.000 0.204 540 K C 1.694 178.211 176.600 -0.139 0.000 1.048 540 K CA 1.119 57.310 56.287 -0.160 0.000 0.940 540 K CB 0.255 32.676 32.500 -0.132 0.000 0.729 540 K HN 0.233 nan 8.250 nan 0.000 0.451 541 E N 1.000 121.118 120.200 -0.137 0.000 2.077 541 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 541 E C 1.509 178.042 176.600 -0.112 0.000 0.989 541 E CA 1.009 57.341 56.400 -0.113 0.000 0.800 541 E CB 0.023 29.658 29.700 -0.108 0.000 0.746 541 E HN 0.302 nan 8.360 nan 0.000 0.452 542 A N -0.140 122.600 122.820 -0.134 0.000 2.238 542 A HA 0.274 4.594 4.320 -0.001 0.000 0.208 542 A C 1.457 178.966 177.584 -0.124 0.000 1.177 542 A CA 0.802 52.766 52.037 -0.122 0.000 0.804 542 A CB -0.267 18.653 19.000 -0.134 0.000 0.823 542 A HN 0.452 nan 8.150 nan 0.000 0.482 543 G N -0.608 108.110 108.800 -0.136 0.000 2.149 543 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.235 543 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.235 543 G C -0.054 174.732 174.900 -0.190 0.000 1.018 543 G CA 0.222 45.237 45.100 -0.140 0.000 0.728 543 G HN 0.549 nan 8.290 nan 0.000 0.508 544 I N 0.340 120.777 120.570 -0.222 0.000 2.388 544 I HA 0.228 4.398 4.170 -0.001 0.000 0.281 544 I C -1.164 174.771 176.117 -0.303 0.000 1.046 544 I CA -2.474 58.642 61.300 -0.307 0.000 1.187 544 I CB 1.724 39.565 38.000 -0.265 0.000 1.351 544 I HN -0.144 nan 8.210 nan 0.000 0.472 545 P HA -0.115 nan 4.420 nan 0.000 0.215 545 P C 0.014 177.154 177.300 -0.266 0.000 1.157 545 P CA 1.446 64.393 63.100 -0.255 0.000 0.868 545 P CB 0.243 31.803 31.700 -0.234 0.000 0.788 546 E N -0.970 119.021 120.200 -0.348 0.000 2.191 546 E HA 0.430 4.779 4.350 -0.001 0.000 0.274 546 E C -0.995 175.469 176.600 -0.227 0.000 0.948 546 E CA -0.663 55.526 56.400 -0.351 0.000 0.802 546 E CB 1.429 30.974 29.700 -0.257 0.000 1.137 546 E HN -0.037 nan 8.360 nan 0.000 0.397 547 F N 2.326 121.943 119.950 -0.555 0.000 3.228 547 F HA 0.212 4.738 4.527 -0.001 0.000 0.390 547 F C -1.088 174.519 175.800 -0.321 0.000 1.235 547 F CA -0.558 57.241 58.000 -0.336 0.000 1.236 547 F CB 0.289 39.147 39.000 -0.237 0.000 1.855 547 F HN 0.340 nan 8.300 nan 0.000 0.647 548 Y N 1.507 121.621 120.300 -0.310 0.000 2.627 548 Y HA 0.151 4.701 4.550 -0.001 0.000 0.339 548 Y C 0.755 176.681 175.900 0.044 0.000 1.137 548 Y CA -0.459 57.628 58.100 -0.021 0.000 1.361 548 Y CB -0.551 38.006 38.460 0.161 0.000 1.180 548 Y HN 0.369 nan 8.280 nan 0.000 0.512 549 D N -0.272 119.914 120.400 -0.358 0.000 2.390 549 D HA -0.058 4.582 4.640 -0.001 0.000 0.249 549 D C -0.275 175.974 176.300 -0.085 0.000 1.144 549 D CA 0.188 53.970 54.000 -0.364 0.000 0.880 549 D CB 0.229 40.633 40.800 -0.659 0.000 1.182 549 D HN 0.271 nan 8.370 nan 0.000 0.451 550 Y N 1.050 121.187 120.300 -0.272 0.000 3.078 550 Y HA -0.245 4.304 4.550 -0.001 0.000 0.202 550 Y C 0.317 176.176 175.900 -0.068 0.000 1.322 550 Y CA 0.541 58.437 58.100 -0.341 0.000 1.118 550 Y CB -1.452 36.686 38.460 -0.537 0.000 1.343 550 Y HN 0.422 nan 8.280 nan 0.000 0.499 551 D N 1.450 121.921 120.400 0.119 0.000 2.713 551 D HA 0.394 5.033 4.640 -0.001 0.000 0.229 551 D C -0.255 176.138 176.300 0.156 0.000 1.136 551 D CA 0.205 54.395 54.000 0.316 0.000 1.010 551 D CB -0.374 40.711 40.800 0.474 0.000 1.084 551 D HN 0.211 nan 8.370 nan 0.000 0.495 552 V N -1.160 118.774 119.914 0.033 0.000 3.040 552 V HA 1.027 5.146 4.120 -0.001 0.000 0.312 552 V C -0.722 175.354 176.094 -0.030 0.000 1.115 552 V CA -1.099 61.222 62.300 0.034 0.000 0.998 552 V CB 1.562 33.417 31.823 0.054 0.000 1.042 552 V HN 0.280 nan 8.190 nan 0.000 0.433 553 A N 3.053 125.963 122.820 0.151 0.000 2.577 553 A HA 0.797 5.116 4.320 -0.001 0.000 0.297 553 A C -1.459 176.274 177.584 0.249 0.000 1.060 553 A CA -0.614 51.518 52.037 0.159 0.000 0.697 553 A CB 1.376 20.244 19.000 -0.220 0.000 1.281 553 A HN 1.058 nan 8.150 nan 0.000 0.402 554 L N 1.622 123.014 121.223 0.282 0.000 2.344 554 L HA 0.652 4.991 4.340 -0.001 0.000 0.272 554 L C -0.594 176.306 176.870 0.051 0.000 1.035 554 L CA -0.671 54.277 54.840 0.180 0.000 0.807 554 L CB 1.742 43.894 42.059 0.154 0.000 1.237 554 L HN 0.623 nan 8.230 nan 0.000 0.442 555 I N 2.378 122.990 120.570 0.070 0.000 2.495 555 I HA 0.220 4.389 4.170 -0.001 0.000 0.277 555 I C -0.221 175.828 176.117 -0.114 0.000 1.045 555 I CA -0.492 60.765 61.300 -0.071 0.000 1.135 555 I CB 1.433 39.373 38.000 -0.099 0.000 1.241 555 I HN 0.514 nan 8.210 nan 0.000 0.469 556 K N 7.317 127.558 120.400 -0.266 0.000 2.338 556 K HA 0.400 4.719 4.320 -0.001 0.000 0.290 556 K C -0.367 176.074 176.600 -0.265 0.000 1.069 556 K CA -0.379 55.559 56.287 -0.582 0.000 0.941 556 K CB 0.610 32.623 32.500 -0.811 0.000 1.023 556 K HN 0.561 nan 8.250 nan 0.000 0.477 557 L N 3.882 125.009 121.223 -0.159 0.000 2.472 557 L HA 0.089 4.429 4.340 -0.001 0.000 0.260 557 L C 1.649 178.525 176.870 0.009 0.000 1.209 557 L CA 0.024 54.827 54.840 -0.062 0.000 0.817 557 L CB 0.476 42.493 42.059 -0.070 0.000 1.106 557 L HN 0.721 nan 8.230 nan 0.000 0.479 558 K N 0.340 120.740 120.400 0.001 0.000 2.243 558 K HA 0.043 4.363 4.320 -0.001 0.000 0.201 558 K C 0.030 176.668 176.600 0.064 0.000 1.051 558 K CA 0.468 56.769 56.287 0.024 0.000 0.970 558 K CB 0.329 32.829 32.500 0.001 0.000 0.755 558 K HN 0.542 nan 8.250 nan 0.000 0.465 559 N N 1.034 119.739 118.700 0.008 0.000 2.335 559 N HA 0.111 4.851 4.740 -0.001 0.000 0.304 559 N C -1.440 173.921 175.510 -0.248 0.000 1.135 559 N CA -0.544 52.478 53.050 -0.046 0.000 0.817 559 N CB 1.759 40.205 38.487 -0.068 0.000 1.294 559 N HN -0.018 nan 8.380 nan 0.000 0.497 560 K N 1.267 121.469 120.400 -0.329 0.000 2.298 560 K HA 0.281 4.600 4.320 -0.001 0.000 0.280 560 K C -0.630 175.693 176.600 -0.462 0.000 1.032 560 K CA -0.308 55.577 56.287 -0.670 0.000 0.958 560 K CB 0.433 32.684 32.500 -0.415 0.000 0.978 560 K HN 0.446 nan 8.250 nan 0.000 0.472 561 L N 4.605 125.503 121.223 -0.540 0.000 2.281 561 L HA 0.220 4.559 4.340 -0.001 0.000 0.285 561 L C -0.196 176.352 176.870 -0.536 0.000 1.074 561 L CA -0.672 53.911 54.840 -0.429 0.000 0.817 561 L CB 0.929 42.773 42.059 -0.358 0.000 1.168 561 L HN 0.470 nan 8.230 nan 0.000 0.434 562 K N 3.697 123.891 120.400 -0.343 0.000 2.273 562 K HA 0.263 4.582 4.320 -0.001 0.000 0.287 562 K C -0.887 175.595 176.600 -0.197 0.000 1.089 562 K CA -0.225 55.892 56.287 -0.283 0.000 0.909 562 K CB 0.041 32.452 32.500 -0.149 0.000 1.123 562 K HN 0.124 nan 8.250 nan 0.000 0.473 563 Y N 0.961 121.237 120.300 -0.038 0.000 2.610 563 Y HA 0.297 4.846 4.550 -0.002 0.000 0.332 563 Y C 1.448 177.332 175.900 -0.025 0.000 1.201 563 Y CA 0.369 58.454 58.100 -0.025 0.000 1.465 563 Y CB 0.324 38.778 38.460 -0.011 0.000 1.283 563 Y HN 0.697 nan 8.280 nan 0.000 0.563 564 G N 1.192 110.078 108.800 0.143 0.000 3.166 564 G HA2 0.248 4.207 3.960 -0.001 0.000 0.267 564 G HA3 0.248 4.207 3.960 -0.001 0.000 0.267 564 G C -0.293 174.629 174.900 0.037 0.000 1.256 564 G CA -0.760 44.376 45.100 0.058 0.000 0.859 564 G HN 0.504 nan 8.290 nan 0.000 0.590 565 Q N -0.513 119.289 119.800 0.002 0.000 2.444 565 Q HA 0.076 4.415 4.340 -0.001 0.000 0.206 565 Q C 1.715 177.703 176.000 -0.019 0.000 0.948 565 Q CA 1.243 57.039 55.803 -0.012 0.000 0.946 565 Q CB 0.304 29.027 28.738 -0.025 0.000 1.027 565 Q HN 0.598 nan 8.270 nan 0.000 0.513 566 T N -3.705 110.834 114.554 -0.026 0.000 2.969 566 T HA 0.320 4.669 4.350 -0.001 0.000 0.258 566 T C 0.503 175.198 174.700 -0.009 0.000 0.962 566 T CA -0.230 61.836 62.100 -0.057 0.000 0.903 566 T CB 0.425 69.174 68.868 -0.198 0.000 1.177 566 T HN -0.030 nan 8.240 nan 0.000 0.511 567 I N 1.435 122.025 120.570 0.034 0.000 2.447 567 I HA 0.663 4.832 4.170 -0.001 0.000 0.287 567 I C -0.611 175.607 176.117 0.168 0.000 1.023 567 I CA -1.019 60.340 61.300 0.100 0.000 1.083 567 I CB 2.070 40.135 38.000 0.108 0.000 1.245 567 I HN 0.098 nan 8.210 nan 0.000 0.434 568 R N 6.944 127.519 120.500 0.124 0.000 2.579 568 R HA 0.442 4.782 4.340 -0.001 0.000 0.260 568 R C -3.017 173.296 176.300 0.022 0.000 1.103 568 R CA -1.161 54.924 56.100 -0.026 0.000 0.942 568 R CB 2.641 32.924 30.300 -0.028 0.000 1.251 568 R HN 0.179 nan 8.270 nan 0.000 0.450 569 P HA 0.156 nan 4.420 nan 0.000 0.272 569 P C -0.852 176.471 177.300 0.038 0.000 1.254 569 P CA -0.278 62.812 63.100 -0.016 0.000 0.795 569 P CB 0.552 32.175 31.700 -0.129 0.000 1.022 570 I N -0.508 120.070 120.570 0.014 0.000 2.647 570 I HA 0.291 4.460 4.170 -0.001 0.000 0.295 570 I C -0.829 175.223 176.117 -0.107 0.000 1.078 570 I CA -1.152 60.096 61.300 -0.087 0.000 1.048 570 I CB 1.333 39.203 38.000 -0.217 0.000 1.239 570 I HN 0.292 nan 8.210 nan 0.000 0.421 571 c N 7.073 125.592 118.600 -0.134 0.000 2.596 571 c HA 0.229 4.798 4.570 -0.001 0.000 0.414 571 c C 0.330 174.339 174.090 -0.134 0.000 1.396 571 c CA -0.241 56.008 56.329 -0.133 0.000 1.698 571 c CB -1.190 41.242 42.510 -0.129 0.000 2.572 571 c HN 0.446 nan 8.230 nan 0.000 0.604 572 L N 5.550 126.686 121.223 -0.145 0.000 2.331 572 L HA 0.419 4.758 4.340 -0.001 0.000 0.275 572 L C -2.129 174.636 176.870 -0.176 0.000 1.022 572 L CA -1.845 52.918 54.840 -0.129 0.000 0.812 572 L CB 1.200 43.229 42.059 -0.050 0.000 1.257 572 L HN 0.316 nan 8.230 nan 0.000 0.435 573 P HA -0.041 nan 4.420 nan 0.000 0.266 573 P C -0.348 176.840 177.300 -0.186 0.000 1.193 573 P CA -0.155 62.725 63.100 -0.368 0.000 0.770 573 P CB 0.258 31.303 31.700 -1.091 0.000 0.836 574 c N 0.924 119.480 118.600 -0.073 0.000 4.067 574 c HA -0.070 4.500 4.570 -0.001 0.000 0.305 574 c C 0.592 174.646 174.090 -0.060 0.000 1.305 574 c CA 1.073 57.414 56.329 0.019 0.000 2.111 574 c CB -3.117 39.456 42.510 0.105 0.000 1.339 574 c HN 0.838 nan 8.230 nan 0.000 0.668 575 T N -3.851 110.607 114.554 -0.160 0.000 2.909 575 T HA 0.545 4.894 4.350 -0.001 0.000 0.299 575 T C 0.644 175.242 174.700 -0.169 0.000 1.073 575 T CA -0.580 61.346 62.100 -0.289 0.000 0.999 575 T CB 1.536 70.112 68.868 -0.486 0.000 1.098 575 T HN 0.382 nan 8.240 nan 0.000 0.477 576 E N 1.263 121.372 120.200 -0.152 0.000 2.265 576 E HA -0.049 4.300 4.350 -0.001 0.000 0.196 576 E C 2.075 178.617 176.600 -0.096 0.000 0.996 576 E CA 1.092 57.437 56.400 -0.093 0.000 0.832 576 E CB -0.334 29.324 29.700 -0.070 0.000 0.756 576 E HN 0.878 nan 8.360 nan 0.000 0.491 577 G N 0.528 109.249 108.800 -0.131 0.000 2.408 577 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.215 577 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.215 577 G C 1.610 176.445 174.900 -0.110 0.000 1.156 577 G CA 0.834 45.864 45.100 -0.117 0.000 0.793 577 G HN 0.155 nan 8.290 nan 0.000 0.535 578 T N 1.025 115.506 114.554 -0.122 0.000 2.904 578 T HA -0.058 4.292 4.350 -0.001 0.000 0.267 578 T C 2.654 177.310 174.700 -0.073 0.000 1.059 578 T CA 1.575 63.614 62.100 -0.100 0.000 1.137 578 T CB -0.347 68.460 68.868 -0.102 0.000 0.879 578 T HN 0.252 nan 8.240 nan 0.000 0.467 579 T N 2.130 116.646 114.554 -0.064 0.000 2.720 579 T HA -0.108 4.242 4.350 -0.001 0.000 0.268 579 T C 2.110 176.781 174.700 -0.049 0.000 1.037 579 T CA 1.100 63.174 62.100 -0.043 0.000 1.144 579 T CB -0.157 68.690 68.868 -0.034 0.000 0.864 579 T HN 0.401 nan 8.240 nan 0.000 0.444 580 R N 0.854 121.319 120.500 -0.058 0.000 2.115 580 R HA 0.176 4.515 4.340 -0.001 0.000 0.226 580 R C 2.837 179.094 176.300 -0.071 0.000 1.100 580 R CA 0.981 57.045 56.100 -0.060 0.000 0.980 580 R CB -0.380 29.883 30.300 -0.063 0.000 0.875 580 R HN 0.348 nan 8.270 nan 0.000 0.445 581 A N 1.290 124.062 122.820 -0.080 0.000 1.933 581 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 581 A C 1.978 179.504 177.584 -0.096 0.000 1.175 581 A CA 1.123 53.102 52.037 -0.095 0.000 0.628 581 A CB -0.372 18.565 19.000 -0.105 0.000 0.814 581 A HN 0.188 nan 8.150 nan 0.000 0.444 582 L N -1.774 119.402 121.223 -0.078 0.000 2.591 582 L HA 0.087 4.426 4.340 -0.001 0.000 0.228 582 L C 0.606 177.440 176.870 -0.060 0.000 1.133 582 L CA 0.146 54.944 54.840 -0.070 0.000 0.880 582 L CB -0.202 41.827 42.059 -0.051 0.000 1.033 582 L HN 0.411 nan 8.230 nan 0.000 0.450 583 R N -0.559 119.906 120.500 -0.058 0.000 3.770 583 R HA -0.165 4.175 4.340 -0.001 0.000 0.305 583 R C -0.301 175.976 176.300 -0.039 0.000 1.184 583 R CA 0.407 56.478 56.100 -0.050 0.000 0.823 583 R CB -2.483 27.787 30.300 -0.051 0.000 1.285 583 R HN 0.311 nan 8.270 nan 0.000 0.499 584 L N 0.815 122.017 121.223 -0.035 0.000 2.379 584 L HA 0.446 4.785 4.340 -0.001 0.000 0.269 584 L C -1.671 175.188 176.870 -0.019 0.000 1.084 584 L CA -2.354 52.471 54.840 -0.026 0.000 0.802 584 L CB 0.503 42.549 42.059 -0.022 0.000 1.175 584 L HN -0.269 nan 8.230 nan 0.000 0.448 585 P HA 0.034 nan 4.420 nan 0.000 0.266 585 P C -2.127 175.171 177.300 -0.003 0.000 1.193 585 P CA -0.846 62.251 63.100 -0.004 0.000 0.770 585 P CB 0.003 31.702 31.700 -0.001 0.000 0.836 586 P HA -0.127 nan 4.420 nan 0.000 0.221 586 P C 0.882 178.186 177.300 0.005 0.000 1.145 586 P CA 1.524 64.624 63.100 0.001 0.000 0.795 586 P CB -0.479 31.223 31.700 0.004 0.000 0.775 587 T N -5.025 109.534 114.554 0.008 0.000 3.380 587 T HA 0.088 4.437 4.350 -0.001 0.000 0.250 587 T C 0.476 175.183 174.700 0.012 0.000 1.082 587 T CA -0.126 61.981 62.100 0.012 0.000 0.968 587 T CB -1.326 67.549 68.868 0.013 0.000 1.027 587 T HN -0.093 nan 8.240 nan 0.000 0.575 588 T N 4.006 118.566 114.554 0.010 0.000 2.761 588 T HA 0.382 4.731 4.350 -0.001 0.000 0.296 588 T C 0.799 175.513 174.700 0.025 0.000 0.934 588 T CA -0.403 61.705 62.100 0.013 0.000 1.091 588 T CB 0.913 69.786 68.868 0.008 0.000 0.896 588 T HN 0.654 nan 8.240 nan 0.000 0.515 589 T N -0.082 114.490 114.554 0.030 0.000 2.849 589 T HA 0.102 4.451 4.350 -0.001 0.000 0.284 589 T C 1.846 176.584 174.700 0.064 0.000 1.004 589 T CA -0.874 61.252 62.100 0.044 0.000 1.021 589 T CB 0.674 69.566 68.868 0.041 0.000 1.013 589 T HN 0.709 nan 8.240 nan 0.000 0.527 590 c N 0.974 119.626 118.600 0.085 0.000 2.413 590 c HA -0.082 4.487 4.570 -0.001 0.000 0.277 590 c C 2.781 176.957 174.090 0.144 0.000 1.265 590 c CA 1.602 58.012 56.329 0.135 0.000 1.752 590 c CB -1.620 40.979 42.510 0.148 0.000 1.998 590 c HN 1.071 nan 8.230 nan 0.000 0.489 591 Q N 0.538 120.391 119.800 0.088 0.000 2.170 591 Q HA -0.170 4.169 4.340 -0.001 0.000 0.203 591 Q C 2.224 178.232 176.000 0.012 0.000 0.976 591 Q CA 1.915 57.746 55.803 0.047 0.000 0.858 591 Q CB -0.440 28.319 28.738 0.035 0.000 0.907 591 Q HN 0.786 nan 8.270 nan 0.000 0.433 592 Q N -0.600 119.214 119.800 0.024 0.000 2.119 592 Q HA -0.171 4.168 4.340 -0.001 0.000 0.201 592 Q C 2.164 178.166 176.000 0.002 0.000 0.972 592 Q CA 1.442 57.248 55.803 0.005 0.000 0.847 592 Q CB -0.036 28.708 28.738 0.010 0.000 0.903 592 Q HN 0.551 nan 8.270 nan 0.000 0.433 593 Q N 0.684 120.515 119.800 0.050 0.000 2.119 593 Q HA -0.152 4.187 4.340 -0.001 0.000 0.201 593 Q C 1.953 177.965 176.000 0.019 0.000 0.972 593 Q CA 0.963 56.820 55.803 0.089 0.000 0.847 593 Q CB -0.092 28.763 28.738 0.195 0.000 0.903 593 Q HN 0.204 nan 8.270 nan 0.000 0.433 594 K N 1.166 121.485 120.400 -0.135 0.000 2.211 594 K HA -0.165 4.154 4.320 -0.001 0.000 0.203 594 K C 1.459 177.841 176.600 -0.364 0.000 1.050 594 K CA 1.127 57.016 56.287 -0.663 0.000 0.945 594 K CB 0.198 32.240 32.500 -0.763 0.000 0.732 594 K HN 0.207 nan 8.250 nan 0.000 0.451 595 E N -0.193 119.898 120.200 -0.181 0.000 2.285 595 E HA -0.159 4.190 4.350 -0.001 0.000 0.194 595 E C 1.625 178.169 176.600 -0.093 0.000 0.997 595 E CA 0.739 57.067 56.400 -0.120 0.000 0.845 595 E CB 0.226 29.881 29.700 -0.074 0.000 0.782 595 E HN 0.283 nan 8.360 nan 0.000 0.491 596 E N 0.988 121.141 120.200 -0.078 0.000 2.075 596 E HA -0.030 4.320 4.350 -0.001 0.000 0.190 596 E C 1.828 178.397 176.600 -0.052 0.000 0.969 596 E CA 0.673 57.041 56.400 -0.053 0.000 0.815 596 E CB 0.005 29.686 29.700 -0.032 0.000 0.776 596 E HN 0.140 nan 8.360 nan 0.000 0.457 597 L N -0.272 120.924 121.223 -0.045 0.000 2.162 597 L HA 0.133 4.472 4.340 -0.001 0.000 0.205 597 L C 0.687 177.525 176.870 -0.053 0.000 1.086 597 L CA 0.537 55.367 54.840 -0.015 0.000 0.778 597 L CB 0.088 42.211 42.059 0.108 0.000 0.928 597 L HN 0.081 nan 8.230 nan 0.000 0.446 598 L N 0.624 121.767 121.223 -0.133 0.000 2.556 598 L HA 0.366 4.705 4.340 -0.001 0.000 0.243 598 L C -2.392 174.405 176.870 -0.121 0.000 1.331 598 L CA -1.664 53.098 54.840 -0.130 0.000 0.927 598 L CB 0.551 42.493 42.059 -0.195 0.000 1.219 598 L HN -0.113 nan 8.230 nan 0.000 0.490 599 P HA 0.080 nan 4.420 nan 0.000 0.274 599 P C 0.111 177.384 177.300 -0.045 0.000 1.260 599 P CA -0.380 62.683 63.100 -0.062 0.000 0.793 599 P CB 0.810 32.483 31.700 -0.045 0.000 1.048 600 A N 0.550 123.349 122.820 -0.035 0.000 3.135 600 A HA 0.222 4.541 4.320 -0.001 0.000 0.253 600 A C 0.426 177.999 177.584 -0.018 0.000 1.638 600 A CA 0.146 52.168 52.037 -0.024 0.000 1.295 600 A CB -1.315 17.672 19.000 -0.020 0.000 1.106 600 A HN 0.544 nan 8.150 nan 0.000 0.648 601 Q N -1.256 118.537 119.800 -0.012 0.000 2.943 601 Q HA 0.392 4.731 4.340 -0.001 0.000 0.341 601 Q C -1.706 174.303 176.000 0.015 0.000 0.858 601 Q CA -1.055 54.745 55.803 -0.004 0.000 0.804 601 Q CB 0.495 29.231 28.738 -0.003 0.000 1.399 601 Q HN 0.068 nan 8.270 nan 0.000 0.511 602 D N 1.557 121.976 120.400 0.032 0.000 2.470 602 D HA 0.332 4.971 4.640 -0.001 0.000 0.226 602 D C -0.220 176.172 176.300 0.154 0.000 1.196 602 D CA 0.027 54.076 54.000 0.082 0.000 0.979 602 D CB -0.193 40.632 40.800 0.042 0.000 1.059 602 D HN 0.328 nan 8.370 nan 0.000 0.515 603 I N 0.878 121.507 120.570 0.099 0.000 2.752 603 I HA -0.059 4.110 4.170 -0.001 0.000 0.287 603 I C 1.150 177.287 176.117 0.033 0.000 1.188 603 I CA 0.260 61.587 61.300 0.045 0.000 1.427 603 I CB 0.539 38.539 38.000 0.000 0.000 1.365 603 I HN -0.039 nan 8.210 nan 0.000 0.585 604 K N 5.781 126.115 120.400 -0.110 0.000 2.299 604 K HA 0.645 4.964 4.320 -0.001 0.000 0.268 604 K C -0.727 175.708 176.600 -0.274 0.000 1.075 604 K CA -0.292 55.767 56.287 -0.380 0.000 0.936 604 K CB 0.857 33.110 32.500 -0.412 0.000 1.228 604 K HN 0.797 nan 8.250 nan 0.000 0.454 605 A N 3.371 126.036 122.820 -0.259 0.000 2.578 605 A HA 0.861 5.181 4.320 -0.001 0.000 0.255 605 A C -1.428 176.089 177.584 -0.111 0.000 1.251 605 A CA -0.752 51.203 52.037 -0.137 0.000 0.882 605 A CB 0.650 19.598 19.000 -0.087 0.000 1.416 605 A HN 0.602 nan 8.150 nan 0.000 0.462 606 L N -3.420 117.794 121.223 -0.014 0.000 2.869 606 L HA 0.875 5.214 4.340 -0.001 0.000 0.265 606 L C -0.833 176.124 176.870 0.145 0.000 1.011 606 L CA -0.762 54.091 54.840 0.021 0.000 0.913 606 L CB 0.836 42.870 42.059 -0.041 0.000 1.490 606 L HN 1.093 nan 8.230 nan 0.000 0.410 607 F N -1.326 118.631 119.950 0.011 0.000 2.629 607 F HA 0.962 5.488 4.527 -0.001 0.000 0.316 607 F C -1.088 174.756 175.800 0.073 0.000 1.081 607 F CA -1.502 56.525 58.000 0.045 0.000 0.954 607 F CB 1.512 40.532 39.000 0.033 0.000 1.337 607 F HN 0.315 nan 8.300 nan 0.000 0.474 608 V N 2.015 122.063 119.914 0.223 0.000 2.407 608 V HA 0.549 4.668 4.120 -0.001 0.000 0.278 608 V C -0.132 176.054 176.094 0.153 0.000 1.037 608 V CA -0.241 62.111 62.300 0.087 0.000 0.900 608 V CB 0.764 32.655 31.823 0.114 0.000 0.983 608 V HN 0.918 nan 8.190 nan 0.000 0.459 609 S N 3.490 119.199 115.700 0.015 0.000 2.568 609 S HA 0.541 5.010 4.470 -0.001 0.000 0.302 609 S C -0.680 173.943 174.600 0.038 0.000 1.082 609 S CA -0.685 57.571 58.200 0.093 0.000 1.009 609 S CB 1.706 64.951 63.200 0.076 0.000 1.069 609 S HN 0.866 nan 8.310 nan 0.000 0.500 610 E N 1.962 122.199 120.200 0.061 0.000 2.114 610 E HA 0.348 4.697 4.350 -0.001 0.000 0.266 610 E C -1.330 175.289 176.600 0.032 0.000 0.896 610 E CA -0.394 56.028 56.400 0.036 0.000 0.750 610 E CB 0.895 30.622 29.700 0.045 0.000 1.121 610 E HN 0.488 nan 8.360 nan 0.000 0.413 611 E N 4.092 124.300 120.200 0.014 0.000 2.185 611 E HA 0.134 4.483 4.350 -0.001 0.000 0.261 611 E C -1.134 175.469 176.600 0.005 0.000 0.879 611 E CA -0.342 56.064 56.400 0.011 0.000 0.756 611 E CB 0.722 30.423 29.700 0.002 0.000 1.152 611 E HN 0.561 nan 8.360 nan 0.000 0.416 612 E N 4.069 124.275 120.200 0.009 0.000 2.271 612 E HA -0.291 4.058 4.350 -0.001 0.000 0.223 612 E C -0.630 175.973 176.600 0.004 0.000 1.223 612 E CA 0.814 57.217 56.400 0.005 0.000 0.704 612 E CB -1.050 28.649 29.700 -0.002 0.000 1.194 612 E HN 0.782 nan 8.360 nan 0.000 0.375 613 K N -1.259 119.147 120.400 0.010 0.000 3.088 613 K HA -0.255 4.064 4.320 -0.001 0.000 0.273 613 K C -0.502 176.104 176.600 0.010 0.000 1.111 613 K CA 1.365 57.659 56.287 0.012 0.000 0.803 613 K CB -0.827 31.678 32.500 0.008 0.000 1.226 613 K HN 0.308 nan 8.250 nan 0.000 0.485 614 K N 0.792 121.195 120.400 0.005 0.000 2.507 614 K HA 0.377 4.696 4.320 -0.001 0.000 0.251 614 K C -0.241 176.350 176.600 -0.014 0.000 0.943 614 K CA -0.737 55.548 56.287 -0.002 0.000 0.794 614 K CB 1.708 34.201 32.500 -0.011 0.000 1.188 614 K HN -0.025 nan 8.250 nan 0.000 0.428 615 L N 1.835 123.041 121.223 -0.028 0.000 2.416 615 L HA 0.254 4.593 4.340 -0.001 0.000 0.272 615 L C 0.535 177.362 176.870 -0.072 0.000 1.161 615 L CA 0.312 55.115 54.840 -0.063 0.000 0.845 615 L CB 0.889 42.869 42.059 -0.133 0.000 1.119 615 L HN 0.640 nan 8.230 nan 0.000 0.464 616 T N 3.098 117.606 114.554 -0.077 0.000 2.923 616 T HA 0.431 4.780 4.350 -0.001 0.000 0.311 616 T C -0.564 174.059 174.700 -0.128 0.000 1.183 616 T CA -0.798 61.250 62.100 -0.087 0.000 1.020 616 T CB 1.182 70.006 68.868 -0.073 0.000 1.165 616 T HN 0.559 nan 8.240 nan 0.000 0.482 617 R N 2.642 123.064 120.500 -0.130 0.000 2.459 617 R HA 0.559 4.898 4.340 -0.001 0.000 0.281 617 R C -0.450 175.689 176.300 -0.268 0.000 1.050 617 R CA -0.943 55.052 56.100 -0.175 0.000 1.055 617 R CB 0.683 30.927 30.300 -0.092 0.000 1.045 617 R HN 0.299 nan 8.270 nan 0.000 0.495 618 K N 2.935 123.055 120.400 -0.467 0.000 2.572 618 K HA 0.176 4.496 4.320 -0.001 0.000 0.244 618 K C -0.827 175.548 176.600 -0.375 0.000 0.965 618 K CA -0.367 55.604 56.287 -0.526 0.000 0.943 618 K CB 1.720 33.628 32.500 -0.986 0.000 1.154 618 K HN 0.587 nan 8.250 nan 0.000 0.447 619 E N 2.021 122.101 120.200 -0.200 0.000 2.324 619 E HA 0.171 4.520 4.350 -0.001 0.000 0.271 619 E C 0.481 177.015 176.600 -0.109 0.000 1.028 619 E CA -0.272 56.030 56.400 -0.163 0.000 0.890 619 E CB 0.850 30.449 29.700 -0.168 0.000 1.004 619 E HN 0.361 nan 8.360 nan 0.000 0.431 620 V N 0.877 120.721 119.914 -0.116 0.000 3.119 620 V HA 0.581 4.700 4.120 -0.001 0.000 0.311 620 V C -1.283 174.670 176.094 -0.235 0.000 1.259 620 V CA -1.007 61.284 62.300 -0.015 0.000 1.067 620 V CB 1.139 33.065 31.823 0.171 0.000 1.123 620 V HN 0.520 nan 8.190 nan 0.000 0.463 621 Y N -0.110 120.216 120.300 0.044 0.000 2.391 621 Y HA 0.681 5.231 4.550 -0.001 0.000 0.341 621 Y C 0.022 175.925 175.900 0.005 0.000 0.965 621 Y CA -0.668 57.445 58.100 0.021 0.000 1.067 621 Y CB 1.969 40.456 38.460 0.045 0.000 1.199 621 Y HN 0.519 nan 8.280 nan 0.000 0.450 622 I N 5.060 125.699 120.570 0.115 0.000 2.337 622 I HA 0.160 4.329 4.170 -0.001 0.000 0.291 622 I C -0.258 175.898 176.117 0.065 0.000 1.046 622 I CA -0.814 60.523 61.300 0.061 0.000 1.324 622 I CB 0.521 38.535 38.000 0.022 0.000 1.409 622 I HN 0.366 nan 8.210 nan 0.000 0.494 623 K N 5.614 126.035 120.400 0.035 0.000 2.083 623 K HA 0.050 4.370 4.320 -0.001 0.000 0.246 623 K C 0.341 176.952 176.600 0.018 0.000 1.160 623 K CA 0.125 56.423 56.287 0.018 0.000 1.060 623 K CB -0.333 32.158 32.500 -0.014 0.000 1.417 623 K HN 0.449 nan 8.250 nan 0.000 0.329 624 N N 0.851 119.563 118.700 0.020 0.000 2.184 624 N HA 0.043 4.782 4.740 -0.001 0.000 0.206 624 N C 0.687 176.200 175.510 0.005 0.000 1.151 624 N CA 0.009 53.067 53.050 0.014 0.000 0.878 624 N CB 0.693 39.183 38.487 0.005 0.000 1.014 624 N HN 0.472 nan 8.380 nan 0.000 0.512 625 G N 0.137 108.938 108.800 0.003 0.000 2.928 625 G HA2 0.005 3.965 3.960 -0.001 0.000 0.163 625 G HA3 0.005 3.965 3.960 -0.001 0.000 0.163 625 G C 0.474 175.370 174.900 -0.007 0.000 1.573 625 G CA 0.399 45.495 45.100 -0.007 0.000 1.084 625 G HN 0.348 nan 8.290 nan 0.000 0.569 626 D N -0.712 119.678 120.400 -0.016 0.000 2.355 626 D HA -0.012 4.627 4.640 -0.001 0.000 0.218 626 D C 1.438 177.733 176.300 -0.009 0.000 1.004 626 D CA 0.528 54.520 54.000 -0.013 0.000 0.880 626 D CB 0.051 40.836 40.800 -0.024 0.000 0.911 626 D HN 0.398 nan 8.370 nan 0.000 0.528 627 K N 0.167 120.560 120.400 -0.012 0.000 2.437 627 K HA 0.086 4.405 4.320 -0.001 0.000 0.198 627 K C 1.626 178.225 176.600 -0.002 0.000 1.024 627 K CA -0.157 56.123 56.287 -0.012 0.000 1.148 627 K CB 0.476 32.961 32.500 -0.025 0.000 0.860 627 K HN 0.068 nan 8.250 nan 0.000 0.515 628 K N 1.066 121.470 120.400 0.008 0.000 2.025 628 K HA -0.104 4.215 4.320 -0.001 0.000 0.207 628 K C 2.032 178.652 176.600 0.034 0.000 1.049 628 K CA 1.485 57.784 56.287 0.021 0.000 0.933 628 K CB -0.163 32.355 32.500 0.029 0.000 0.714 628 K HN 0.228 nan 8.250 nan 0.000 0.438 629 G N 0.108 108.929 108.800 0.034 0.000 2.422 629 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 629 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 629 G C 1.445 176.374 174.900 0.048 0.000 1.146 629 G CA 1.022 46.149 45.100 0.044 0.000 0.769 629 G HN 0.337 nan 8.290 nan 0.000 0.547 630 S N -0.624 115.096 115.700 0.033 0.000 2.382 630 S HA -0.170 4.299 4.470 -0.001 0.000 0.228 630 S C 2.243 176.867 174.600 0.040 0.000 1.027 630 S CA 1.087 59.308 58.200 0.034 0.000 0.991 630 S CB -0.477 62.732 63.200 0.014 0.000 0.823 630 S HN 0.527 nan 8.310 nan 0.000 0.469 631 c N 1.834 120.445 118.600 0.017 0.000 2.485 631 c HA 0.118 4.687 4.570 -0.001 0.000 0.277 631 c C 2.408 176.519 174.090 0.035 0.000 1.376 631 c CA 0.246 56.560 56.329 -0.025 0.000 1.759 631 c CB -1.118 41.336 42.510 -0.092 0.000 1.970 631 c HN 0.565 nan 8.230 nan 0.000 0.509 632 E N 0.109 120.380 120.200 0.119 0.000 2.051 632 E HA -0.083 4.266 4.350 -0.001 0.000 0.189 632 E C 2.265 178.992 176.600 0.212 0.000 0.979 632 E CA 0.706 57.257 56.400 0.252 0.000 0.803 632 E CB -0.176 29.633 29.700 0.181 0.000 0.761 632 E HN 0.569 nan 8.360 nan 0.000 0.451 633 R N 1.052 121.634 120.500 0.137 0.000 2.293 633 R HA -0.102 4.237 4.340 -0.001 0.000 0.219 633 R C 0.763 177.159 176.300 0.161 0.000 1.091 633 R CA 0.811 56.978 56.100 0.111 0.000 1.004 633 R CB -0.043 30.307 30.300 0.082 0.000 0.865 633 R HN 0.113 nan 8.270 nan 0.000 0.469 634 D N 0.286 120.824 120.400 0.230 0.000 2.363 634 D HA 0.005 4.644 4.640 -0.001 0.000 0.226 634 D C 1.105 177.639 176.300 0.391 0.000 1.020 634 D CA 0.359 54.572 54.000 0.354 0.000 0.892 634 D CB 0.264 41.218 40.800 0.257 0.000 0.900 634 D HN 0.200 nan 8.370 nan 0.000 0.531 635 A N 0.717 123.709 122.820 0.287 0.000 2.238 635 A HA -0.105 4.214 4.320 -0.001 0.000 0.208 635 A C 1.992 179.626 177.584 0.084 0.000 1.177 635 A CA 0.308 52.468 52.037 0.206 0.000 0.804 635 A CB -0.381 18.617 19.000 -0.004 0.000 0.823 635 A HN 0.322 nan 8.150 nan 0.000 0.482 636 Q N -1.676 118.161 119.800 0.060 0.000 2.245 636 Q HA -0.114 4.225 4.340 -0.001 0.000 0.201 636 Q C 1.043 176.978 176.000 -0.108 0.000 0.955 636 Q CA 1.230 56.990 55.803 -0.072 0.000 0.870 636 Q CB -0.602 27.994 28.738 -0.237 0.000 0.945 636 Q HN 0.683 nan 8.270 nan 0.000 0.461 637 Y N 1.554 121.877 120.300 0.039 0.000 2.561 637 Y HA 0.246 4.795 4.550 -0.001 0.000 0.291 637 Y C 1.254 177.237 175.900 0.139 0.000 1.141 637 Y CA -0.008 58.101 58.100 0.015 0.000 1.303 637 Y CB -0.068 38.288 38.460 -0.172 0.000 1.015 637 Y HN 0.173 nan 8.280 nan 0.000 0.547 638 A N 1.401 124.410 122.820 0.314 0.000 2.445 638 A HA 0.232 4.551 4.320 -0.001 0.000 0.242 638 A C -2.337 175.449 177.584 0.336 0.000 1.075 638 A CA -1.374 50.864 52.037 0.336 0.000 0.777 638 A CB -0.320 18.854 19.000 0.291 0.000 1.013 638 A HN 0.000 nan 8.150 nan 0.000 0.493 639 P HA 0.244 nan 4.420 nan 0.000 0.261 639 P C 1.050 178.411 177.300 0.102 0.000 1.203 639 P CA 1.856 65.057 63.100 0.169 0.000 0.767 639 P CB 0.529 32.313 31.700 0.141 0.000 0.785 640 G N 2.814 111.610 108.800 -0.006 0.000 2.284 640 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.230 640 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.230 640 G C 0.536 175.267 174.900 -0.281 0.000 1.021 640 G CA -0.309 44.675 45.100 -0.193 0.000 0.619 640 G HN 0.471 nan 8.290 nan 0.000 0.510 641 Y N 2.490 122.753 120.300 -0.063 0.000 2.470 641 Y HA 0.242 4.791 4.550 -0.001 0.000 0.284 641 Y C 2.056 177.911 175.900 -0.074 0.000 1.188 641 Y CA 0.554 58.608 58.100 -0.077 0.000 1.269 641 Y CB 0.147 38.559 38.460 -0.080 0.000 1.094 641 Y HN 0.419 nan 8.280 nan 0.000 0.518 642 D N 0.617 121.037 120.400 0.033 0.000 2.347 642 D HA -0.139 4.500 4.640 -0.001 0.000 0.215 642 D C 0.691 176.964 176.300 -0.045 0.000 0.976 642 D CA 0.644 54.632 54.000 -0.020 0.000 0.884 642 D CB -0.200 40.590 40.800 -0.016 0.000 0.915 642 D HN 0.490 nan 8.370 nan 0.000 0.526 643 K N 0.084 120.457 120.400 -0.045 0.000 2.792 643 K HA 0.318 4.637 4.320 -0.001 0.000 0.207 643 K C -0.635 175.936 176.600 -0.049 0.000 1.103 643 K CA -0.543 55.713 56.287 -0.051 0.000 1.048 643 K CB 0.820 33.285 32.500 -0.057 0.000 0.777 643 K HN -0.138 nan 8.250 nan 0.000 0.468 644 V N 2.610 122.506 119.914 -0.029 0.000 2.488 644 V HA 0.093 4.212 4.120 -0.001 0.000 0.277 644 V C 1.069 177.153 176.094 -0.018 0.000 1.046 644 V CA -0.336 61.954 62.300 -0.016 0.000 0.986 644 V CB 1.187 33.035 31.823 0.041 0.000 0.989 644 V HN 0.388 nan 8.190 nan 0.000 0.475 645 K N 2.247 122.633 120.400 -0.022 0.000 1.973 645 K HA -0.076 4.243 4.320 -0.001 0.000 0.212 645 K C 0.491 177.085 176.600 -0.010 0.000 1.047 645 K CA 1.268 57.543 56.287 -0.020 0.000 0.937 645 K CB 0.038 32.524 32.500 -0.022 0.000 0.721 645 K HN 0.651 nan 8.250 nan 0.000 0.440 646 D N 0.089 120.488 120.400 -0.002 0.000 2.349 646 D HA 0.081 4.720 4.640 -0.001 0.000 0.232 646 D C 0.178 176.489 176.300 0.019 0.000 1.071 646 D CA -0.372 53.633 54.000 0.008 0.000 0.832 646 D CB 1.417 42.224 40.800 0.011 0.000 1.086 646 D HN -0.079 nan 8.370 nan 0.000 0.504 647 I N 3.197 123.777 120.570 0.016 0.000 2.756 647 I HA -0.157 4.012 4.170 -0.001 0.000 0.262 647 I C 1.789 177.915 176.117 0.016 0.000 1.225 647 I CA 1.157 62.467 61.300 0.016 0.000 1.472 647 I CB -0.131 37.876 38.000 0.011 0.000 1.094 647 I HN 0.414 nan 8.210 nan 0.000 0.454 648 S N -1.032 114.685 115.700 0.029 0.000 2.607 648 S HA -0.053 4.416 4.470 -0.001 0.000 0.224 648 S C 1.768 176.405 174.600 0.061 0.000 0.969 648 S CA 0.685 58.909 58.200 0.041 0.000 0.927 648 S CB -0.246 62.982 63.200 0.046 0.000 0.772 648 S HN 0.525 nan 8.310 nan 0.000 0.533 649 E N 1.737 121.978 120.200 0.067 0.000 2.276 649 E HA 0.016 4.365 4.350 -0.001 0.000 0.193 649 E C 1.757 178.475 176.600 0.196 0.000 0.983 649 E CA 0.954 57.421 56.400 0.111 0.000 0.861 649 E CB 0.027 29.767 29.700 0.066 0.000 0.817 649 E HN 0.498 nan 8.360 nan 0.000 0.485 650 V N -1.828 118.160 119.914 0.122 0.000 3.506 650 V HA 0.233 4.353 4.120 -0.001 0.000 0.263 650 V C 0.702 176.690 176.094 -0.177 0.000 1.203 650 V CA 0.112 62.477 62.300 0.108 0.000 1.133 650 V CB 0.494 32.382 31.823 0.108 0.000 0.802 650 V HN -0.025 nan 8.190 nan 0.000 0.459 651 V N 3.223 123.041 119.914 -0.160 0.000 2.235 651 V HA 0.339 4.458 4.120 -0.001 0.000 0.266 651 V C 0.744 176.859 176.094 0.035 0.000 1.055 651 V CA 0.247 62.365 62.300 -0.302 0.000 0.844 651 V CB 0.156 31.825 31.823 -0.256 0.000 1.097 651 V HN 0.651 nan 8.190 nan 0.000 0.453 652 T N 1.709 116.413 114.554 0.249 0.000 2.856 652 T HA 0.206 4.555 4.350 -0.001 0.000 0.306 652 T C -1.448 173.423 174.700 0.285 0.000 1.062 652 T CA -1.285 60.979 62.100 0.273 0.000 1.083 652 T CB 0.971 69.956 68.868 0.194 0.000 0.984 652 T HN 0.313 nan 8.240 nan 0.000 0.542 653 P HA -0.005 nan 4.420 nan 0.000 0.226 653 P C 0.744 178.070 177.300 0.045 0.000 1.146 653 P CA 0.607 63.768 63.100 0.103 0.000 0.773 653 P CB 0.005 31.749 31.700 0.073 0.000 0.772 654 R N -1.262 119.188 120.500 -0.083 0.000 2.547 654 R HA 0.229 4.568 4.340 -0.001 0.000 0.258 654 R C -0.289 175.747 176.300 -0.442 0.000 1.115 654 R CA 0.043 55.951 56.100 -0.321 0.000 1.152 654 R CB -1.148 28.725 30.300 -0.712 0.000 1.221 654 R HN 0.173 nan 8.270 nan 0.000 0.539 655 F N -0.459 119.493 119.950 0.003 0.000 2.540 655 F HA 0.447 4.974 4.527 -0.001 0.000 0.317 655 F C -0.171 175.691 175.800 0.104 0.000 1.104 655 F CA -1.019 57.024 58.000 0.072 0.000 0.913 655 F CB 1.590 40.654 39.000 0.107 0.000 1.170 655 F HN -0.256 nan 8.300 nan 0.000 0.450 656 L N 3.639 125.041 121.223 0.297 0.000 2.298 656 L HA 0.402 4.741 4.340 -0.001 0.000 0.284 656 L C -0.689 176.278 176.870 0.163 0.000 1.013 656 L CA -0.627 54.335 54.840 0.202 0.000 0.824 656 L CB 1.498 43.648 42.059 0.151 0.000 1.221 656 L HN 0.633 nan 8.230 nan 0.000 0.418 657 c N 3.529 122.150 118.600 0.036 0.000 2.435 657 c HA 0.727 5.296 4.570 -0.001 0.000 0.375 657 c C 0.924 174.911 174.090 -0.172 0.000 1.281 657 c CA -0.043 56.130 56.329 -0.260 0.000 1.963 657 c CB 0.139 42.469 42.510 -0.299 0.000 2.490 657 c HN 0.943 nan 8.230 nan 0.000 0.557 658 T N 2.490 116.895 114.554 -0.248 0.000 2.742 658 T HA 0.873 5.222 4.350 -0.001 0.000 0.282 658 T C 0.121 174.729 174.700 -0.153 0.000 1.025 658 T CA 0.328 62.374 62.100 -0.090 0.000 1.020 658 T CB 0.839 69.749 68.868 0.071 0.000 1.317 658 T HN 2.362 nan 8.240 nan 0.000 0.538 659 G N -1.381 107.399 108.800 -0.032 0.000 2.819 659 G HA2 0.435 4.395 3.960 -0.001 0.000 0.682 659 G HA3 0.435 4.395 3.960 -0.001 0.000 0.682 659 G C 0.219 175.089 174.900 -0.050 0.000 1.481 659 G CA 0.053 45.133 45.100 -0.033 0.000 0.904 659 G HN 2.635 nan 8.290 nan 0.000 0.563 660 G N -2.333 106.449 108.800 -0.030 0.000 2.278 660 G HA2 0.498 4.457 3.960 -0.001 0.000 0.265 660 G HA3 0.498 4.457 3.960 -0.001 0.000 0.265 660 G C 0.737 175.628 174.900 -0.016 0.000 1.329 660 G CA 1.364 46.439 45.100 -0.041 0.000 1.017 660 G HN 2.353 nan 8.290 nan 0.000 0.472 661 V N -3.412 116.483 119.914 -0.031 0.000 3.612 661 V HA 0.652 4.771 4.120 -0.001 0.000 0.268 661 V C 0.827 176.884 176.094 -0.061 0.000 1.365 661 V CA 1.446 63.727 62.300 -0.031 0.000 1.044 661 V CB 0.645 32.441 31.823 -0.044 0.000 0.820 661 V HN 1.520 nan 8.190 nan 0.000 0.444 662 S N 0.905 116.560 115.700 -0.076 0.000 2.482 662 S HA 0.687 5.156 4.470 -0.001 0.000 0.303 662 S C -1.985 172.536 174.600 -0.132 0.000 1.091 662 S CA -1.074 57.046 58.200 -0.133 0.000 1.057 662 S CB 1.934 65.065 63.200 -0.115 0.000 1.031 662 S HN 0.194 nan 8.310 nan 0.000 0.485 663 P HA 0.141 nan 4.420 nan 0.000 0.225 663 P C -0.852 176.079 177.300 -0.615 0.000 1.156 663 P CA 0.954 63.802 63.100 -0.419 0.000 0.787 663 P CB 0.047 31.465 31.700 -0.471 0.000 0.802 664 Y N -1.775 118.417 120.300 -0.180 0.000 2.634 664 Y HA 0.630 5.179 4.550 -0.001 0.000 0.340 664 Y C 0.230 176.131 175.900 0.002 0.000 1.058 664 Y CA -1.871 56.192 58.100 -0.062 0.000 1.081 664 Y CB 0.804 39.262 38.460 -0.004 0.000 1.295 664 Y HN -0.373 nan 8.280 nan 0.000 0.487 665 A N 1.666 124.605 122.820 0.198 0.000 2.671 665 A HA 0.279 4.598 4.320 -0.001 0.000 0.306 665 A C -1.008 176.662 177.584 0.143 0.000 1.473 665 A CA -0.487 51.621 52.037 0.119 0.000 1.155 665 A CB -1.041 18.006 19.000 0.079 0.000 1.123 665 A HN 0.556 nan 8.150 nan 0.000 0.545 666 D N 3.653 124.141 120.400 0.148 0.000 2.308 666 D HA 0.376 5.015 4.640 -0.001 0.000 0.251 666 D C -2.394 173.982 176.300 0.127 0.000 1.127 666 D CA -1.174 52.923 54.000 0.163 0.000 0.876 666 D CB 0.676 41.589 40.800 0.189 0.000 1.176 666 D HN 0.250 nan 8.370 nan 0.000 0.446 667 P HA 0.092 nan 4.420 nan 0.000 0.268 667 P C -0.403 177.046 177.300 0.248 0.000 1.205 667 P CA -0.199 62.996 63.100 0.159 0.000 0.771 667 P CB 0.599 32.371 31.700 0.121 0.000 0.858 668 N N 0.099 118.902 118.700 0.171 0.000 2.495 668 N HA 0.350 5.089 4.740 -0.001 0.000 0.280 668 N C -0.195 175.396 175.510 0.134 0.000 1.168 668 N CA -0.357 52.750 53.050 0.095 0.000 0.978 668 N CB 0.208 38.703 38.487 0.013 0.000 1.191 668 N HN 0.363 nan 8.380 nan 0.000 0.497 669 T N -2.178 112.323 114.554 -0.089 0.000 2.889 669 T HA 0.522 4.871 4.350 -0.001 0.000 0.291 669 T C 0.390 175.084 174.700 -0.009 0.000 0.995 669 T CA -0.659 61.357 62.100 -0.139 0.000 1.092 669 T CB 0.090 68.721 68.868 -0.396 0.000 0.954 669 T HN 0.370 nan 8.240 nan 0.000 0.506 670 c N 1.900 120.538 118.600 0.062 0.000 2.534 670 c HA 0.541 5.111 4.570 -0.001 0.000 0.398 670 c C 2.320 176.447 174.090 0.062 0.000 1.609 670 c CA -0.884 55.485 56.329 0.068 0.000 1.916 670 c CB 0.800 43.365 42.510 0.092 0.000 1.954 670 c HN 1.169 nan 8.230 nan 0.000 0.508 671 R N 0.342 120.885 120.500 0.072 0.000 2.090 671 R HA -0.026 4.314 4.340 -0.001 0.000 0.228 671 R C 1.913 178.262 176.300 0.082 0.000 1.110 671 R CA 1.742 57.891 56.100 0.081 0.000 0.973 671 R CB -0.807 29.540 30.300 0.078 0.000 0.869 671 R HN 0.929 nan 8.270 nan 0.000 0.440 672 G N -0.035 108.813 108.800 0.081 0.000 2.534 672 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.217 672 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.217 672 G C 0.579 175.532 174.900 0.089 0.000 1.128 672 G CA 0.482 45.630 45.100 0.079 0.000 0.784 672 G HN 0.323 nan 8.290 nan 0.000 0.542 673 D N 0.197 120.660 120.400 0.104 0.000 2.355 673 D HA 0.072 4.712 4.640 -0.001 0.000 0.218 673 D C 1.437 177.800 176.300 0.105 0.000 1.004 673 D CA 0.095 54.173 54.000 0.130 0.000 0.880 673 D CB 0.118 41.025 40.800 0.178 0.000 0.911 673 D HN 0.172 nan 8.370 nan 0.000 0.528 674 S N -0.524 115.232 115.700 0.093 0.000 2.558 674 S HA 0.264 4.734 4.470 -0.001 0.000 0.293 674 S C 1.498 176.159 174.600 0.103 0.000 1.292 674 S CA 0.929 59.199 58.200 0.117 0.000 1.063 674 S CB 0.284 63.592 63.200 0.181 0.000 0.831 674 S HN 0.485 nan 8.310 nan 0.000 0.499 675 G N 3.046 111.928 108.800 0.137 0.000 2.176 675 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.253 675 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.253 675 G C 0.528 175.516 174.900 0.146 0.000 0.979 675 G CA 0.131 45.310 45.100 0.131 0.000 0.641 675 G HN 1.310 nan 8.290 nan 0.000 0.530 676 G N 0.363 109.253 108.800 0.149 0.000 2.544 676 G HA2 0.509 4.468 3.960 -0.001 0.000 0.242 676 G HA3 0.509 4.468 3.960 -0.001 0.000 0.242 676 G C -2.126 172.876 174.900 0.170 0.000 1.247 676 G CA -0.433 44.774 45.100 0.178 0.000 0.840 676 G HN 0.247 nan 8.290 nan 0.000 0.578 677 P HA 0.155 nan 4.420 nan 0.000 0.276 677 P C -0.405 176.944 177.300 0.082 0.000 1.235 677 P CA -0.585 62.585 63.100 0.117 0.000 0.772 677 P CB 1.224 32.992 31.700 0.113 0.000 0.871 678 L N 5.688 126.903 121.223 -0.013 0.000 2.302 678 L HA 0.353 4.692 4.340 -0.001 0.000 0.285 678 L C -0.680 176.155 176.870 -0.059 0.000 1.090 678 L CA -0.049 54.735 54.840 -0.094 0.000 0.866 678 L CB -0.902 40.979 42.059 -0.296 0.000 1.244 678 L HN 0.245 nan 8.230 nan 0.000 0.435 679 I N 4.588 125.148 120.570 -0.017 0.000 2.498 679 I HA 0.385 4.554 4.170 -0.001 0.000 0.301 679 I C -0.467 175.642 176.117 -0.012 0.000 0.984 679 I CA -0.989 60.291 61.300 -0.032 0.000 1.204 679 I CB 1.800 39.788 38.000 -0.020 0.000 1.362 679 I HN 0.116 nan 8.210 nan 0.000 0.471 680 V N 4.282 124.172 119.914 -0.040 0.000 2.304 680 V HA 0.135 4.254 4.120 -0.001 0.000 0.278 680 V C -0.277 175.752 176.094 -0.108 0.000 1.018 680 V CA -0.627 61.637 62.300 -0.060 0.000 0.814 680 V CB 0.708 32.494 31.823 -0.063 0.000 1.021 680 V HN 0.619 nan 8.190 nan 0.000 0.440 681 H N 5.400 124.343 119.070 -0.212 0.000 3.089 681 H HA 0.424 4.979 4.556 -0.002 0.000 0.262 681 H C -0.153 174.994 175.328 -0.302 0.000 1.160 681 H CA 0.489 56.303 56.048 -0.389 0.000 1.482 681 H CB 0.139 29.663 29.762 -0.397 0.000 1.511 681 H HN 0.568 nan 8.280 nan 0.000 0.483 682 K N 3.795 123.858 120.400 -0.561 0.000 2.464 682 K HA 0.325 4.644 4.320 -0.001 0.000 0.253 682 K C -0.194 176.148 176.600 -0.429 0.000 0.933 682 K CA -1.181 54.875 56.287 -0.386 0.000 0.801 682 K CB 1.932 34.303 32.500 -0.215 0.000 1.271 682 K HN 0.573 nan 8.250 nan 0.000 0.430 683 R N 0.405 120.723 120.500 -0.302 0.000 3.641 683 R HA -0.173 4.167 4.340 -0.001 0.000 0.286 683 R C -0.674 175.449 176.300 -0.296 0.000 1.153 683 R CA 0.928 56.890 56.100 -0.230 0.000 0.775 683 R CB -3.157 27.040 30.300 -0.173 0.000 1.215 683 R HN 0.982 nan 8.270 nan 0.000 0.474 684 S N -1.502 113.925 115.700 -0.454 0.000 3.561 684 S HA -0.215 4.254 4.470 -0.001 0.000 0.318 684 S C 0.231 174.543 174.600 -0.480 0.000 1.181 684 S CA 1.672 59.620 58.200 -0.421 0.000 0.916 684 S CB -0.511 62.608 63.200 -0.135 0.000 0.966 684 S HN 0.439 nan 8.310 nan 0.000 0.550 685 R N -0.657 119.422 120.500 -0.702 0.000 2.854 685 R HA 0.700 5.039 4.340 -0.001 0.000 0.271 685 R C -0.918 174.960 176.300 -0.702 0.000 0.994 685 R CA -0.661 55.155 56.100 -0.474 0.000 0.945 685 R CB 0.569 30.706 30.300 -0.270 0.000 1.194 685 R HN 0.165 nan 8.270 nan 0.000 0.476 686 F N 2.029 121.834 119.950 -0.241 0.000 2.403 686 F HA 0.441 4.967 4.527 -0.001 0.000 0.355 686 F C 0.145 175.740 175.800 -0.342 0.000 1.119 686 F CA -0.748 57.060 58.000 -0.320 0.000 1.007 686 F CB 1.215 39.879 39.000 -0.560 0.000 1.194 686 F HN 0.055 nan 8.300 nan 0.000 0.443 687 I N 3.210 123.694 120.570 -0.142 0.000 2.362 687 I HA 0.250 4.420 4.170 -0.001 0.000 0.289 687 I C -0.168 175.874 176.117 -0.125 0.000 0.994 687 I CA -0.789 60.430 61.300 -0.135 0.000 1.158 687 I CB 1.451 39.391 38.000 -0.100 0.000 1.315 687 I HN 0.627 nan 8.210 nan 0.000 0.451 688 Q N 4.898 124.611 119.800 -0.146 0.000 2.288 688 Q HA 0.341 4.680 4.340 -0.001 0.000 0.258 688 Q C 0.340 176.300 176.000 -0.067 0.000 0.957 688 Q CA -0.195 55.540 55.803 -0.113 0.000 0.919 688 Q CB 1.435 30.103 28.738 -0.118 0.000 1.185 688 Q HN 0.689 nan 8.270 nan 0.000 0.408 689 V N 0.460 120.360 119.914 -0.024 0.000 3.548 689 V HA 0.587 4.706 4.120 -0.001 0.000 0.279 689 V C 0.342 176.466 176.094 0.049 0.000 1.446 689 V CA 0.514 62.841 62.300 0.044 0.000 1.023 689 V CB 0.645 32.557 31.823 0.148 0.000 0.820 689 V HN 0.620 nan 8.190 nan 0.000 0.438 690 G N -0.501 108.301 108.800 0.004 0.000 2.695 690 G HA2 0.631 4.590 3.960 -0.001 0.000 0.290 690 G HA3 0.631 4.590 3.960 -0.001 0.000 0.290 690 G C -1.917 173.004 174.900 0.034 0.000 1.410 690 G CA -0.523 44.588 45.100 0.019 0.000 0.844 690 G HN 0.319 nan 8.290 nan 0.000 0.478 691 V N 1.167 121.142 119.914 0.103 0.000 2.525 691 V HA 0.326 4.446 4.120 -0.001 0.000 0.299 691 V C 0.227 176.467 176.094 0.244 0.000 1.034 691 V CA -0.604 61.785 62.300 0.147 0.000 0.863 691 V CB 1.546 33.452 31.823 0.138 0.000 0.999 691 V HN 0.701 nan 8.190 nan 0.000 0.423 692 I N 3.486 124.229 120.570 0.289 0.000 2.845 692 I HA -0.056 4.113 4.170 -0.001 0.000 0.290 692 I C 1.334 177.544 176.117 0.156 0.000 1.202 692 I CA 0.878 62.337 61.300 0.265 0.000 1.406 692 I CB 0.627 38.705 38.000 0.130 0.000 1.383 692 I HN 0.812 nan 8.210 nan 0.000 0.549 693 S N 8.016 123.742 115.700 0.045 0.000 2.583 693 S HA 0.248 4.717 4.470 -0.001 0.000 0.203 693 S C -0.274 174.285 174.600 -0.068 0.000 0.952 693 S CA -0.162 58.121 58.200 0.139 0.000 0.887 693 S CB 0.489 63.871 63.200 0.305 0.000 0.857 693 S HN 0.708 nan 8.310 nan 0.000 0.611 694 W N 0.370 121.447 121.300 -0.372 0.000 3.118 694 W HA 0.724 5.383 4.660 -0.001 0.000 0.328 694 W C -0.548 175.836 176.519 -0.226 0.000 1.239 694 W CA -1.088 55.959 57.345 -0.496 0.000 1.176 694 W CB 0.428 29.293 29.460 -0.991 0.000 1.433 694 W HN 0.419 nan 8.180 nan 0.000 0.562 695 G N 0.267 109.067 108.800 0.000 0.000 2.498 695 G HA2 0.482 4.441 3.960 -0.001 0.000 0.312 695 G HA3 0.482 4.441 3.960 -0.001 0.000 0.312 695 G C -0.252 174.755 174.900 0.178 0.000 1.230 695 G CA -0.674 44.388 45.100 -0.064 0.000 0.968 695 G HN 0.363 nan 8.290 nan 0.000 0.481 696 V N 0.225 120.211 119.914 0.121 0.000 2.283 696 V HA 0.001 4.120 4.120 -0.001 0.000 0.243 696 V C 0.928 177.145 176.094 0.205 0.000 1.039 696 V CA 1.016 63.469 62.300 0.254 0.000 1.016 696 V CB -0.257 31.711 31.823 0.242 0.000 0.650 696 V HN 0.350 nan 8.190 nan 0.000 0.449 697 V N 1.201 121.177 119.914 0.104 0.000 2.409 697 V HA 0.349 4.469 4.120 -0.001 0.000 0.291 697 V C -0.718 175.404 176.094 0.047 0.000 1.020 697 V CA -0.809 61.537 62.300 0.077 0.000 0.848 697 V CB 1.525 33.353 31.823 0.007 0.000 0.990 697 V HN 0.361 nan 8.190 nan 0.000 0.430 698 D N 3.856 124.296 120.400 0.066 0.000 2.363 698 D HA 0.103 4.742 4.640 -0.001 0.000 0.263 698 D C 0.783 177.106 176.300 0.038 0.000 1.258 698 D CA 0.134 54.166 54.000 0.054 0.000 0.907 698 D CB 1.571 42.411 40.800 0.067 0.000 1.107 698 D HN 0.449 nan 8.370 nan 0.000 0.495 699 V N 1.423 121.354 119.914 0.029 0.000 3.483 699 V HA 0.325 4.444 4.120 -0.001 0.000 0.301 699 V C 0.083 176.198 176.094 0.034 0.000 1.389 699 V CA -0.464 61.851 62.300 0.024 0.000 1.101 699 V CB -0.637 31.194 31.823 0.013 0.000 0.971 699 V HN 0.509 nan 8.190 nan 0.000 0.434 700 c N 1.142 119.767 118.600 0.043 0.000 2.364 700 c HA 0.631 5.200 4.570 -0.001 0.000 0.324 700 c C 0.428 174.548 174.090 0.050 0.000 1.234 700 c CA -0.625 55.733 56.329 0.048 0.000 1.417 700 c CB 1.191 43.736 42.510 0.058 0.000 2.101 700 c HN 0.539 nan 8.230 nan 0.000 0.466 701 K N 2.043 122.471 120.400 0.046 0.000 2.972 701 K HA 0.167 4.486 4.320 -0.001 0.000 0.209 701 K C 0.058 176.686 176.600 0.047 0.000 1.128 701 K CA -0.236 56.079 56.287 0.047 0.000 1.024 701 K CB 0.116 32.641 32.500 0.042 0.000 0.754 701 K HN 0.655 nan 8.250 nan 0.000 0.454 702 N N 1.435 120.164 118.700 0.049 0.000 2.713 702 N HA -0.272 4.467 4.740 -0.001 0.000 0.251 702 N C 0.557 176.089 175.510 0.035 0.000 1.117 702 N CA 1.571 54.649 53.050 0.046 0.000 0.770 702 N CB -0.904 37.616 38.487 0.054 0.000 1.137 702 N HN 0.632 nan 8.380 nan 0.000 0.566 703 Q N -0.662 119.157 119.800 0.032 0.000 2.341 703 Q HA 0.244 4.583 4.340 -0.001 0.000 0.173 703 Q C -0.500 175.514 176.000 0.022 0.000 0.659 703 Q CA 0.259 56.077 55.803 0.025 0.000 0.776 703 Q CB 0.782 29.534 28.738 0.024 0.000 1.108 703 Q HN 0.253 nan 8.270 nan 0.000 0.538 704 K N 0.083 120.496 120.400 0.023 0.000 2.439 704 K HA 0.483 4.802 4.320 -0.001 0.000 0.260 704 K C -1.172 175.442 176.600 0.023 0.000 1.032 704 K CA -0.975 55.325 56.287 0.020 0.000 0.882 704 K CB 1.479 33.989 32.500 0.016 0.000 1.420 704 K HN 0.017 nan 8.250 nan 0.000 0.455 705 R N 1.714 122.227 120.500 0.021 0.000 2.490 705 R HA 0.028 4.368 4.340 -0.001 0.000 0.280 705 R C 0.964 177.274 176.300 0.017 0.000 1.077 705 R CA 0.049 56.163 56.100 0.023 0.000 1.065 705 R CB 0.860 31.174 30.300 0.023 0.000 1.003 705 R HN 0.694 nan 8.270 nan 0.000 0.470 706 Q N 2.800 122.610 119.800 0.016 0.000 2.096 706 Q HA -0.272 4.067 4.340 -0.001 0.000 0.208 706 Q C 0.137 176.140 176.000 0.004 0.000 0.993 706 Q CA 2.660 58.468 55.803 0.009 0.000 0.862 706 Q CB 0.073 28.812 28.738 0.002 0.000 0.915 706 Q HN 0.724 nan 8.270 nan 0.000 0.416 707 K N -3.009 117.393 120.400 0.003 0.000 3.658 707 K HA -0.229 4.090 4.320 -0.001 0.000 0.372 707 K C 0.099 176.695 176.600 -0.006 0.000 0.598 707 K CA 1.647 57.935 56.287 0.001 0.000 1.635 707 K CB -1.230 31.272 32.500 0.003 0.000 1.178 707 K HN 0.290 nan 8.250 nan 0.000 0.470 708 Q N 1.359 121.154 119.800 -0.010 0.000 2.640 708 Q HA 0.177 4.516 4.340 -0.001 0.000 0.389 708 Q C -0.239 175.740 176.000 -0.036 0.000 1.012 708 Q CA 0.126 55.918 55.803 -0.018 0.000 1.060 708 Q CB 0.521 29.253 28.738 -0.010 0.000 1.332 708 Q HN 0.383 nan 8.270 nan 0.000 0.418 709 V N -0.797 119.090 119.914 -0.045 0.000 2.655 709 V HA 0.331 4.450 4.120 -0.001 0.000 0.300 709 V C -2.041 173.975 176.094 -0.130 0.000 1.044 709 V CA -1.491 60.760 62.300 -0.081 0.000 1.095 709 V CB -0.355 31.427 31.823 -0.069 0.000 0.952 709 V HN 0.137 nan 8.190 nan 0.000 0.485 710 P HA 0.345 nan 4.420 nan 0.000 0.271 710 P C 0.516 177.613 177.300 -0.337 0.000 1.233 710 P CA 0.046 62.932 63.100 -0.357 0.000 0.789 710 P CB 0.664 31.879 31.700 -0.809 0.000 0.951 711 A N 0.675 123.345 122.820 -0.250 0.000 2.238 711 A HA -0.060 4.259 4.320 -0.001 0.000 0.208 711 A C 0.943 178.445 177.584 -0.137 0.000 1.177 711 A CA 0.928 52.878 52.037 -0.145 0.000 0.804 711 A CB -1.281 17.679 19.000 -0.066 0.000 0.823 711 A HN 0.816 nan 8.150 nan 0.000 0.482 712 H N -3.785 115.167 119.070 -0.196 0.000 2.674 712 H HA 0.633 5.189 4.556 -0.001 0.000 0.274 712 H C 0.513 175.761 175.328 -0.134 0.000 1.121 712 H CA 0.099 56.015 56.048 -0.220 0.000 1.132 712 H CB -0.355 29.087 29.762 -0.533 0.000 1.606 712 H HN 0.179 nan 8.280 nan 0.000 0.558 713 A N 2.600 125.228 122.820 -0.319 0.000 2.785 713 A HA 0.229 4.548 4.320 -0.001 0.000 0.294 713 A C 0.041 177.540 177.584 -0.142 0.000 1.597 713 A CA -0.571 51.350 52.037 -0.193 0.000 1.283 713 A CB -0.382 18.496 19.000 -0.203 0.000 1.088 713 A HN 0.294 nan 8.150 nan 0.000 0.568 714 R N 1.359 121.776 120.500 -0.139 0.000 2.596 714 R HA 0.536 4.876 4.340 -0.001 0.000 0.267 714 R C -1.288 174.746 176.300 -0.443 0.000 1.026 714 R CA -0.680 55.234 56.100 -0.310 0.000 1.087 714 R CB 0.784 30.832 30.300 -0.420 0.000 1.132 714 R HN 0.496 nan 8.270 nan 0.000 0.531 715 D N 0.938 120.963 120.400 -0.626 0.000 2.649 715 D HA 0.377 5.016 4.640 -0.001 0.000 0.249 715 D C -0.733 174.940 176.300 -1.044 0.000 1.112 715 D CA -0.251 53.332 54.000 -0.696 0.000 0.850 715 D CB 1.207 41.720 40.800 -0.479 0.000 1.399 715 D HN 0.152 nan 8.370 nan 0.000 0.503 716 F N 1.376 120.723 119.950 -1.005 0.000 2.492 716 F HA 0.432 4.958 4.527 -0.001 0.000 0.327 716 F C 1.051 176.344 175.800 -0.844 0.000 1.079 716 F CA -0.498 56.977 58.000 -0.875 0.000 0.967 716 F CB 1.593 39.872 39.000 -1.200 0.000 1.169 716 F HN 0.180 nan 8.300 nan 0.000 0.472 717 H N 1.961 121.094 119.070 0.106 0.000 2.906 717 H HA 0.516 5.071 4.556 -0.001 0.000 0.337 717 H C -1.030 174.315 175.328 0.028 0.000 1.257 717 H CA -0.785 55.295 56.048 0.053 0.000 1.192 717 H CB 2.246 32.002 29.762 -0.011 0.000 1.912 717 H HN 0.205 nan 8.280 nan 0.000 0.573 718 I N 2.360 122.983 120.570 0.088 0.000 2.354 718 I HA 0.036 4.205 4.170 -0.001 0.000 0.286 718 I C 0.439 176.544 176.117 -0.020 0.000 1.007 718 I CA -0.743 60.490 61.300 -0.113 0.000 1.167 718 I CB 0.344 38.267 38.000 -0.128 0.000 1.320 718 I HN 0.406 nan 8.210 nan 0.000 0.458 719 N N 6.302 124.987 118.700 -0.024 0.000 2.434 719 N HA 0.056 4.795 4.740 -0.001 0.000 0.268 719 N C 0.952 176.513 175.510 0.084 0.000 1.256 719 N CA 0.225 53.323 53.050 0.080 0.000 0.914 719 N CB 0.831 39.384 38.487 0.110 0.000 1.088 719 N HN 0.529 nan 8.380 nan 0.000 0.478 720 L N 3.025 124.297 121.223 0.083 0.000 2.201 720 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 720 L C 1.298 178.158 176.870 -0.018 0.000 1.105 720 L CA 0.772 55.614 54.840 0.004 0.000 0.775 720 L CB -0.329 41.671 42.059 -0.097 0.000 0.913 720 L HN 0.513 nan 8.230 nan 0.000 0.440 721 F N -0.189 119.796 119.950 0.059 0.000 2.546 721 F HA -0.148 4.379 4.527 -0.001 0.000 0.298 721 F C 2.477 178.322 175.800 0.075 0.000 1.120 721 F CA 0.764 58.804 58.000 0.066 0.000 1.456 721 F CB -0.129 38.898 39.000 0.046 0.000 1.088 721 F HN 0.147 nan 8.300 nan 0.000 0.572 722 Q N -0.429 119.498 119.800 0.211 0.000 2.391 722 Q HA 0.100 4.439 4.340 -0.001 0.000 0.211 722 Q C 1.725 177.852 176.000 0.211 0.000 0.908 722 Q CA 0.827 56.730 55.803 0.167 0.000 0.920 722 Q CB 0.253 29.029 28.738 0.063 0.000 1.056 722 Q HN 0.417 nan 8.270 nan 0.000 0.523 723 V N -2.284 117.750 119.914 0.200 0.000 3.099 723 V HA 0.209 4.328 4.120 -0.001 0.000 0.356 723 V C 1.538 177.797 176.094 0.274 0.000 1.364 723 V CA 0.068 62.550 62.300 0.304 0.000 1.229 723 V CB -0.826 31.175 31.823 0.296 0.000 1.227 723 V HN 0.042 nan 8.190 nan 0.000 0.493 724 L N 0.160 121.482 121.223 0.166 0.000 2.017 724 L HA 0.004 4.344 4.340 -0.001 0.000 0.208 724 L C 0.098 176.978 176.870 0.017 0.000 1.073 724 L CA 1.858 56.738 54.840 0.067 0.000 0.745 724 L CB -1.720 40.380 42.059 0.068 0.000 0.894 724 L HN 0.365 nan 8.230 nan 0.000 0.432 725 P HA -0.229 nan 4.420 nan 0.000 0.217 725 P C 1.105 178.424 177.300 0.032 0.000 1.148 725 P CA 1.420 64.543 63.100 0.038 0.000 0.828 725 P CB -0.093 31.661 31.700 0.090 0.000 0.783 726 W N -0.043 121.217 121.300 -0.066 0.000 2.453 726 W HA 0.004 4.663 4.660 -0.001 0.000 0.289 726 W C 1.826 178.242 176.519 -0.172 0.000 1.215 726 W CA 0.977 58.260 57.345 -0.104 0.000 1.297 726 W CB -0.752 28.697 29.460 -0.019 0.000 1.113 726 W HN -0.227 nan 8.180 nan 0.000 0.551 727 L N 0.785 121.863 121.223 -0.242 0.000 2.072 727 L HA -0.150 4.189 4.340 -0.001 0.000 0.205 727 L C 2.576 178.941 176.870 -0.842 0.000 1.079 727 L CA 1.651 56.159 54.840 -0.553 0.000 0.752 727 L CB -0.960 40.942 42.059 -0.261 0.000 0.906 727 L HN -0.102 nan 8.230 nan 0.000 0.436 728 K N 0.424 120.311 120.400 -0.854 0.000 2.147 728 K HA -0.235 4.084 4.320 -0.001 0.000 0.205 728 K C 2.023 178.257 176.600 -0.609 0.000 1.049 728 K CA 1.470 57.125 56.287 -1.052 0.000 0.936 728 K CB 0.125 32.251 32.500 -0.623 0.000 0.722 728 K HN 0.308 nan 8.250 nan 0.000 0.446 729 E N 0.095 120.015 120.200 -0.466 0.000 2.086 729 E HA -0.107 4.242 4.350 -0.001 0.000 0.190 729 E C 1.414 177.774 176.600 -0.400 0.000 0.975 729 E CA 0.650 56.847 56.400 -0.339 0.000 0.813 729 E CB 0.292 29.849 29.700 -0.240 0.000 0.768 729 E HN 0.074 nan 8.360 nan 0.000 0.457 730 K N 0.219 120.260 120.400 -0.599 0.000 2.296 730 K HA 0.025 4.344 4.320 -0.001 0.000 0.200 730 K C 1.263 177.412 176.600 -0.750 0.000 1.048 730 K CA 0.546 56.427 56.287 -0.676 0.000 0.966 730 K CB 0.247 32.163 32.500 -0.973 0.000 0.754 730 K HN 0.273 nan 8.250 nan 0.000 0.466 731 L N 1.819 122.659 121.223 -0.639 0.000 3.141 731 L HA 0.158 4.497 4.340 -0.001 0.000 0.267 731 L C 1.720 178.495 176.870 -0.158 0.000 1.281 731 L CA -0.190 54.387 54.840 -0.439 0.000 1.037 731 L CB 0.187 42.076 42.059 -0.282 0.000 1.407 731 L HN 0.103 nan 8.230 nan 0.000 0.566 732 Q N -1.173 118.517 119.800 -0.184 0.000 2.230 732 Q HA -0.088 4.252 4.340 -0.001 0.000 0.202 732 Q C -0.179 175.819 176.000 -0.003 0.000 0.963 732 Q CA 1.016 56.777 55.803 -0.070 0.000 0.866 732 Q CB 0.038 28.718 28.738 -0.097 0.000 0.931 732 Q HN 0.282 nan 8.270 nan 0.000 0.452 733 D N 0.751 121.146 120.400 -0.008 0.000 3.058 733 D HA 0.129 4.768 4.640 -0.001 0.000 0.272 733 D C -0.095 176.255 176.300 0.083 0.000 1.350 733 D CA 0.010 54.029 54.000 0.031 0.000 0.863 733 D CB 0.636 41.444 40.800 0.014 0.000 1.064 733 D HN 0.216 nan 8.370 nan 0.000 0.488 734 E N -0.019 120.242 120.200 0.102 0.000 2.676 734 E HA 0.001 4.351 4.350 -0.001 0.000 0.225 734 E C -0.121 176.549 176.600 0.116 0.000 0.944 734 E CA -0.075 56.416 56.400 0.150 0.000 1.156 734 E CB 0.753 30.560 29.700 0.178 0.000 1.117 734 E HN 0.031 nan 8.360 nan 0.000 0.523 735 D N 0.774 121.225 120.400 0.085 0.000 2.723 735 D HA -0.195 4.445 4.640 -0.001 0.000 0.236 735 D C 0.337 176.643 176.300 0.010 0.000 1.138 735 D CA 0.353 54.384 54.000 0.052 0.000 0.676 735 D CB -1.274 39.560 40.800 0.057 0.000 1.069 735 D HN 0.264 nan 8.370 nan 0.000 0.430 736 L N -0.408 120.805 121.223 -0.017 0.000 2.529 736 L HA 0.255 4.594 4.340 -0.001 0.000 0.223 736 L C 1.783 178.464 176.870 -0.315 0.000 1.113 736 L CA 0.399 55.120 54.840 -0.198 0.000 0.861 736 L CB -0.120 41.746 42.059 -0.321 0.000 1.012 736 L HN 0.413 nan 8.230 nan 0.000 0.461 737 G N 1.228 109.946 108.800 -0.136 0.000 2.374 737 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.289 737 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.289 737 G C -0.219 174.587 174.900 -0.157 0.000 1.004 737 G CA -0.279 44.766 45.100 -0.091 0.000 1.292 737 G HN 0.092 nan 8.290 nan 0.000 0.502 738 F N -0.118 119.811 119.950 -0.036 0.000 2.429 738 F HA 0.478 5.004 4.527 -0.001 0.000 0.348 738 F C 1.565 177.353 175.800 -0.021 0.000 1.109 738 F CA -0.584 57.393 58.000 -0.038 0.000 1.232 738 F CB 0.666 39.634 39.000 -0.053 0.000 1.157 738 F HN 0.179 nan 8.300 nan 0.000 0.564 739 L N 2.831 124.148 121.223 0.156 0.000 2.452 739 L HA 0.246 4.585 4.340 -0.001 0.000 0.267 739 L C 1.208 178.141 176.870 0.105 0.000 1.188 739 L CA -0.346 54.553 54.840 0.099 0.000 0.821 739 L CB 0.550 42.655 42.059 0.077 0.000 1.102 739 L HN 0.887 nan 8.230 nan 0.000 0.470 740 A N 3.202 126.065 122.820 0.072 0.000 1.839 740 A HA 0.281 4.601 4.320 -0.001 0.000 0.213 740 A C 1.138 178.759 177.584 0.061 0.000 1.274 740 A CA 1.105 53.178 52.037 0.059 0.000 0.608 740 A CB -0.779 18.247 19.000 0.044 0.000 0.920 740 A HN 1.243 nan 8.150 nan 0.000 0.465 741 A N 0.000 122.854 122.820 0.057 0.000 2.254 741 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 741 A CA 0.000 52.073 52.037 0.061 0.000 0.836 741 A CB 0.000 19.047 19.000 0.078 0.000 0.831 741 A HN 0.000 nan 8.150 nan 0.000 0.486