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 2z8s_1_B DATA FIRST_RESID 38 DATA SEQUENCE AARQMEALNR GLVAVKTDGG IFVSWRFLGT ENASVLFNVY RDGQKLNAAP DATA SEQUENCE VKTTNYVDKN GSAGSTYTVR AVVNGTEQPA SEKASVWAQP YHSVPLDKPA DATA SEQUENCE GGTTPKGESY TYSANDASVG DVDGDGQYEL ILKWDPSNSK DNSQDGYTGD DATA SEQUENCE VLIDAYKLDG TKLWRINLGK NIRAGAHYTQ FMVYDLDGDG KAEVAMKTAD DATA SEQUENCE GTKDGTGKVI GNANADYRNE QGRVLSGPEY LTVFQGSTGK ELVTANFEPA DATA SEQUENCE RGNVSDWGDS YGNRVDRFLA GIAYLDGQRP SLIMTRGYYA KTMLVAYNFR DATA SEQUENCE DGKLSKLWTL DSSKSGNEAF AGQGNHNLSI ADVDGDGKDE IIFGSMAVDH DATA SEQUENCE DGKGMYSTGL GHGDALHTGD LDPGRPGLEV FQVHEDKNAK YGLSFRDAAT DATA SEQUENCE GKILWGVYAG KDVGRGMAAD IDPRYPGQEV WANGSLYSAK GVKIGSGVPS DATA SEQUENCE STNFGIWWDG DLLREQLDSN RIDKWDYQNG VSKNMLTASG AAANNGTKAT DATA SEQUENCE PTLQADLLGD WREEVVWRTE DSSALRIYTT TIPTEHRLYT LMHDPVYRLG DATA SEQUENCE IAWQNIAYNQ PPHTSFFLGD GMAEQPKPNM YTP 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 38 A HA 0.000 nan 4.320 nan 0.000 0.244 38 A C 0.000 177.611 177.584 0.045 0.000 1.274 38 A CA 0.000 52.056 52.037 0.032 0.000 0.836 38 A CB 0.000 19.009 19.000 0.015 0.000 0.831 39 A N 1.049 123.913 122.820 0.073 0.000 2.462 39 A HA 0.570 4.890 4.320 -0.000 0.000 0.243 39 A C 0.323 178.019 177.584 0.187 0.000 1.076 39 A CA 0.211 52.314 52.037 0.110 0.000 0.773 39 A CB -0.068 19.030 19.000 0.163 0.000 1.010 39 A HN 0.509 nan 8.150 nan 0.000 0.493 40 R N 0.943 121.472 120.500 0.048 0.000 2.428 40 R HA 0.238 4.578 4.340 -0.000 0.000 0.294 40 R C 0.095 176.254 176.300 -0.236 0.000 1.000 40 R CA -0.542 55.526 56.100 -0.054 0.000 0.960 40 R CB 1.121 31.218 30.300 -0.339 0.000 1.076 40 R HN 0.902 nan 8.270 nan 0.000 0.475 41 Q N 3.913 123.570 119.800 -0.238 0.000 2.255 41 Q HA 0.036 4.376 4.340 -0.000 0.000 0.280 41 Q C -0.753 175.167 176.000 -0.133 0.000 1.068 41 Q CA 0.738 56.174 55.803 -0.611 0.000 0.911 41 Q CB 0.558 29.201 28.738 -0.158 0.000 1.157 41 Q HN 0.381 nan 8.270 nan 0.000 0.380 42 M N 2.689 122.148 119.600 -0.235 0.000 2.667 42 M HA 0.344 4.824 4.480 -0.000 0.000 0.286 42 M C -0.930 175.356 176.300 -0.023 0.000 1.270 42 M CA -0.789 54.487 55.300 -0.041 0.000 0.826 42 M CB 2.031 34.561 32.600 -0.117 0.000 1.743 42 M HN 0.565 nan 8.290 nan 0.000 0.460 43 E N 1.042 121.309 120.200 0.110 0.000 2.313 43 E HA 0.415 4.765 4.350 -0.000 0.000 0.276 43 E C -0.205 176.473 176.600 0.130 0.000 1.031 43 E CA -0.225 56.227 56.400 0.087 0.000 0.857 43 E CB 1.002 30.746 29.700 0.072 0.000 1.040 43 E HN 0.644 nan 8.360 nan 0.000 0.408 44 A N 5.138 127.989 122.820 0.051 0.000 2.655 44 A HA 0.136 4.456 4.320 -0.000 0.000 0.297 44 A C -0.241 177.360 177.584 0.028 0.000 1.461 44 A CA -0.017 52.054 52.037 0.057 0.000 1.146 44 A CB -0.619 18.403 19.000 0.037 0.000 1.108 44 A HN 0.531 nan 8.150 nan 0.000 0.550 45 L N 2.555 123.816 121.223 0.063 0.000 2.357 45 L HA 0.268 4.608 4.340 -0.000 0.000 0.273 45 L C 0.823 177.697 176.870 0.007 0.000 1.080 45 L CA -0.972 53.843 54.840 -0.042 0.000 0.803 45 L CB 0.917 42.915 42.059 -0.102 0.000 1.174 45 L HN 0.872 nan 8.230 nan 0.000 0.443 46 N N 1.369 120.055 118.700 -0.023 0.000 2.290 46 N HA -0.032 4.708 4.740 -0.000 0.000 0.269 46 N C 0.683 176.222 175.510 0.048 0.000 1.295 46 N CA -0.405 52.656 53.050 0.018 0.000 0.932 46 N CB 0.275 38.766 38.487 0.007 0.000 1.128 46 N HN 0.414 nan 8.380 nan 0.000 0.532 47 R N -1.289 119.250 120.500 0.065 0.000 2.241 47 R HA 0.071 4.411 4.340 -0.000 0.000 0.224 47 R C 0.969 177.335 176.300 0.110 0.000 1.101 47 R CA 1.193 57.355 56.100 0.102 0.000 0.995 47 R CB -1.212 29.127 30.300 0.064 0.000 0.870 47 R HN 0.928 nan 8.270 nan 0.000 0.463 48 G N 0.494 109.337 108.800 0.071 0.000 2.283 48 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.280 48 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.280 48 G C -0.160 174.792 174.900 0.086 0.000 1.029 48 G CA 0.449 45.593 45.100 0.074 0.000 0.840 48 G HN 0.393 nan 8.290 nan 0.000 0.505 49 L N 0.744 122.017 121.223 0.083 0.000 2.513 49 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 49 L C 0.652 177.525 176.870 0.006 0.000 1.187 49 L CA 0.070 54.954 54.840 0.073 0.000 0.895 49 L CB 0.921 42.994 42.059 0.023 0.000 1.147 49 L HN 0.642 nan 8.230 nan 0.000 0.483 50 V N 2.676 122.548 119.914 -0.070 0.000 2.864 50 V HA 1.015 5.135 4.120 -0.000 0.000 0.314 50 V C -0.250 175.662 176.094 -0.304 0.000 1.073 50 V CA -0.469 61.663 62.300 -0.279 0.000 0.956 50 V CB 1.286 32.788 31.823 -0.536 0.000 1.023 50 V HN 1.064 nan 8.190 nan 0.000 0.435 51 A N 2.672 125.248 122.820 -0.407 0.000 2.381 51 A HA 0.886 5.206 4.320 -0.000 0.000 0.299 51 A C -1.055 176.340 177.584 -0.316 0.000 1.049 51 A CA -0.593 51.242 52.037 -0.336 0.000 0.715 51 A CB 1.845 20.672 19.000 -0.288 0.000 1.222 51 A HN 1.235 nan 8.150 nan 0.000 0.428 52 V N 2.458 122.266 119.914 -0.176 0.000 2.656 52 V HA 0.392 4.512 4.120 -0.000 0.000 0.307 52 V C 0.204 176.322 176.094 0.039 0.000 1.051 52 V CA -0.963 61.300 62.300 -0.062 0.000 0.893 52 V CB 2.098 33.866 31.823 -0.091 0.000 0.999 52 V HN 0.875 nan 8.190 nan 0.000 0.426 53 K N 2.551 123.001 120.400 0.084 0.000 2.237 53 K HA 0.165 4.485 4.320 -0.000 0.000 0.283 53 K C 0.050 176.689 176.600 0.065 0.000 1.080 53 K CA 0.191 56.525 56.287 0.078 0.000 0.965 53 K CB 0.285 32.834 32.500 0.081 0.000 1.098 53 K HN 0.803 nan 8.250 nan 0.000 0.434 54 T N 2.938 117.529 114.554 0.063 0.000 2.899 54 T HA 0.017 4.367 4.350 -0.000 0.000 0.284 54 T C -0.645 174.082 174.700 0.045 0.000 1.004 54 T CA -0.414 61.715 62.100 0.049 0.000 1.043 54 T CB 0.765 69.668 68.868 0.060 0.000 1.013 54 T HN 0.494 nan 8.240 nan 0.000 0.518 55 D N 0.778 121.201 120.400 0.038 0.000 2.352 55 D HA 0.477 5.117 4.640 -0.000 0.000 0.245 55 D C 0.914 177.230 176.300 0.027 0.000 1.224 55 D CA 1.099 55.119 54.000 0.034 0.000 0.879 55 D CB -0.264 40.556 40.800 0.033 0.000 1.057 55 D HN 0.746 nan 8.370 nan 0.000 0.491 56 G N 1.952 110.767 108.800 0.026 0.000 2.227 56 G HA2 0.182 4.142 3.960 -0.000 0.000 0.168 56 G HA3 0.182 4.142 3.960 -0.000 0.000 0.168 56 G C 0.552 175.462 174.900 0.018 0.000 1.006 56 G CA -0.235 44.876 45.100 0.018 0.000 0.684 56 G HN 1.093 nan 8.290 nan 0.000 0.489 57 G N -0.853 107.965 108.800 0.031 0.000 2.352 57 G HA2 0.475 4.435 3.960 -0.000 0.000 0.283 57 G HA3 0.475 4.435 3.960 -0.000 0.000 0.283 57 G C -1.763 173.167 174.900 0.050 0.000 1.308 57 G CA -0.277 44.843 45.100 0.034 0.000 0.892 57 G HN 0.731 nan 8.290 nan 0.000 0.504 58 I N 1.112 121.709 120.570 0.045 0.000 2.330 58 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 58 I C -0.308 175.785 176.117 -0.040 0.000 1.001 58 I CA -0.849 60.462 61.300 0.018 0.000 1.193 58 I CB 0.778 38.795 38.000 0.027 0.000 1.345 58 I HN 0.473 nan 8.210 nan 0.000 0.461 59 F N 7.657 127.520 119.950 -0.146 0.000 2.467 59 F HA 0.394 4.921 4.527 -0.000 0.000 0.362 59 F C -0.209 175.453 175.800 -0.231 0.000 1.090 59 F CA 0.008 57.904 58.000 -0.173 0.000 1.202 59 F CB 0.768 39.664 39.000 -0.173 0.000 1.113 59 F HN 0.148 nan 8.300 nan 0.000 0.541 60 V N 5.924 125.386 119.914 -0.754 0.000 2.483 60 V HA 0.487 4.607 4.120 -0.000 0.000 0.297 60 V C -0.748 175.030 176.094 -0.527 0.000 1.027 60 V CA -0.494 61.519 62.300 -0.479 0.000 0.855 60 V CB 1.565 33.190 31.823 -0.330 0.000 0.995 60 V HN 0.889 nan 8.190 nan 0.000 0.424 61 S N 3.678 119.213 115.700 -0.274 0.000 2.599 61 S HA 0.940 5.410 4.470 -0.000 0.000 0.287 61 S C -1.327 173.277 174.600 0.007 0.000 1.105 61 S CA -0.792 57.228 58.200 -0.301 0.000 0.899 61 S CB 2.335 65.385 63.200 -0.250 0.000 1.100 61 S HN 1.035 nan 8.310 nan 0.000 0.482 62 W N -0.200 120.961 121.300 -0.232 0.000 3.118 62 W HA 0.708 5.368 4.660 -0.000 0.000 0.328 62 W C -1.006 175.425 176.519 -0.147 0.000 1.239 62 W CA -1.258 55.968 57.345 -0.199 0.000 1.176 62 W CB 0.733 30.035 29.460 -0.263 0.000 1.433 62 W HN 0.701 nan 8.180 nan 0.000 0.562 63 R N 1.577 122.143 120.500 0.109 0.000 2.590 63 R HA 0.228 4.568 4.340 -0.000 0.000 0.274 63 R C -0.884 175.538 176.300 0.204 0.000 1.061 63 R CA -0.491 55.668 56.100 0.098 0.000 1.081 63 R CB 0.531 30.895 30.300 0.106 0.000 0.984 63 R HN 0.441 nan 8.270 nan 0.000 0.448 64 F N 4.783 124.733 119.950 -0.001 0.000 2.335 64 F HA 0.251 4.778 4.527 0.000 0.000 0.365 64 F C -0.337 175.605 175.800 0.237 0.000 1.122 64 F CA -1.325 56.725 58.000 0.083 0.000 1.151 64 F CB 0.073 38.998 39.000 -0.126 0.000 1.282 64 F HN 0.303 nan 8.300 nan 0.000 0.513 65 L N 5.322 126.725 121.223 0.300 0.000 2.461 65 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 65 L C 1.679 178.713 176.870 0.274 0.000 1.197 65 L CA 0.150 55.176 54.840 0.311 0.000 0.836 65 L CB 0.525 42.767 42.059 0.305 0.000 1.105 65 L HN 0.787 nan 8.230 nan 0.000 0.477 66 G N 0.161 109.180 108.800 0.366 0.000 2.559 66 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 66 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 66 G C 1.383 176.182 174.900 -0.168 0.000 1.126 66 G CA 0.873 45.902 45.100 -0.118 0.000 0.778 66 G HN 0.797 nan 8.290 nan 0.000 0.543 67 T N -1.415 113.120 114.554 -0.032 0.000 3.023 67 T HA 0.127 4.477 4.350 -0.000 0.000 0.266 67 T C 0.910 175.643 174.700 0.056 0.000 1.093 67 T CA 0.394 62.493 62.100 -0.002 0.000 1.129 67 T CB 0.129 69.022 68.868 0.043 0.000 0.899 67 T HN 0.430 nan 8.240 nan 0.000 0.491 68 E N 2.126 122.398 120.200 0.120 0.000 2.280 68 E HA 0.438 4.788 4.350 -0.000 0.000 0.261 68 E C 0.070 176.813 176.600 0.238 0.000 1.088 68 E CA -0.833 55.684 56.400 0.194 0.000 0.915 68 E CB 0.627 30.523 29.700 0.327 0.000 1.141 68 E HN 0.595 nan 8.360 nan 0.000 0.433 69 N N -1.061 117.823 118.700 0.308 0.000 3.157 69 N HA 0.280 5.020 4.740 -0.000 0.000 0.291 69 N C 0.306 176.054 175.510 0.397 0.000 1.515 69 N CA -0.404 52.862 53.050 0.360 0.000 0.807 69 N CB 1.113 39.717 38.487 0.196 0.000 1.672 69 N HN 0.390 nan 8.380 nan 0.000 0.592 70 A N 0.634 123.636 122.820 0.303 0.000 1.986 70 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 70 A C 2.226 179.846 177.584 0.060 0.000 1.171 70 A CA 2.622 54.766 52.037 0.178 0.000 0.640 70 A CB -1.241 17.829 19.000 0.117 0.000 0.811 70 A HN 0.810 nan 8.150 nan 0.000 0.451 71 S N -0.023 115.712 115.700 0.058 0.000 2.365 71 S HA -0.116 4.354 4.470 -0.000 0.000 0.221 71 S C 0.908 175.477 174.600 -0.051 0.000 1.037 71 S CA 0.787 58.989 58.200 0.003 0.000 1.060 71 S CB -1.638 61.568 63.200 0.010 0.000 0.974 71 S HN 0.437 nan 8.310 nan 0.000 0.427 72 V N 3.740 123.628 119.914 -0.043 0.000 2.703 72 V HA -0.030 4.090 4.120 -0.000 0.000 0.300 72 V C 0.280 176.146 176.094 -0.380 0.000 1.063 72 V CA 0.795 62.979 62.300 -0.193 0.000 1.240 72 V CB -1.297 30.466 31.823 -0.101 0.000 0.845 72 V HN 0.350 nan 8.190 nan 0.000 0.476 73 L N 5.202 126.173 121.223 -0.420 0.000 2.298 73 L HA 0.753 5.093 4.340 -0.000 0.000 0.268 73 L C -0.586 175.937 176.870 -0.579 0.000 1.010 73 L CA -0.689 53.934 54.840 -0.361 0.000 0.812 73 L CB 1.874 43.853 42.059 -0.134 0.000 1.331 73 L HN 0.400 nan 8.230 nan 0.000 0.450 74 F N -0.613 119.368 119.950 0.052 0.000 2.563 74 F HA 0.446 4.973 4.527 -0.000 0.000 0.316 74 F C -0.038 175.736 175.800 -0.042 0.000 1.076 74 F CA -0.813 57.206 58.000 0.033 0.000 0.921 74 F CB 1.705 40.797 39.000 0.154 0.000 1.209 74 F HN 0.296 nan 8.300 nan 0.000 0.462 75 N N 1.286 120.051 118.700 0.107 0.000 2.362 75 N HA 0.515 5.255 4.740 -0.000 0.000 0.298 75 N C -1.366 174.088 175.510 -0.093 0.000 1.048 75 N CA -0.454 52.579 53.050 -0.028 0.000 0.858 75 N CB 2.632 41.126 38.487 0.011 0.000 1.218 75 N HN 0.207 nan 8.380 nan 0.000 0.488 76 V N 2.615 122.323 119.914 -0.343 0.000 2.439 76 V HA 0.348 4.468 4.120 -0.000 0.000 0.282 76 V C -0.765 175.154 176.094 -0.291 0.000 1.039 76 V CA -0.535 61.560 62.300 -0.343 0.000 0.913 76 V CB 0.122 31.611 31.823 -0.556 0.000 0.983 76 V HN 0.512 nan 8.190 nan 0.000 0.460 77 Y N 3.443 123.650 120.300 -0.155 0.000 2.328 77 Y HA 0.516 5.066 4.550 0.000 0.000 0.336 77 Y C 0.529 176.323 175.900 -0.176 0.000 0.960 77 Y CA -0.639 57.383 58.100 -0.131 0.000 1.134 77 Y CB 1.529 39.913 38.460 -0.127 0.000 1.166 77 Y HN 0.494 nan 8.280 nan 0.000 0.464 78 R N 4.437 124.838 120.500 -0.164 0.000 2.230 78 R HA 0.113 4.453 4.340 -0.000 0.000 0.337 78 R C -0.848 175.295 176.300 -0.262 0.000 1.063 78 R CA -0.033 55.770 56.100 -0.496 0.000 0.935 78 R CB -0.114 29.923 30.300 -0.439 0.000 1.121 78 R HN 0.855 nan 8.270 nan 0.000 0.486 79 D N 3.805 124.064 120.400 -0.234 0.000 2.699 79 D HA -0.186 4.454 4.640 -0.000 0.000 0.239 79 D C 0.673 176.951 176.300 -0.037 0.000 1.136 79 D CA 1.376 55.306 54.000 -0.117 0.000 0.668 79 D CB -1.051 39.680 40.800 -0.114 0.000 1.060 79 D HN 1.055 nan 8.370 nan 0.000 0.429 80 G N -0.434 108.383 108.800 0.028 0.000 2.205 80 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.261 80 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.261 80 G C 0.168 175.221 174.900 0.255 0.000 0.980 80 G CA 0.223 45.388 45.100 0.108 0.000 0.632 80 G HN 0.425 nan 8.290 nan 0.000 0.533 81 Q N 0.646 120.518 119.800 0.119 0.000 2.360 81 Q HA 0.315 4.655 4.340 -0.000 0.000 0.254 81 Q C 0.350 176.181 176.000 -0.282 0.000 0.975 81 Q CA -0.360 55.431 55.803 -0.020 0.000 0.912 81 Q CB 1.299 30.000 28.738 -0.061 0.000 1.212 81 Q HN 0.459 nan 8.270 nan 0.000 0.452 82 K N 3.336 123.378 120.400 -0.597 0.000 2.453 82 K HA -0.009 4.311 4.320 -0.000 0.000 0.280 82 K C 0.682 177.007 176.600 -0.459 0.000 1.045 82 K CA 0.177 55.869 56.287 -0.991 0.000 1.059 82 K CB 0.375 32.428 32.500 -0.744 0.000 0.901 82 K HN 0.581 nan 8.250 nan 0.000 0.475 83 L N 2.977 123.950 121.223 -0.417 0.000 2.357 83 L HA 0.015 4.355 4.340 -0.000 0.000 0.211 83 L C 0.671 177.473 176.870 -0.113 0.000 1.075 83 L CA -0.157 54.569 54.840 -0.189 0.000 0.830 83 L CB -0.196 41.798 42.059 -0.109 0.000 0.996 83 L HN 0.691 nan 8.230 nan 0.000 0.467 84 N N 0.917 119.484 118.700 -0.222 0.000 2.479 84 N HA 0.185 4.925 4.740 -0.000 0.000 0.285 84 N C 0.569 176.028 175.510 -0.085 0.000 1.075 84 N CA 0.397 53.389 53.050 -0.096 0.000 0.967 84 N CB 2.049 40.451 38.487 -0.140 0.000 1.137 84 N HN -0.041 nan 8.380 nan 0.000 0.472 85 A N 2.667 125.470 122.820 -0.027 0.000 1.824 85 A HA 0.165 4.485 4.320 -0.000 0.000 0.215 85 A C 1.018 178.582 177.584 -0.034 0.000 1.209 85 A CA 1.625 53.644 52.037 -0.030 0.000 0.614 85 A CB -1.042 17.953 19.000 -0.009 0.000 0.852 85 A HN 0.920 nan 8.150 nan 0.000 0.447 86 A N -0.345 122.465 122.820 -0.016 0.000 2.303 86 A HA 0.615 4.935 4.320 -0.000 0.000 0.317 86 A C -2.573 175.004 177.584 -0.012 0.000 1.149 86 A CA -1.851 50.177 52.037 -0.015 0.000 0.822 86 A CB -0.127 18.869 19.000 -0.006 0.000 1.131 86 A HN 0.243 nan 8.150 nan 0.000 0.493 87 P HA 0.047 nan 4.420 nan 0.000 0.261 87 P C 0.038 177.355 177.300 0.030 0.000 1.158 87 P CA 0.467 63.565 63.100 -0.003 0.000 0.758 87 P CB 0.066 31.751 31.700 -0.025 0.000 0.763 88 V N 1.688 121.653 119.914 0.085 0.000 2.686 88 V HA 0.266 4.386 4.120 -0.000 0.000 0.295 88 V C 1.414 177.597 176.094 0.147 0.000 1.057 88 V CA -0.283 62.095 62.300 0.131 0.000 1.012 88 V CB 1.552 33.497 31.823 0.203 0.000 1.006 88 V HN 0.506 nan 8.190 nan 0.000 0.477 89 K N 2.080 122.525 120.400 0.074 0.000 2.005 89 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 89 K C 1.094 177.694 176.600 0.001 0.000 1.044 89 K CA 1.329 57.621 56.287 0.009 0.000 0.942 89 K CB -0.332 32.143 32.500 -0.042 0.000 0.727 89 K HN 1.006 nan 8.250 nan 0.000 0.439 90 T N -0.143 114.391 114.554 -0.033 0.000 2.795 90 T HA 0.010 4.360 4.350 -0.000 0.000 0.314 90 T C 0.762 175.281 174.700 -0.301 0.000 1.069 90 T CA 0.058 62.071 62.100 -0.146 0.000 1.071 90 T CB 1.012 69.805 68.868 -0.126 0.000 0.988 90 T HN 0.348 nan 8.240 nan 0.000 0.543 91 T N -1.106 113.072 114.554 -0.626 0.000 3.243 91 T HA 0.265 4.615 4.350 -0.000 0.000 0.264 91 T C 0.148 173.780 174.700 -1.780 0.000 1.000 91 T CA -0.947 60.234 62.100 -1.532 0.000 0.901 91 T CB -0.879 67.272 68.868 -1.194 0.000 1.083 91 T HN 0.868 nan 8.240 nan 0.000 0.559 92 N N 0.137 118.198 118.700 -1.066 0.000 2.331 92 N HA 0.383 5.123 4.740 -0.000 0.000 0.280 92 N C -2.037 173.246 175.510 -0.379 0.000 1.155 92 N CA -0.805 51.753 53.050 -0.820 0.000 0.822 92 N CB 2.036 40.165 38.487 -0.597 0.000 1.619 92 N HN 0.206 nan 8.380 nan 0.000 0.476 93 Y N 0.620 120.611 120.300 -0.514 0.000 2.399 93 Y HA 0.405 4.955 4.550 0.000 0.000 0.327 93 Y C -1.587 174.109 175.900 -0.340 0.000 1.111 93 Y CA -0.711 57.244 58.100 -0.242 0.000 1.047 93 Y CB 1.614 40.096 38.460 0.036 0.000 1.259 93 Y HN 0.423 nan 8.280 nan 0.000 0.434 94 V N 5.345 124.920 119.914 -0.566 0.000 2.461 94 V HA 0.170 4.290 4.120 -0.000 0.000 0.275 94 V C -0.512 175.294 176.094 -0.479 0.000 1.047 94 V CA -0.198 61.870 62.300 -0.386 0.000 0.955 94 V CB 1.189 32.872 31.823 -0.234 0.000 0.988 94 V HN 0.697 nan 8.190 nan 0.000 0.471 95 D N 4.097 124.413 120.400 -0.140 0.000 2.443 95 D HA 0.229 4.869 4.640 -0.000 0.000 0.221 95 D C 0.941 177.259 176.300 0.031 0.000 1.097 95 D CA -0.287 53.741 54.000 0.047 0.000 0.865 95 D CB 1.131 42.100 40.800 0.282 0.000 1.034 95 D HN 0.420 nan 8.370 nan 0.000 0.511 96 K N 2.015 122.408 120.400 -0.012 0.000 2.209 96 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 96 K C 0.485 177.106 176.600 0.035 0.000 1.048 96 K CA 0.688 56.975 56.287 -0.000 0.000 0.940 96 K CB 0.290 32.778 32.500 -0.019 0.000 0.729 96 K HN 0.339 nan 8.250 nan 0.000 0.451 97 N N 0.058 118.796 118.700 0.062 0.000 2.234 97 N HA 0.053 4.793 4.740 -0.000 0.000 0.227 97 N C 0.187 175.747 175.510 0.083 0.000 1.151 97 N CA 0.037 53.123 53.050 0.061 0.000 0.865 97 N CB 1.092 39.607 38.487 0.047 0.000 1.066 97 N HN 0.082 nan 8.380 nan 0.000 0.515 98 G N 0.017 108.895 108.800 0.130 0.000 2.651 98 G HA2 0.348 4.308 3.960 -0.000 0.000 0.260 98 G HA3 0.348 4.308 3.960 -0.000 0.000 0.260 98 G C -0.398 174.580 174.900 0.130 0.000 1.216 98 G CA -0.046 45.166 45.100 0.186 0.000 0.913 98 G HN 0.108 nan 8.290 nan 0.000 0.535 99 S N -1.648 114.136 115.700 0.140 0.000 2.546 99 S HA 0.528 4.998 4.470 -0.000 0.000 0.274 99 S C 1.132 175.803 174.600 0.119 0.000 1.121 99 S CA 0.397 58.656 58.200 0.098 0.000 0.887 99 S CB 1.490 64.724 63.200 0.057 0.000 1.094 99 S HN 1.392 nan 8.310 nan 0.000 0.474 100 A N 3.088 125.967 122.820 0.097 0.000 1.986 100 A HA 0.045 4.365 4.320 -0.000 0.000 0.220 100 A C 1.864 179.508 177.584 0.099 0.000 1.171 100 A CA 2.191 54.289 52.037 0.102 0.000 0.640 100 A CB -1.285 17.761 19.000 0.077 0.000 0.811 100 A HN 1.262 nan 8.150 nan 0.000 0.451 101 G N -1.015 107.828 108.800 0.072 0.000 2.880 101 G HA2 0.268 4.228 3.960 -0.000 0.000 0.209 101 G HA3 0.268 4.228 3.960 -0.000 0.000 0.209 101 G C 0.598 175.522 174.900 0.041 0.000 1.157 101 G CA 0.535 45.667 45.100 0.054 0.000 0.779 101 G HN 0.423 nan 8.290 nan 0.000 0.539 102 S N 0.234 115.963 115.700 0.049 0.000 2.585 102 S HA 0.435 4.905 4.470 -0.000 0.000 0.273 102 S C 0.440 175.039 174.600 -0.002 0.000 1.339 102 S CA 0.035 58.216 58.200 -0.033 0.000 1.028 102 S CB 1.276 64.423 63.200 -0.089 0.000 0.906 102 S HN 0.454 nan 8.310 nan 0.000 0.528 103 T N 0.887 115.371 114.554 -0.117 0.000 2.812 103 T HA 0.596 4.946 4.350 -0.000 0.000 0.282 103 T C -1.142 173.460 174.700 -0.162 0.000 0.990 103 T CA -0.623 61.461 62.100 -0.026 0.000 0.960 103 T CB 0.291 69.161 68.868 0.002 0.000 0.948 103 T HN 0.413 nan 8.240 nan 0.000 0.438 104 Y N 2.141 122.442 120.300 0.002 0.000 2.387 104 Y HA 0.597 5.147 4.550 -0.000 0.000 0.330 104 Y C 1.230 177.102 175.900 -0.048 0.000 1.133 104 Y CA -0.491 57.596 58.100 -0.022 0.000 1.152 104 Y CB 2.095 40.531 38.460 -0.040 0.000 1.215 104 Y HN 0.930 nan 8.280 nan 0.000 0.466 105 T N -0.438 114.158 114.554 0.069 0.000 2.906 105 T HA 0.709 5.059 4.350 -0.000 0.000 0.295 105 T C -1.388 173.274 174.700 -0.063 0.000 1.061 105 T CA -0.910 61.172 62.100 -0.029 0.000 1.000 105 T CB 1.700 70.507 68.868 -0.102 0.000 1.103 105 T HN 0.459 nan 8.240 nan 0.000 0.486 106 V N 1.392 121.190 119.914 -0.194 0.000 2.735 106 V HA 0.693 4.813 4.120 -0.000 0.000 0.310 106 V C -1.024 174.967 176.094 -0.170 0.000 1.061 106 V CA -0.963 61.146 62.300 -0.318 0.000 0.913 106 V CB 1.952 33.228 31.823 -0.912 0.000 1.005 106 V HN 0.904 nan 8.190 nan 0.000 0.428 107 R N 4.013 124.488 120.500 -0.041 0.000 2.480 107 R HA 0.705 5.044 4.340 -0.000 0.000 0.306 107 R C -0.312 176.044 176.300 0.092 0.000 0.958 107 R CA -0.484 55.614 56.100 -0.004 0.000 0.861 107 R CB 1.963 32.210 30.300 -0.089 0.000 1.171 107 R HN 0.852 nan 8.270 nan 0.000 0.445 108 A N 2.604 125.473 122.820 0.081 0.000 2.511 108 A HA 0.214 4.534 4.320 -0.000 0.000 0.242 108 A C 0.094 177.601 177.584 -0.129 0.000 1.069 108 A CA -0.067 51.914 52.037 -0.093 0.000 0.763 108 A CB 0.475 19.463 19.000 -0.020 0.000 1.001 108 A HN 0.452 nan 8.150 nan 0.000 0.498 109 V N 4.928 124.701 119.914 -0.234 0.000 2.289 109 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 109 V C 0.131 176.135 176.094 -0.151 0.000 1.026 109 V CA -0.368 61.848 62.300 -0.141 0.000 0.807 109 V CB 0.714 32.474 31.823 -0.105 0.000 1.044 109 V HN 0.903 nan 8.190 nan 0.000 0.443 110 V N 3.054 122.909 119.914 -0.098 0.000 2.509 110 V HA 0.552 4.672 4.120 -0.000 0.000 0.284 110 V C 0.929 176.998 176.094 -0.041 0.000 1.047 110 V CA -0.347 61.914 62.300 -0.066 0.000 0.952 110 V CB 1.210 33.014 31.823 -0.032 0.000 0.988 110 V HN 0.842 nan 8.190 nan 0.000 0.469 111 N N 3.411 122.092 118.700 -0.032 0.000 2.701 111 N HA -0.206 4.534 4.740 -0.000 0.000 0.252 111 N C 1.117 176.615 175.510 -0.021 0.000 1.002 111 N CA 2.117 55.155 53.050 -0.020 0.000 0.758 111 N CB -1.173 37.309 38.487 -0.009 0.000 0.937 111 N HN 1.996 nan 8.380 nan 0.000 0.538 112 G N -2.763 106.020 108.800 -0.029 0.000 2.345 112 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 112 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 112 G C 0.282 175.168 174.900 -0.023 0.000 1.058 112 G CA 0.628 45.714 45.100 -0.024 0.000 0.632 112 G HN 0.866 nan 8.290 nan 0.000 0.508 113 T N 0.986 115.526 114.554 -0.023 0.000 2.909 113 T HA 0.521 4.871 4.350 -0.000 0.000 0.289 113 T C 0.342 175.026 174.700 -0.025 0.000 1.005 113 T CA 0.528 62.616 62.100 -0.020 0.000 1.084 113 T CB 1.341 70.200 68.868 -0.016 0.000 0.975 113 T HN 0.452 nan 8.240 nan 0.000 0.509 114 E N 1.776 121.964 120.200 -0.019 0.000 2.371 114 E HA 0.243 4.593 4.350 -0.000 0.000 0.257 114 E C -0.213 176.368 176.600 -0.031 0.000 1.134 114 E CA -0.565 55.822 56.400 -0.021 0.000 0.919 114 E CB 0.530 30.226 29.700 -0.006 0.000 1.025 114 E HN 0.502 nan 8.360 nan 0.000 0.438 115 Q N 1.383 121.161 119.800 -0.038 0.000 2.378 115 Q HA 0.399 4.739 4.340 -0.000 0.000 0.276 115 Q C -2.292 173.677 176.000 -0.051 0.000 1.083 115 Q CA -2.069 53.714 55.803 -0.033 0.000 0.856 115 Q CB 1.356 30.085 28.738 -0.015 0.000 1.383 115 Q HN 0.505 nan 8.270 nan 0.000 0.458 116 P HA 0.041 nan 4.420 nan 0.000 0.263 116 P C -0.785 176.474 177.300 -0.067 0.000 1.195 116 P CA 0.165 63.233 63.100 -0.053 0.000 0.762 116 P CB 0.242 31.925 31.700 -0.029 0.000 0.799 117 A N 4.174 126.926 122.820 -0.113 0.000 2.520 117 A HA 0.260 4.580 4.320 -0.000 0.000 0.235 117 A C 0.994 178.528 177.584 -0.082 0.000 1.065 117 A CA 0.057 52.010 52.037 -0.141 0.000 0.764 117 A CB -0.466 18.412 19.000 -0.204 0.000 1.002 117 A HN 0.671 nan 8.150 nan 0.000 0.502 118 S N 1.395 117.047 115.700 -0.079 0.000 2.593 118 S HA 0.350 4.820 4.470 -0.000 0.000 0.269 118 S C -0.135 174.441 174.600 -0.039 0.000 1.334 118 S CA -0.335 57.838 58.200 -0.045 0.000 1.015 118 S CB 0.136 63.301 63.200 -0.058 0.000 0.912 118 S HN 0.684 nan 8.310 nan 0.000 0.541 119 E N 1.553 121.745 120.200 -0.014 0.000 2.608 119 E HA 0.045 4.395 4.350 -0.000 0.000 0.259 119 E C 0.224 176.824 176.600 0.000 0.000 0.951 119 E CA 0.063 56.462 56.400 -0.002 0.000 0.945 119 E CB -0.231 29.478 29.700 0.014 0.000 0.916 119 E HN 0.658 nan 8.360 nan 0.000 0.477 120 K N 0.823 121.224 120.400 0.002 0.000 2.414 120 K HA 0.471 4.791 4.320 -0.000 0.000 0.272 120 K C -0.322 176.309 176.600 0.052 0.000 0.993 120 K CA -0.394 55.904 56.287 0.018 0.000 0.964 120 K CB 0.699 33.205 32.500 0.009 0.000 0.925 120 K HN 0.471 nan 8.250 nan 0.000 0.487 121 A N 1.734 124.605 122.820 0.084 0.000 2.365 121 A HA 0.484 4.804 4.320 -0.000 0.000 0.318 121 A C -0.724 176.957 177.584 0.162 0.000 1.091 121 A CA -0.930 51.177 52.037 0.116 0.000 0.763 121 A CB 1.409 20.465 19.000 0.093 0.000 1.248 121 A HN 0.800 nan 8.150 nan 0.000 0.442 122 S N 0.619 116.429 115.700 0.183 0.000 2.549 122 S HA 0.603 5.073 4.470 -0.000 0.000 0.297 122 S C -0.117 174.644 174.600 0.269 0.000 1.115 122 S CA -0.744 57.580 58.200 0.207 0.000 1.059 122 S CB 1.311 64.611 63.200 0.168 0.000 1.046 122 S HN 0.781 nan 8.310 nan 0.000 0.506 123 V N 2.471 122.539 119.914 0.256 0.000 2.617 123 V HA -0.030 4.090 4.120 -0.000 0.000 0.304 123 V C -0.184 176.126 176.094 0.360 0.000 1.040 123 V CA 0.096 62.540 62.300 0.239 0.000 1.149 123 V CB -0.635 31.315 31.823 0.211 0.000 0.914 123 V HN 0.806 nan 8.190 nan 0.000 0.487 124 W N 3.770 125.099 121.300 0.049 0.000 2.304 124 W HA 0.458 5.118 4.660 -0.000 0.000 0.313 124 W C 1.133 177.645 176.519 -0.011 0.000 1.323 124 W CA -0.683 56.677 57.345 0.026 0.000 1.223 124 W CB -0.102 29.370 29.460 0.019 0.000 1.237 124 W HN 0.744 nan 8.180 nan 0.000 0.535 125 A N 3.035 125.948 122.820 0.155 0.000 1.902 125 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 125 A C 1.162 178.744 177.584 -0.003 0.000 1.181 125 A CA 1.191 53.260 52.037 0.053 0.000 0.623 125 A CB -0.328 18.670 19.000 -0.003 0.000 0.818 125 A HN 0.599 nan 8.150 nan 0.000 0.443 126 Q N -1.129 118.604 119.800 -0.112 0.000 2.212 126 Q HA 0.341 4.681 4.340 -0.000 0.000 0.238 126 Q C -2.047 173.910 176.000 -0.072 0.000 0.955 126 Q CA -2.005 53.633 55.803 -0.274 0.000 0.906 126 Q CB 1.100 29.283 28.738 -0.924 0.000 1.215 126 Q HN 0.148 nan 8.270 nan 0.000 0.478 127 P HA -0.062 nan 4.420 nan 0.000 0.251 127 P C -1.212 176.241 177.300 0.255 0.000 1.251 127 P CA 0.801 64.014 63.100 0.189 0.000 0.763 127 P CB -0.111 31.752 31.700 0.271 0.000 1.067 128 Y N -2.935 117.375 120.300 0.018 0.000 2.615 128 Y HA 0.723 5.273 4.550 -0.000 0.000 0.341 128 Y C -0.893 174.852 175.900 -0.260 0.000 1.089 128 Y CA -2.106 55.888 58.100 -0.178 0.000 1.049 128 Y CB 0.494 38.349 38.460 -1.008 0.000 1.296 128 Y HN -0.254 nan 8.280 nan 0.000 0.470 129 H N 0.190 118.961 119.070 -0.498 0.000 2.472 129 H HA 0.708 5.264 4.556 -0.000 0.000 0.338 129 H C -1.258 173.936 175.328 -0.224 0.000 1.133 129 H CA -0.565 54.988 56.048 -0.825 0.000 1.216 129 H CB 1.782 30.656 29.762 -1.480 0.000 1.497 129 H HN 0.739 nan 8.280 nan 0.000 0.500 130 S N 3.785 119.046 115.700 -0.732 0.000 2.433 130 S HA 0.315 4.785 4.470 -0.000 0.000 0.310 130 S C -0.846 173.410 174.600 -0.573 0.000 1.097 130 S CA -0.800 57.144 58.200 -0.427 0.000 1.103 130 S CB 0.828 63.911 63.200 -0.195 0.000 0.992 130 S HN 0.450 nan 8.310 nan 0.000 0.469 131 V N 7.117 126.848 119.914 -0.305 0.000 2.348 131 V HA 0.315 4.435 4.120 -0.000 0.000 0.270 131 V C -2.001 173.968 176.094 -0.209 0.000 1.037 131 V CA -1.998 60.178 62.300 -0.206 0.000 0.872 131 V CB 0.735 32.485 31.823 -0.122 0.000 1.002 131 V HN 0.634 nan 8.190 nan 0.000 0.464 132 P HA 0.281 nan 4.420 nan 0.000 0.276 132 P C -0.839 176.359 177.300 -0.171 0.000 1.230 132 P CA -0.095 62.933 63.100 -0.119 0.000 0.776 132 P CB 1.084 32.751 31.700 -0.055 0.000 0.888 133 L N 2.026 123.167 121.223 -0.137 0.000 2.331 133 L HA 0.377 4.717 4.340 -0.000 0.000 0.275 133 L C 0.664 177.612 176.870 0.131 0.000 1.022 133 L CA -0.736 54.028 54.840 -0.128 0.000 0.812 133 L CB 1.156 43.224 42.059 0.014 0.000 1.257 133 L HN 0.253 nan 8.230 nan 0.000 0.435 134 D N 2.282 122.870 120.400 0.314 0.000 2.483 134 D HA 0.029 4.669 4.640 -0.000 0.000 0.220 134 D C 0.079 176.349 176.300 -0.050 0.000 1.173 134 D CA -0.213 53.872 54.000 0.141 0.000 0.964 134 D CB 0.302 41.179 40.800 0.129 0.000 1.046 134 D HN 0.238 nan 8.370 nan 0.000 0.517 135 K N 3.889 124.212 120.400 -0.129 0.000 2.436 135 K HA 0.128 4.448 4.320 -0.000 0.000 0.282 135 K C -2.206 174.087 176.600 -0.513 0.000 1.044 135 K CA -1.220 54.801 56.287 -0.443 0.000 1.028 135 K CB 0.462 32.865 32.500 -0.161 0.000 0.919 135 K HN 0.257 nan 8.250 nan 0.000 0.474 136 P HA 0.055 nan 4.420 nan 0.000 0.275 136 P C -1.241 175.901 177.300 -0.264 0.000 1.228 136 P CA -0.379 62.344 63.100 -0.629 0.000 0.786 136 P CB 1.130 32.153 31.700 -1.128 0.000 0.927 137 A N 2.485 125.223 122.820 -0.136 0.000 2.371 137 A HA 0.536 4.856 4.320 -0.000 0.000 0.257 137 A C 0.963 178.575 177.584 0.046 0.000 1.089 137 A CA 0.075 52.085 52.037 -0.045 0.000 0.794 137 A CB -0.426 18.535 19.000 -0.065 0.000 1.029 137 A HN 0.634 nan 8.150 nan 0.000 0.488 138 G N 0.274 109.054 108.800 -0.034 0.000 2.562 138 G HA2 0.452 4.412 3.960 -0.000 0.000 0.233 138 G HA3 0.452 4.412 3.960 -0.000 0.000 0.233 138 G C 0.439 175.118 174.900 -0.369 0.000 1.266 138 G CA 0.362 45.336 45.100 -0.211 0.000 0.852 138 G HN 1.213 nan 8.290 nan 0.000 0.581 139 G N -1.242 106.986 108.800 -0.954 0.000 3.075 139 G HA2 0.666 4.626 3.960 -0.000 0.000 0.253 139 G HA3 0.666 4.626 3.960 -0.000 0.000 0.253 139 G C -0.966 173.427 174.900 -0.846 0.000 1.353 139 G CA -0.432 44.166 45.100 -0.837 0.000 1.051 139 G HN 0.725 nan 8.290 nan 0.000 0.553 140 T N 0.562 114.936 114.554 -0.300 0.000 3.011 140 T HA 0.517 4.867 4.350 -0.000 0.000 0.303 140 T C 0.135 174.909 174.700 0.123 0.000 0.997 140 T CA -0.384 61.672 62.100 -0.073 0.000 1.007 140 T CB 1.134 69.951 68.868 -0.085 0.000 1.017 140 T HN 0.854 nan 8.240 nan 0.000 0.443 141 T N 2.115 116.791 114.554 0.204 0.000 2.898 141 T HA 0.242 4.592 4.350 -0.000 0.000 0.301 141 T C -1.652 172.989 174.700 -0.098 0.000 1.049 141 T CA -1.462 60.690 62.100 0.086 0.000 1.095 141 T CB 0.487 69.414 68.868 0.098 0.000 0.976 141 T HN 0.138 nan 8.240 nan 0.000 0.539 142 P HA -0.139 nan 4.420 nan 0.000 0.218 142 P C 1.141 178.258 177.300 -0.305 0.000 1.147 142 P CA 1.120 64.023 63.100 -0.328 0.000 0.827 142 P CB 0.065 31.436 31.700 -0.548 0.000 0.778 143 K N -1.518 118.688 120.400 -0.323 0.000 2.476 143 K HA 0.157 4.477 4.320 -0.000 0.000 0.196 143 K C 1.112 177.676 176.600 -0.061 0.000 1.025 143 K CA 0.676 56.874 56.287 -0.148 0.000 1.138 143 K CB -0.621 31.852 32.500 -0.046 0.000 0.860 143 K HN 0.181 nan 8.250 nan 0.000 0.515 144 G N 2.376 111.138 108.800 -0.062 0.000 2.179 144 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 144 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 144 G C -0.117 174.779 174.900 -0.006 0.000 1.010 144 G CA 0.484 45.565 45.100 -0.032 0.000 0.736 144 G HN 0.489 nan 8.290 nan 0.000 0.513 145 E N 0.885 121.099 120.200 0.023 0.000 2.259 145 E HA 0.519 4.869 4.350 -0.000 0.000 0.281 145 E C 0.743 177.387 176.600 0.074 0.000 1.027 145 E CA 0.065 56.498 56.400 0.055 0.000 0.838 145 E CB 0.587 30.339 29.700 0.086 0.000 1.066 145 E HN 0.449 nan 8.360 nan 0.000 0.401 146 S N 3.872 119.587 115.700 0.024 0.000 2.554 146 S HA 0.451 4.921 4.470 -0.000 0.000 0.278 146 S C -0.749 173.859 174.600 0.014 0.000 1.242 146 S CA -0.706 57.459 58.200 -0.058 0.000 1.051 146 S CB 0.460 63.606 63.200 -0.090 0.000 0.986 146 S HN 0.498 nan 8.310 nan 0.000 0.502 147 Y N -1.118 119.130 120.300 -0.088 0.000 2.492 147 Y HA 0.754 5.304 4.550 -0.000 0.000 0.346 147 Y C -0.088 175.697 175.900 -0.193 0.000 0.997 147 Y CA -1.017 57.000 58.100 -0.139 0.000 1.025 147 Y CB 0.761 39.114 38.460 -0.179 0.000 1.263 147 Y HN 0.827 nan 8.280 nan 0.000 0.454 148 T N -1.206 113.322 114.554 -0.043 0.000 2.893 148 T HA 0.624 4.974 4.350 -0.000 0.000 0.279 148 T C -1.302 173.324 174.700 -0.123 0.000 0.991 148 T CA -0.682 61.376 62.100 -0.071 0.000 0.950 148 T CB 1.226 70.095 68.868 0.001 0.000 1.223 148 T HN 0.646 nan 8.240 nan 0.000 0.585 149 Y N 0.152 120.517 120.300 0.108 0.000 2.468 149 Y HA 0.564 5.114 4.550 -0.000 0.000 0.342 149 Y C 0.472 176.527 175.900 0.258 0.000 1.021 149 Y CA -0.672 57.536 58.100 0.181 0.000 1.079 149 Y CB 2.369 40.862 38.460 0.055 0.000 1.226 149 Y HN 0.971 nan 8.280 nan 0.000 0.460 150 S N 1.004 117.023 115.700 0.531 0.000 2.542 150 S HA 0.847 5.317 4.470 -0.000 0.000 0.293 150 S C -0.708 174.156 174.600 0.440 0.000 1.089 150 S CA -1.172 57.291 58.200 0.438 0.000 0.961 150 S CB 1.695 65.025 63.200 0.217 0.000 1.062 150 S HN 0.851 nan 8.310 nan 0.000 0.483 151 A N 2.376 125.266 122.820 0.116 0.000 2.492 151 A HA 0.367 4.687 4.320 -0.000 0.000 0.254 151 A C 0.548 178.021 177.584 -0.184 0.000 1.091 151 A CA -0.360 51.396 52.037 -0.467 0.000 0.768 151 A CB -0.348 18.320 19.000 -0.553 0.000 1.028 151 A HN 0.904 nan 8.150 nan 0.000 0.498 152 N N 0.621 119.203 118.700 -0.196 0.000 3.245 152 N HA 0.124 4.864 4.740 -0.000 0.000 0.333 152 N C -0.894 174.593 175.510 -0.038 0.000 1.403 152 N CA -0.669 52.352 53.050 -0.049 0.000 0.648 152 N CB 0.653 39.162 38.487 0.036 0.000 1.572 152 N HN 0.670 nan 8.380 nan 0.000 0.516 153 D N 0.993 121.433 120.400 0.066 0.000 2.443 153 D HA 0.282 4.922 4.640 -0.000 0.000 0.239 153 D C -0.434 175.999 176.300 0.222 0.000 1.136 153 D CA 0.344 54.429 54.000 0.142 0.000 0.879 153 D CB 0.996 41.935 40.800 0.232 0.000 1.195 153 D HN 0.474 nan 8.370 nan 0.000 0.443 154 A N 1.350 124.274 122.820 0.174 0.000 2.350 154 A HA 0.618 4.938 4.320 -0.000 0.000 0.318 154 A C -0.080 177.640 177.584 0.228 0.000 1.132 154 A CA -0.553 51.625 52.037 0.235 0.000 0.811 154 A CB 1.982 21.016 19.000 0.057 0.000 1.313 154 A HN 0.415 nan 8.150 nan 0.000 0.454 155 S N -1.518 114.369 115.700 0.311 0.000 2.810 155 S HA 0.829 5.299 4.470 -0.000 0.000 0.315 155 S C -0.727 173.934 174.600 0.101 0.000 1.138 155 S CA 0.166 58.429 58.200 0.105 0.000 0.889 155 S CB 1.388 64.618 63.200 0.051 0.000 1.236 155 S HN 1.946 nan 8.310 nan 0.000 0.548 156 V N -1.230 118.697 119.914 0.022 0.000 3.040 156 V HA 1.063 5.183 4.120 -0.000 0.000 0.312 156 V C -0.023 176.122 176.094 0.085 0.000 1.115 156 V CA -0.204 62.106 62.300 0.016 0.000 0.998 156 V CB 1.033 32.736 31.823 -0.200 0.000 1.042 156 V HN 1.288 nan 8.190 nan 0.000 0.433 157 G N 0.252 109.194 108.800 0.237 0.000 2.632 157 G HA2 0.483 4.443 3.960 -0.000 0.000 0.292 157 G HA3 0.483 4.443 3.960 -0.000 0.000 0.292 157 G C -2.176 172.910 174.900 0.311 0.000 1.465 157 G CA -0.440 44.833 45.100 0.288 0.000 0.824 157 G HN 0.836 nan 8.290 nan 0.000 0.509 158 D N 1.246 121.769 120.400 0.205 0.000 2.479 158 D HA 0.258 4.898 4.640 -0.000 0.000 0.218 158 D C 1.744 178.105 176.300 0.102 0.000 1.131 158 D CA -0.224 53.830 54.000 0.090 0.000 0.916 158 D CB 1.163 41.949 40.800 -0.023 0.000 1.022 158 D HN 0.405 nan 8.370 nan 0.000 0.515 159 V N 1.198 121.191 119.914 0.132 0.000 2.951 159 V HA 0.023 4.143 4.120 -0.000 0.000 0.255 159 V C 0.888 177.061 176.094 0.131 0.000 1.088 159 V CA 1.286 63.681 62.300 0.158 0.000 1.109 159 V CB -0.182 31.778 31.823 0.228 0.000 0.724 159 V HN 0.383 nan 8.190 nan 0.000 0.471 160 D N -0.413 120.048 120.400 0.101 0.000 2.469 160 D HA 0.278 4.918 4.640 -0.000 0.000 0.213 160 D C 1.479 177.814 176.300 0.059 0.000 1.135 160 D CA 0.294 54.344 54.000 0.083 0.000 0.834 160 D CB 0.114 40.962 40.800 0.081 0.000 1.009 160 D HN 0.850 nan 8.370 nan 0.000 0.507 161 G N 2.132 110.961 108.800 0.048 0.000 2.182 161 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.248 161 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.248 161 G C 0.368 175.280 174.900 0.020 0.000 1.042 161 G CA 0.420 45.539 45.100 0.032 0.000 0.775 161 G HN 0.534 nan 8.290 nan 0.000 0.501 162 D N -0.664 119.743 120.400 0.013 0.000 2.340 162 D HA 0.365 5.005 4.640 -0.000 0.000 0.217 162 D C 1.731 178.022 176.300 -0.016 0.000 1.081 162 D CA 0.422 54.427 54.000 0.008 0.000 0.842 162 D CB -0.476 40.336 40.800 0.020 0.000 0.934 162 D HN 1.521 nan 8.370 nan 0.000 0.511 163 G N 0.385 109.155 108.800 -0.049 0.000 2.148 163 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.254 163 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.254 163 G C -0.053 174.751 174.900 -0.161 0.000 0.981 163 G CA 0.438 45.481 45.100 -0.096 0.000 0.670 163 G HN 0.675 nan 8.290 nan 0.000 0.528 164 Q N -0.532 119.187 119.800 -0.136 0.000 2.353 164 Q HA 0.627 4.967 4.340 -0.000 0.000 0.268 164 Q C -0.772 175.165 176.000 -0.106 0.000 1.045 164 Q CA -1.106 54.629 55.803 -0.114 0.000 0.811 164 Q CB 1.237 29.973 28.738 -0.004 0.000 1.305 164 Q HN 0.196 nan 8.270 nan 0.000 0.447 165 Y N 1.677 122.015 120.300 0.064 0.000 2.359 165 Y HA 0.173 4.722 4.550 -0.000 0.000 0.330 165 Y C 0.075 176.019 175.900 0.073 0.000 1.143 165 Y CA -0.019 58.120 58.100 0.065 0.000 1.318 165 Y CB 0.883 39.385 38.460 0.069 0.000 1.234 165 Y HN 0.609 nan 8.280 nan 0.000 0.522 166 E N 1.923 122.273 120.200 0.252 0.000 2.250 166 E HA 0.462 4.812 4.350 -0.000 0.000 0.269 166 E C -1.126 175.570 176.600 0.161 0.000 1.018 166 E CA -0.607 55.895 56.400 0.170 0.000 0.873 166 E CB 0.832 30.598 29.700 0.111 0.000 1.134 166 E HN 0.435 nan 8.360 nan 0.000 0.403 167 L N 2.645 123.946 121.223 0.130 0.000 2.265 167 L HA 0.334 4.674 4.340 -0.000 0.000 0.288 167 L C -0.518 176.399 176.870 0.078 0.000 1.058 167 L CA -0.629 54.273 54.840 0.103 0.000 0.809 167 L CB 0.472 42.578 42.059 0.079 0.000 1.179 167 L HN 0.289 nan 8.230 nan 0.000 0.429 168 I N 5.092 125.717 120.570 0.091 0.000 2.307 168 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 168 I C -0.278 175.835 176.117 -0.006 0.000 1.021 168 I CA -0.454 60.867 61.300 0.036 0.000 1.224 168 I CB 1.242 39.365 38.000 0.207 0.000 1.376 168 I HN 0.378 nan 8.210 nan 0.000 0.470 169 L N 7.456 128.585 121.223 -0.157 0.000 2.305 169 L HA 0.421 4.761 4.340 -0.000 0.000 0.284 169 L C 0.080 176.671 176.870 -0.465 0.000 1.013 169 L CA -0.333 54.339 54.840 -0.280 0.000 0.819 169 L CB 1.061 42.925 42.059 -0.326 0.000 1.227 169 L HN 0.516 nan 8.230 nan 0.000 0.417 170 K N 4.559 124.673 120.400 -0.477 0.000 2.258 170 K HA 0.231 4.551 4.320 -0.000 0.000 0.284 170 K C -1.355 175.063 176.600 -0.304 0.000 1.051 170 K CA -0.324 55.731 56.287 -0.386 0.000 0.923 170 K CB 0.489 32.830 32.500 -0.266 0.000 1.046 170 K HN 0.589 nan 8.250 nan 0.000 0.474 171 W N 3.055 124.336 121.300 -0.032 0.000 2.351 171 W HA 0.166 4.826 4.660 -0.000 0.000 0.311 171 W C -0.176 176.467 176.519 0.206 0.000 1.168 171 W CA -0.370 57.019 57.345 0.074 0.000 1.200 171 W CB 1.009 30.429 29.460 -0.067 0.000 1.221 171 W HN 0.554 nan 8.180 nan 0.000 0.519 172 D N 4.598 125.285 120.400 0.479 0.000 2.349 172 D HA 0.313 4.953 4.640 -0.000 0.000 0.232 172 D C -2.264 174.219 176.300 0.306 0.000 1.071 172 D CA -2.113 52.083 54.000 0.327 0.000 0.832 172 D CB 1.424 42.338 40.800 0.190 0.000 1.086 172 D HN -0.097 nan 8.370 nan 0.000 0.504 173 P HA 0.034 nan 4.420 nan 0.000 0.271 173 P C 0.562 177.808 177.300 -0.090 0.000 1.218 173 P CA -0.254 62.682 63.100 -0.274 0.000 0.780 173 P CB 1.101 32.483 31.700 -0.529 0.000 0.901 174 S N 1.041 116.713 115.700 -0.046 0.000 2.500 174 S HA -0.155 4.315 4.470 -0.000 0.000 0.239 174 S C 1.090 175.694 174.600 0.007 0.000 0.989 174 S CA 0.841 59.050 58.200 0.015 0.000 0.951 174 S CB -1.062 62.159 63.200 0.036 0.000 0.759 174 S HN 0.619 nan 8.310 nan 0.000 0.523 175 N N 1.825 120.502 118.700 -0.038 0.000 2.238 175 N HA 0.066 4.806 4.740 -0.000 0.000 0.222 175 N C 0.013 175.491 175.510 -0.052 0.000 1.133 175 N CA 0.219 53.248 53.050 -0.035 0.000 0.854 175 N CB -0.313 38.157 38.487 -0.029 0.000 1.041 175 N HN 0.448 nan 8.380 nan 0.000 0.510 176 S N 0.542 116.219 115.700 -0.038 0.000 2.566 176 S HA 0.165 4.635 4.470 -0.000 0.000 0.280 176 S C -0.032 174.606 174.600 0.064 0.000 1.343 176 S CA -0.145 58.064 58.200 0.014 0.000 1.036 176 S CB 0.924 64.157 63.200 0.055 0.000 0.866 176 S HN 0.176 nan 8.310 nan 0.000 0.526 177 K N 1.573 122.048 120.400 0.124 0.000 2.482 177 K HA 0.279 4.599 4.320 -0.000 0.000 0.251 177 K C -0.845 175.903 176.600 0.247 0.000 0.936 177 K CA -0.588 55.792 56.287 0.155 0.000 0.791 177 K CB 1.879 34.456 32.500 0.128 0.000 1.213 177 K HN 0.868 nan 8.250 nan 0.000 0.428 178 D N 1.458 121.981 120.400 0.204 0.000 2.423 178 D HA -0.025 4.615 4.640 -0.000 0.000 0.238 178 D C 0.460 176.897 176.300 0.229 0.000 1.142 178 D CA 0.226 54.373 54.000 0.244 0.000 0.884 178 D CB 0.908 41.837 40.800 0.216 0.000 1.199 178 D HN 0.366 nan 8.370 nan 0.000 0.438 179 N N 0.789 119.594 118.700 0.175 0.000 2.272 179 N HA -0.186 4.554 4.740 -0.000 0.000 0.185 179 N C 1.705 177.312 175.510 0.162 0.000 1.014 179 N CA 1.324 54.449 53.050 0.125 0.000 0.870 179 N CB -0.134 38.304 38.487 -0.082 0.000 0.975 179 N HN 0.416 nan 8.380 nan 0.000 0.433 180 S N -0.596 115.201 115.700 0.163 0.000 2.453 180 S HA -0.036 4.434 4.470 -0.000 0.000 0.231 180 S C 0.667 175.368 174.600 0.169 0.000 1.005 180 S CA 0.301 58.632 58.200 0.219 0.000 0.949 180 S CB -0.170 63.107 63.200 0.129 0.000 0.774 180 S HN 0.282 nan 8.310 nan 0.000 0.510 181 Q N 2.811 122.695 119.800 0.140 0.000 2.256 181 Q HA 0.281 4.621 4.340 -0.000 0.000 0.254 181 Q C -0.421 175.634 176.000 0.091 0.000 0.916 181 Q CA -0.630 55.229 55.803 0.094 0.000 0.932 181 Q CB 0.860 29.651 28.738 0.088 0.000 1.207 181 Q HN 0.551 nan 8.270 nan 0.000 0.426 182 D N 1.131 121.560 120.400 0.049 0.000 2.377 182 D HA 0.516 5.156 4.640 -0.000 0.000 0.245 182 D C 0.234 176.531 176.300 -0.005 0.000 1.196 182 D CA -0.319 53.691 54.000 0.016 0.000 0.962 182 D CB 1.094 41.892 40.800 -0.005 0.000 1.127 182 D HN 0.665 nan 8.370 nan 0.000 0.471 183 G N -0.887 107.875 108.800 -0.063 0.000 2.348 183 G HA2 0.115 4.075 3.960 -0.000 0.000 0.606 183 G HA3 0.115 4.075 3.960 -0.000 0.000 0.606 183 G C -1.696 173.133 174.900 -0.118 0.000 1.466 183 G CA -1.104 43.973 45.100 -0.038 0.000 0.950 183 G HN 0.360 nan 8.290 nan 0.000 0.657 184 Y N 0.863 121.153 120.300 -0.017 0.000 2.346 184 Y HA 0.533 5.083 4.550 -0.000 0.000 0.330 184 Y C 1.588 177.434 175.900 -0.091 0.000 1.178 184 Y CA 0.943 59.017 58.100 -0.044 0.000 1.331 184 Y CB 1.515 39.963 38.460 -0.021 0.000 1.253 184 Y HN 0.760 nan 8.280 nan 0.000 0.529 185 T N -0.323 114.225 114.554 -0.009 0.000 2.885 185 T HA 0.693 5.043 4.350 -0.000 0.000 0.285 185 T C 0.388 174.880 174.700 -0.346 0.000 1.019 185 T CA -0.834 61.160 62.100 -0.178 0.000 1.010 185 T CB 1.442 70.207 68.868 -0.172 0.000 1.022 185 T HN 0.854 nan 8.240 nan 0.000 0.466 186 G N 1.182 109.472 108.800 -0.851 0.000 2.664 186 G HA2 0.314 4.274 3.960 -0.000 0.000 0.242 186 G HA3 0.314 4.274 3.960 -0.000 0.000 0.242 186 G C -0.329 174.346 174.900 -0.376 0.000 1.225 186 G CA -0.542 43.743 45.100 -1.358 0.000 0.849 186 G HN 0.821 nan 8.290 nan 0.000 0.581 187 D N -0.778 119.609 120.400 -0.022 0.000 2.443 187 D HA 0.171 4.811 4.640 -0.000 0.000 0.239 187 D C 0.451 176.886 176.300 0.225 0.000 1.136 187 D CA 0.177 54.260 54.000 0.138 0.000 0.879 187 D CB 1.508 42.437 40.800 0.214 0.000 1.195 187 D HN 0.005 nan 8.370 nan 0.000 0.443 188 V N 3.378 123.378 119.914 0.143 0.000 2.465 188 V HA 0.307 4.427 4.120 -0.000 0.000 0.279 188 V C 0.389 176.556 176.094 0.122 0.000 1.045 188 V CA -0.580 61.818 62.300 0.164 0.000 0.938 188 V CB 0.907 32.789 31.823 0.098 0.000 0.986 188 V HN 0.260 nan 8.190 nan 0.000 0.467 189 L N 5.778 127.084 121.223 0.140 0.000 2.349 189 L HA 0.597 4.937 4.340 -0.000 0.000 0.278 189 L C -0.811 176.145 176.870 0.144 0.000 0.996 189 L CA -0.512 54.380 54.840 0.087 0.000 0.825 189 L CB 1.934 43.953 42.059 -0.068 0.000 1.243 189 L HN 0.394 nan 8.230 nan 0.000 0.412 190 I N 2.342 122.937 120.570 0.042 0.000 2.354 190 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 190 I C -0.652 175.455 176.117 -0.016 0.000 0.989 190 I CA -0.262 61.005 61.300 -0.054 0.000 1.188 190 I CB 1.767 39.681 38.000 -0.144 0.000 1.342 190 I HN 0.510 nan 8.210 nan 0.000 0.457 191 D N 4.499 124.803 120.400 -0.159 0.000 2.252 191 D HA 0.655 5.295 4.640 -0.000 0.000 0.245 191 D C -0.243 175.537 176.300 -0.866 0.000 1.009 191 D CA -0.235 53.489 54.000 -0.459 0.000 0.870 191 D CB 2.488 43.230 40.800 -0.096 0.000 1.251 191 D HN 0.600 nan 8.370 nan 0.000 0.460 192 A N 1.798 123.703 122.820 -1.525 0.000 2.304 192 A HA 0.643 4.963 4.320 -0.000 0.000 0.323 192 A C -1.437 175.589 177.584 -0.930 0.000 1.195 192 A CA -0.503 50.849 52.037 -1.141 0.000 0.826 192 A CB 0.421 18.570 19.000 -1.419 0.000 1.184 192 A HN 0.496 nan 8.150 nan 0.000 0.496 193 Y N 1.334 121.470 120.300 -0.274 0.000 2.391 193 Y HA 0.379 4.929 4.550 0.000 0.000 0.341 193 Y C 0.534 176.397 175.900 -0.062 0.000 0.965 193 Y CA -0.572 57.442 58.100 -0.143 0.000 1.067 193 Y CB 2.052 40.454 38.460 -0.096 0.000 1.199 193 Y HN 0.617 nan 8.280 nan 0.000 0.450 194 K N 2.770 123.236 120.400 0.109 0.000 2.168 194 K HA 0.255 4.575 4.320 -0.000 0.000 0.258 194 K C 0.876 177.564 176.600 0.147 0.000 1.010 194 K CA -0.381 55.973 56.287 0.111 0.000 0.929 194 K CB 0.823 33.371 32.500 0.081 0.000 0.998 194 K HN 0.744 nan 8.250 nan 0.000 0.479 195 L N 1.384 122.692 121.223 0.141 0.000 2.189 195 L HA -0.241 4.099 4.340 -0.000 0.000 0.214 195 L C 1.502 178.511 176.870 0.232 0.000 1.097 195 L CA 1.363 56.307 54.840 0.173 0.000 0.764 195 L CB -0.700 41.429 42.059 0.116 0.000 0.900 195 L HN 0.721 nan 8.230 nan 0.000 0.436 196 D N -0.923 119.573 120.400 0.160 0.000 2.363 196 D HA 0.016 4.656 4.640 -0.000 0.000 0.220 196 D C 1.500 177.863 176.300 0.105 0.000 0.994 196 D CA 0.921 55.006 54.000 0.142 0.000 0.890 196 D CB 0.157 41.016 40.800 0.097 0.000 0.906 196 D HN 0.309 nan 8.370 nan 0.000 0.530 197 G N -0.826 108.046 108.800 0.119 0.000 2.231 197 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.206 197 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.206 197 G C 0.437 175.459 174.900 0.203 0.000 0.996 197 G CA -0.021 45.153 45.100 0.123 0.000 0.645 197 G HN 0.370 nan 8.290 nan 0.000 0.498 198 T N 2.288 116.922 114.554 0.132 0.000 2.738 198 T HA 0.261 4.611 4.350 -0.000 0.000 0.277 198 T C 0.545 175.252 174.700 0.011 0.000 0.981 198 T CA 0.884 63.029 62.100 0.074 0.000 1.211 198 T CB 0.802 69.695 68.868 0.041 0.000 0.932 198 T HN 0.477 nan 8.240 nan 0.000 0.522 199 K N 4.149 124.513 120.400 -0.060 0.000 2.349 199 K HA 0.185 4.505 4.320 -0.000 0.000 0.289 199 K C 0.861 177.280 176.600 -0.301 0.000 1.064 199 K CA -0.375 55.667 56.287 -0.409 0.000 0.947 199 K CB 0.262 32.562 32.500 -0.334 0.000 1.007 199 K HN 0.574 nan 8.250 nan 0.000 0.478 200 L N 4.892 125.852 121.223 -0.439 0.000 2.209 200 L HA 0.145 4.485 4.340 -0.000 0.000 0.207 200 L C 0.409 177.258 176.870 -0.035 0.000 1.094 200 L CA 0.292 55.003 54.840 -0.215 0.000 0.790 200 L CB -0.093 41.839 42.059 -0.213 0.000 0.932 200 L HN 0.731 nan 8.230 nan 0.000 0.447 201 W N -1.567 119.632 121.300 -0.169 0.000 2.946 201 W HA 0.424 5.084 4.660 0.000 0.000 0.364 201 W C -1.534 174.881 176.519 -0.173 0.000 1.134 201 W CA -1.009 56.254 57.345 -0.138 0.000 1.140 201 W CB 1.193 30.592 29.460 -0.101 0.000 1.463 201 W HN -0.320 nan 8.180 nan 0.000 0.564 202 R N 1.492 122.194 120.500 0.337 0.000 2.574 202 R HA 0.661 5.001 4.340 -0.000 0.000 0.288 202 R C -1.720 174.717 176.300 0.228 0.000 1.004 202 R CA -0.668 55.565 56.100 0.222 0.000 0.895 202 R CB 1.852 32.171 30.300 0.031 0.000 1.191 202 R HN 0.538 nan 8.270 nan 0.000 0.444 203 I N 3.607 124.292 120.570 0.191 0.000 2.321 203 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 203 I C -0.284 175.824 176.117 -0.015 0.000 0.998 203 I CA -0.791 60.484 61.300 -0.041 0.000 1.227 203 I CB 1.565 39.351 38.000 -0.357 0.000 1.368 203 I HN 0.504 nan 8.210 nan 0.000 0.466 204 N N 6.945 125.644 118.700 -0.002 0.000 2.462 204 N HA 0.255 4.995 4.740 -0.000 0.000 0.242 204 N C 0.505 176.036 175.510 0.034 0.000 1.010 204 N CA -0.129 52.933 53.050 0.019 0.000 0.939 204 N CB 1.120 39.622 38.487 0.025 0.000 1.127 204 N HN 0.599 nan 8.380 nan 0.000 0.509 205 L N 2.565 123.811 121.223 0.038 0.000 2.275 205 L HA 0.131 4.470 4.340 -0.000 0.000 0.215 205 L C 1.340 178.247 176.870 0.063 0.000 1.119 205 L CA 0.786 55.658 54.840 0.053 0.000 0.790 205 L CB -0.827 41.257 42.059 0.042 0.000 0.919 205 L HN 0.822 nan 8.230 nan 0.000 0.443 206 G N 0.354 109.191 108.800 0.062 0.000 2.795 206 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.664 206 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.664 206 G C 0.589 175.521 174.900 0.053 0.000 1.381 206 G CA 0.031 45.169 45.100 0.063 0.000 0.853 206 G HN 0.369 nan 8.290 nan 0.000 0.545 207 K N -0.405 120.027 120.400 0.054 0.000 2.228 207 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 207 K C 1.428 178.053 176.600 0.043 0.000 1.045 207 K CA 2.210 58.527 56.287 0.050 0.000 0.931 207 K CB -0.226 32.303 32.500 0.048 0.000 0.727 207 K HN 0.445 nan 8.250 nan 0.000 0.458 208 N N 0.319 119.050 118.700 0.051 0.000 2.314 208 N HA 0.141 4.881 4.740 -0.000 0.000 0.200 208 N C -0.842 174.667 175.510 -0.002 0.000 1.135 208 N CA -0.012 53.073 53.050 0.058 0.000 0.835 208 N CB 0.445 39.011 38.487 0.132 0.000 0.989 208 N HN 0.115 nan 8.380 nan 0.000 0.478 209 I N 1.267 121.819 120.570 -0.030 0.000 2.466 209 I HA 0.207 4.377 4.170 -0.000 0.000 0.279 209 I C 0.145 176.171 176.117 -0.152 0.000 1.033 209 I CA -0.565 60.686 61.300 -0.081 0.000 1.123 209 I CB 1.211 39.189 38.000 -0.036 0.000 1.237 209 I HN 0.040 nan 8.210 nan 0.000 0.460 210 R N 3.479 123.780 120.500 -0.333 0.000 2.698 210 R HA 0.366 4.706 4.340 -0.000 0.000 0.266 210 R C 0.133 176.171 176.300 -0.435 0.000 1.026 210 R CA -0.007 55.780 56.100 -0.522 0.000 1.102 210 R CB 0.756 30.457 30.300 -0.998 0.000 0.978 210 R HN 0.740 nan 8.270 nan 0.000 0.436 211 A N 2.221 124.900 122.820 -0.234 0.000 2.289 211 A HA 0.641 4.961 4.320 -0.000 0.000 0.298 211 A C -0.160 177.517 177.584 0.154 0.000 1.208 211 A CA 0.286 52.313 52.037 -0.017 0.000 0.845 211 A CB 1.150 20.132 19.000 -0.031 0.000 1.125 211 A HN 0.866 nan 8.150 nan 0.000 0.517 212 G N -0.701 108.311 108.800 0.353 0.000 2.340 212 G HA2 0.572 4.532 3.960 -0.000 0.000 0.298 212 G HA3 0.572 4.532 3.960 -0.000 0.000 0.298 212 G C 0.400 175.429 174.900 0.213 0.000 1.498 212 G CA -0.047 45.274 45.100 0.369 0.000 0.847 212 G HN 1.467 nan 8.290 nan 0.000 0.594 213 A N -0.287 122.525 122.820 -0.013 0.000 2.024 213 A HA -0.010 4.310 4.320 -0.000 0.000 0.220 213 A C 1.537 178.940 177.584 -0.302 0.000 1.164 213 A CA 2.101 54.024 52.037 -0.191 0.000 0.643 213 A CB -0.521 18.288 19.000 -0.318 0.000 0.806 213 A HN 0.695 nan 8.150 nan 0.000 0.451 214 H N -3.024 116.005 119.070 -0.068 0.000 2.586 214 H HA 0.161 4.717 4.556 -0.000 0.000 0.273 214 H C 0.970 176.202 175.328 -0.159 0.000 0.997 214 H CA 0.220 56.165 56.048 -0.172 0.000 1.177 214 H CB 0.010 29.589 29.762 -0.304 0.000 1.471 214 H HN 0.620 nan 8.280 nan 0.000 0.538 215 Y N 1.939 122.402 120.300 0.272 0.000 2.460 215 Y HA 0.001 4.551 4.550 -0.000 0.000 0.249 215 Y C 1.481 177.486 175.900 0.175 0.000 1.024 215 Y CA 0.555 58.836 58.100 0.301 0.000 1.044 215 Y CB -0.679 37.875 38.460 0.157 0.000 1.034 215 Y HN -0.184 nan 8.280 nan 0.000 0.470 216 T N 4.031 118.758 114.554 0.288 0.000 2.751 216 T HA 0.111 4.461 4.350 -0.000 0.000 0.290 216 T C -0.517 174.339 174.700 0.261 0.000 0.919 216 T CA -0.342 61.873 62.100 0.191 0.000 1.136 216 T CB -0.092 68.884 68.868 0.180 0.000 0.875 216 T HN 0.086 nan 8.240 nan 0.000 0.532 217 Q N 3.840 123.765 119.800 0.208 0.000 2.368 217 Q HA 0.358 4.698 4.340 -0.000 0.000 0.263 217 Q C -0.503 175.638 176.000 0.234 0.000 1.009 217 Q CA -0.571 55.355 55.803 0.204 0.000 0.818 217 Q CB 0.932 29.766 28.738 0.162 0.000 1.239 217 Q HN 0.770 nan 8.270 nan 0.000 0.464 218 F N 0.135 120.148 119.950 0.106 0.000 2.415 218 F HA 0.652 5.179 4.527 -0.000 0.000 0.348 218 F C -0.105 175.771 175.800 0.127 0.000 1.119 218 F CA -1.148 56.919 58.000 0.111 0.000 1.069 218 F CB 0.970 40.032 39.000 0.104 0.000 1.124 218 F HN 0.129 nan 8.300 nan 0.000 0.472 219 M N 5.126 124.827 119.600 0.168 0.000 2.080 219 M HA 0.340 4.820 4.480 -0.000 0.000 0.350 219 M C -0.949 175.479 176.300 0.213 0.000 1.173 219 M CA -0.692 54.678 55.300 0.118 0.000 1.052 219 M CB 1.431 34.097 32.600 0.110 0.000 1.577 219 M HN 0.558 nan 8.290 nan 0.000 0.455 220 V N 5.886 125.931 119.914 0.218 0.000 2.347 220 V HA 0.491 4.611 4.120 -0.000 0.000 0.280 220 V C -1.120 175.163 176.094 0.315 0.000 1.021 220 V CA -0.581 61.881 62.300 0.270 0.000 0.847 220 V CB 1.005 32.991 31.823 0.272 0.000 0.990 220 V HN 0.785 nan 8.190 nan 0.000 0.444 221 Y N 2.089 122.468 120.300 0.132 0.000 2.521 221 Y HA 0.271 4.821 4.550 -0.000 0.000 0.326 221 Y C -0.402 175.573 175.900 0.126 0.000 1.176 221 Y CA -1.138 57.036 58.100 0.123 0.000 1.079 221 Y CB 1.666 40.181 38.460 0.090 0.000 1.341 221 Y HN 0.671 nan 8.280 nan 0.000 0.456 222 D N 4.397 124.789 120.400 -0.013 0.000 2.429 222 D HA 0.087 4.726 4.640 -0.000 0.000 0.253 222 D C 0.523 176.980 176.300 0.262 0.000 1.294 222 D CA 0.762 54.823 54.000 0.103 0.000 1.063 222 D CB 0.233 41.034 40.800 0.002 0.000 1.096 222 D HN 0.684 nan 8.370 nan 0.000 0.516 223 L N 1.955 123.350 121.223 0.286 0.000 2.095 223 L HA -0.067 4.273 4.340 -0.000 0.000 0.204 223 L C 1.826 178.837 176.870 0.235 0.000 1.080 223 L CA 1.012 56.021 54.840 0.282 0.000 0.759 223 L CB -0.058 42.172 42.059 0.284 0.000 0.914 223 L HN 0.337 nan 8.230 nan 0.000 0.439 224 D N -0.994 119.559 120.400 0.256 0.000 2.350 224 D HA 0.035 4.675 4.640 -0.000 0.000 0.213 224 D C 1.361 177.732 176.300 0.119 0.000 1.031 224 D CA 0.702 54.785 54.000 0.139 0.000 0.861 224 D CB 0.006 40.848 40.800 0.072 0.000 0.926 224 D HN 0.171 nan 8.370 nan 0.000 0.520 225 G N 1.784 110.671 108.800 0.146 0.000 2.198 225 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 225 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 225 G C 0.143 175.115 174.900 0.119 0.000 1.042 225 G CA 0.343 45.526 45.100 0.139 0.000 0.791 225 G HN 0.550 nan 8.290 nan 0.000 0.502 226 D N -1.009 119.454 120.400 0.105 0.000 2.325 226 D HA 0.404 5.044 4.640 -0.000 0.000 0.234 226 D C 1.805 178.154 176.300 0.081 0.000 1.122 226 D CA 0.291 54.343 54.000 0.088 0.000 0.850 226 D CB -0.367 40.481 40.800 0.080 0.000 0.921 226 D HN 1.467 nan 8.370 nan 0.000 0.513 227 G N -0.119 108.729 108.800 0.081 0.000 2.184 227 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.264 227 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.264 227 G C 0.149 175.083 174.900 0.056 0.000 0.975 227 G CA 0.298 45.435 45.100 0.060 0.000 0.642 227 G HN 0.492 nan 8.290 nan 0.000 0.536 228 K N 0.471 120.915 120.400 0.074 0.000 2.292 228 K HA 0.709 5.029 4.320 -0.000 0.000 0.257 228 K C 0.346 177.005 176.600 0.099 0.000 0.940 228 K CA -0.151 56.186 56.287 0.084 0.000 0.811 228 K CB 1.997 34.552 32.500 0.092 0.000 1.120 228 K HN 0.477 nan 8.250 nan 0.000 0.428 229 A N 3.537 126.417 122.820 0.100 0.000 2.488 229 A HA 0.087 4.407 4.320 -0.000 0.000 0.249 229 A C 0.193 177.867 177.584 0.149 0.000 1.083 229 A CA -0.219 51.888 52.037 0.117 0.000 0.768 229 A CB 0.131 19.209 19.000 0.130 0.000 1.017 229 A HN 0.693 nan 8.150 nan 0.000 0.496 230 E N 1.507 121.796 120.200 0.148 0.000 2.330 230 E HA 0.580 4.930 4.350 -0.000 0.000 0.256 230 E C -0.931 175.767 176.600 0.163 0.000 1.146 230 E CA -0.812 55.656 56.400 0.114 0.000 0.945 230 E CB 0.666 30.369 29.700 0.005 0.000 1.182 230 E HN 0.234 nan 8.360 nan 0.000 0.480 231 V N 0.019 120.025 119.914 0.152 0.000 2.482 231 V HA 0.530 4.650 4.120 -0.000 0.000 0.295 231 V C -0.670 175.561 176.094 0.228 0.000 1.026 231 V CA -0.843 61.596 62.300 0.233 0.000 0.856 231 V CB 1.312 33.303 31.823 0.280 0.000 1.001 231 V HN 0.805 nan 8.190 nan 0.000 0.424 232 A N 7.453 130.379 122.820 0.177 0.000 2.304 232 A HA 1.018 5.338 4.320 -0.000 0.000 0.323 232 A C -0.384 177.323 177.584 0.204 0.000 1.195 232 A CA -0.518 51.593 52.037 0.123 0.000 0.826 232 A CB 1.141 20.132 19.000 -0.015 0.000 1.184 232 A HN 0.979 nan 8.150 nan 0.000 0.496 233 M N 0.751 120.494 119.600 0.239 0.000 2.664 233 M HA 0.572 5.052 4.480 -0.000 0.000 0.279 233 M C -0.549 175.840 176.300 0.149 0.000 1.275 233 M CA -0.881 54.545 55.300 0.210 0.000 0.829 233 M CB 1.642 34.385 32.600 0.238 0.000 1.727 233 M HN 0.467 nan 8.290 nan 0.000 0.459 234 K N 1.901 122.317 120.400 0.027 0.000 2.368 234 K HA 0.367 4.687 4.320 -0.000 0.000 0.282 234 K C -0.683 175.893 176.600 -0.040 0.000 1.035 234 K CA 0.169 56.381 56.287 -0.125 0.000 0.973 234 K CB 0.718 32.797 32.500 -0.702 0.000 0.957 234 K HN 0.823 nan 8.250 nan 0.000 0.474 235 T N 0.189 114.774 114.554 0.051 0.000 2.910 235 T HA 0.849 5.199 4.350 -0.000 0.000 0.287 235 T C -0.640 174.134 174.700 0.123 0.000 1.050 235 T CA -1.026 61.153 62.100 0.132 0.000 1.011 235 T CB 1.845 70.850 68.868 0.229 0.000 1.195 235 T HN 0.600 nan 8.240 nan 0.000 0.540 236 A N 0.104 123.037 122.820 0.188 0.000 2.564 236 A HA 0.675 4.995 4.320 -0.000 0.000 0.288 236 A C -1.101 176.684 177.584 0.336 0.000 1.164 236 A CA -0.977 51.147 52.037 0.144 0.000 0.712 236 A CB 0.684 19.707 19.000 0.038 0.000 1.303 236 A HN 0.857 nan 8.150 nan 0.000 0.418 237 D N 0.132 120.746 120.400 0.357 0.000 2.548 237 D HA 0.334 4.974 4.640 -0.000 0.000 0.231 237 D C 1.305 177.721 176.300 0.192 0.000 1.142 237 D CA 2.310 56.511 54.000 0.335 0.000 0.866 237 D CB 0.510 41.498 40.800 0.312 0.000 1.190 237 D HN 1.554 nan 8.370 nan 0.000 0.469 238 G N 1.806 110.690 108.800 0.140 0.000 2.199 238 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 238 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 238 G C 0.572 175.526 174.900 0.091 0.000 0.982 238 G CA 0.413 45.567 45.100 0.091 0.000 0.632 238 G HN 0.599 nan 8.290 nan 0.000 0.529 239 T N 1.424 116.049 114.554 0.120 0.000 2.916 239 T HA 0.412 4.762 4.350 -0.000 0.000 0.303 239 T C 0.294 175.054 174.700 0.101 0.000 1.025 239 T CA 0.461 62.633 62.100 0.120 0.000 1.142 239 T CB 1.367 70.340 68.868 0.175 0.000 0.947 239 T HN 0.291 nan 8.240 nan 0.000 0.544 240 K N 3.328 123.777 120.400 0.081 0.000 2.339 240 K HA 0.182 4.502 4.320 -0.000 0.000 0.264 240 K C -0.053 176.585 176.600 0.063 0.000 0.986 240 K CA -0.808 55.516 56.287 0.062 0.000 0.866 240 K CB 0.823 33.346 32.500 0.039 0.000 1.103 240 K HN 0.748 nan 8.250 nan 0.000 0.441 241 D N 2.326 122.785 120.400 0.098 0.000 2.372 241 D HA -0.006 4.634 4.640 -0.000 0.000 0.243 241 D C 1.139 177.430 176.300 -0.016 0.000 1.297 241 D CA -0.178 53.884 54.000 0.103 0.000 0.958 241 D CB 0.374 41.289 40.800 0.193 0.000 1.114 241 D HN 0.522 nan 8.370 nan 0.000 0.496 242 G N -1.489 107.241 108.800 -0.117 0.000 2.470 242 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 242 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 242 G C 1.428 176.332 174.900 0.007 0.000 1.121 242 G CA 1.431 46.496 45.100 -0.057 0.000 0.766 242 G HN 0.727 nan 8.290 nan 0.000 0.553 243 T N -3.008 111.537 114.554 -0.015 0.000 3.023 243 T HA 0.341 4.691 4.350 -0.000 0.000 0.266 243 T C 1.865 176.572 174.700 0.011 0.000 1.093 243 T CA 1.187 63.289 62.100 0.002 0.000 1.129 243 T CB 0.017 68.880 68.868 -0.007 0.000 0.899 243 T HN 1.321 nan 8.240 nan 0.000 0.491 244 G N 1.034 109.841 108.800 0.012 0.000 2.154 244 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.186 244 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.186 244 G C -0.132 174.776 174.900 0.013 0.000 1.000 244 G CA -0.003 45.105 45.100 0.014 0.000 0.664 244 G HN 0.870 nan 8.290 nan 0.000 0.513 245 K N 0.749 121.155 120.400 0.011 0.000 2.218 245 K HA 0.607 4.927 4.320 -0.000 0.000 0.276 245 K C 0.342 176.952 176.600 0.016 0.000 1.022 245 K CA -0.494 55.797 56.287 0.006 0.000 0.946 245 K CB 1.089 33.585 32.500 -0.007 0.000 1.000 245 K HN 0.043 nan 8.250 nan 0.000 0.468 246 V N 5.804 125.725 119.914 0.012 0.000 2.481 246 V HA 0.289 4.409 4.120 -0.000 0.000 0.286 246 V C 0.294 176.391 176.094 0.006 0.000 1.042 246 V CA -0.761 61.553 62.300 0.023 0.000 0.928 246 V CB 1.190 33.029 31.823 0.027 0.000 0.986 246 V HN 0.712 nan 8.190 nan 0.000 0.462 247 I N 4.273 124.851 120.570 0.013 0.000 2.474 247 I HA 0.549 4.719 4.170 -0.000 0.000 0.287 247 I C 1.268 177.377 176.117 -0.013 0.000 1.048 247 I CA 1.093 62.364 61.300 -0.048 0.000 1.383 247 I CB 0.831 38.793 38.000 -0.064 0.000 1.412 247 I HN 0.938 nan 8.210 nan 0.000 0.531 248 G N 5.699 114.447 108.800 -0.087 0.000 2.566 248 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.280 248 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.280 248 G C 0.033 174.977 174.900 0.073 0.000 1.225 248 G CA -0.204 44.908 45.100 0.019 0.000 0.966 248 G HN 0.670 nan 8.290 nan 0.000 0.560 249 N N 1.845 120.625 118.700 0.134 0.000 2.437 249 N HA 0.529 5.269 4.740 -0.000 0.000 0.243 249 N C 1.376 176.925 175.510 0.065 0.000 1.041 249 N CA 0.854 53.958 53.050 0.090 0.000 0.940 249 N CB 0.963 39.512 38.487 0.104 0.000 1.133 249 N HN 1.073 nan 8.380 nan 0.000 0.506 250 A N 4.011 126.855 122.820 0.040 0.000 2.024 250 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 250 A C 1.391 178.981 177.584 0.011 0.000 1.164 250 A CA 1.523 53.577 52.037 0.029 0.000 0.643 250 A CB -0.279 18.732 19.000 0.019 0.000 0.806 250 A HN 0.846 nan 8.150 nan 0.000 0.451 251 N N -0.712 117.985 118.700 -0.005 0.000 2.236 251 N HA 0.372 5.112 4.740 -0.000 0.000 0.196 251 N C 0.388 175.850 175.510 -0.081 0.000 1.114 251 N CA 0.196 53.228 53.050 -0.031 0.000 0.859 251 N CB 0.231 38.703 38.487 -0.024 0.000 0.982 251 N HN 0.443 nan 8.380 nan 0.000 0.493 252 A N 1.011 123.765 122.820 -0.110 0.000 2.498 252 A HA 0.135 4.455 4.320 -0.000 0.000 0.239 252 A C -0.337 177.039 177.584 -0.347 0.000 1.068 252 A CA 0.474 52.327 52.037 -0.308 0.000 0.766 252 A CB 0.267 19.056 19.000 -0.352 0.000 1.003 252 A HN 0.121 nan 8.150 nan 0.000 0.497 253 D N 0.915 121.022 120.400 -0.488 0.000 2.476 253 D HA 0.409 5.049 4.640 -0.000 0.000 0.251 253 D C -0.932 175.167 176.300 -0.335 0.000 1.291 253 D CA -0.234 53.594 54.000 -0.287 0.000 0.939 253 D CB 0.397 41.125 40.800 -0.120 0.000 1.221 253 D HN 0.364 nan 8.370 nan 0.000 0.567 254 Y N 1.456 121.774 120.300 0.030 0.000 2.458 254 Y HA 0.295 4.845 4.550 -0.000 0.000 0.256 254 Y C 0.877 176.787 175.900 0.016 0.000 1.159 254 Y CA -0.294 57.816 58.100 0.017 0.000 1.261 254 Y CB 0.191 38.648 38.460 -0.005 0.000 1.119 254 Y HN 0.072 nan 8.280 nan 0.000 0.524 255 R N 2.876 123.461 120.500 0.142 0.000 2.446 255 R HA -0.015 4.325 4.340 -0.000 0.000 0.314 255 R C 0.480 176.844 176.300 0.106 0.000 1.003 255 R CA -0.166 55.999 56.100 0.108 0.000 1.018 255 R CB -0.078 30.355 30.300 0.222 0.000 0.945 255 R HN 0.334 nan 8.270 nan 0.000 0.419 256 N N 1.899 120.615 118.700 0.028 0.000 2.290 256 N HA -0.081 4.659 4.740 -0.000 0.000 0.269 256 N C 0.283 175.795 175.510 0.002 0.000 1.295 256 N CA -0.102 52.966 53.050 0.030 0.000 0.932 256 N CB 0.400 38.895 38.487 0.013 0.000 1.128 256 N HN 0.468 nan 8.380 nan 0.000 0.532 257 E N -1.224 118.994 120.200 0.031 0.000 2.265 257 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 257 E C 0.860 177.431 176.600 -0.049 0.000 0.996 257 E CA 0.968 57.407 56.400 0.065 0.000 0.832 257 E CB -0.115 29.622 29.700 0.062 0.000 0.756 257 E HN 0.581 nan 8.360 nan 0.000 0.491 258 Q N -0.753 118.948 119.800 -0.165 0.000 2.247 258 Q HA 0.125 4.465 4.340 -0.000 0.000 0.204 258 Q C 0.686 176.408 176.000 -0.463 0.000 0.872 258 Q CA 0.329 56.004 55.803 -0.214 0.000 0.951 258 Q CB 1.253 29.942 28.738 -0.082 0.000 1.099 258 Q HN 0.367 nan 8.270 nan 0.000 0.501 259 G N 2.088 110.350 108.800 -0.898 0.000 2.153 259 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.252 259 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.252 259 G C -0.053 174.582 174.900 -0.441 0.000 0.994 259 G CA 0.055 44.467 45.100 -1.146 0.000 0.698 259 G HN 0.202 nan 8.290 nan 0.000 0.521 260 R N -0.600 119.737 120.500 -0.273 0.000 2.474 260 R HA 0.517 4.857 4.340 -0.000 0.000 0.295 260 R C -0.149 176.092 176.300 -0.098 0.000 0.980 260 R CA -0.753 55.259 56.100 -0.147 0.000 0.934 260 R CB 2.034 32.296 30.300 -0.063 0.000 1.101 260 R HN 0.061 nan 8.270 nan 0.000 0.469 261 V N 5.627 125.492 119.914 -0.082 0.000 2.320 261 V HA 0.143 4.263 4.120 -0.000 0.000 0.265 261 V C 0.734 176.813 176.094 -0.025 0.000 1.048 261 V CA 0.039 62.325 62.300 -0.023 0.000 0.865 261 V CB 0.606 32.415 31.823 -0.025 0.000 1.043 261 V HN 0.695 nan 8.190 nan 0.000 0.474 262 L N 4.076 125.291 121.223 -0.012 0.000 3.069 262 L HA 0.335 4.675 4.340 -0.000 0.000 0.271 262 L C 0.663 177.508 176.870 -0.041 0.000 1.201 262 L CA 0.124 54.948 54.840 -0.027 0.000 1.015 262 L CB 0.516 42.567 42.059 -0.014 0.000 1.371 262 L HN 0.776 nan 8.230 nan 0.000 0.574 263 S N -1.476 114.180 115.700 -0.074 0.000 2.705 263 S HA 0.888 5.357 4.470 -0.000 0.000 0.280 263 S C -0.053 174.235 174.600 -0.521 0.000 1.174 263 S CA -0.208 57.886 58.200 -0.177 0.000 0.823 263 S CB 2.256 65.415 63.200 -0.070 0.000 1.162 263 S HN 0.294 nan 8.310 nan 0.000 0.487 264 G N 0.619 108.957 108.800 -0.769 0.000 2.795 264 G HA2 0.086 4.046 3.960 -0.000 0.000 0.664 264 G HA3 0.086 4.046 3.960 -0.000 0.000 0.664 264 G C -3.277 171.241 174.900 -0.635 0.000 1.381 264 G CA -0.437 43.869 45.100 -1.323 0.000 0.853 264 G HN 0.851 nan 8.290 nan 0.000 0.545 265 P HA 0.464 nan 4.420 nan 0.000 0.278 265 P C -0.418 176.520 177.300 -0.604 0.000 1.238 265 P CA -0.038 62.809 63.100 -0.422 0.000 0.794 265 P CB 1.172 32.678 31.700 -0.324 0.000 0.955 266 E N 1.134 121.032 120.200 -0.504 0.000 2.207 266 E HA 0.496 4.846 4.350 -0.000 0.000 0.270 266 E C -0.914 175.430 176.600 -0.427 0.000 0.927 266 E CA -0.472 55.659 56.400 -0.448 0.000 0.799 266 E CB 1.090 30.677 29.700 -0.188 0.000 1.172 266 E HN 0.378 nan 8.360 nan 0.000 0.404 267 Y N 0.377 120.720 120.300 0.072 0.000 2.602 267 Y HA 0.500 5.049 4.550 -0.000 0.000 0.342 267 Y C -0.727 175.267 175.900 0.157 0.000 1.029 267 Y CA -1.272 56.884 58.100 0.093 0.000 1.080 267 Y CB 1.146 39.616 38.460 0.017 0.000 1.284 267 Y HN 0.342 nan 8.280 nan 0.000 0.485 268 L N 1.304 122.688 121.223 0.268 0.000 2.333 268 L HA 0.789 5.129 4.340 -0.000 0.000 0.280 268 L C -0.799 176.018 176.870 -0.088 0.000 1.004 268 L CA -0.117 54.786 54.840 0.105 0.000 0.820 268 L CB 1.663 43.652 42.059 -0.117 0.000 1.247 268 L HN 0.660 nan 8.230 nan 0.000 0.416 269 T N 4.349 118.807 114.554 -0.161 0.000 2.824 269 T HA 0.570 4.920 4.350 -0.000 0.000 0.282 269 T C -0.780 173.616 174.700 -0.507 0.000 0.993 269 T CA -0.427 61.401 62.100 -0.453 0.000 0.967 269 T CB 1.667 70.066 68.868 -0.782 0.000 0.960 269 T HN 0.368 nan 8.240 nan 0.000 0.441 270 V N 4.304 123.858 119.914 -0.600 0.000 2.432 270 V HA 0.476 4.596 4.120 -0.000 0.000 0.275 270 V C -0.641 175.063 176.094 -0.650 0.000 1.043 270 V CA -0.587 61.345 62.300 -0.612 0.000 0.925 270 V CB 0.059 31.231 31.823 -1.085 0.000 0.985 270 V HN 0.745 nan 8.190 nan 0.000 0.466 271 F N 2.080 121.846 119.950 -0.306 0.000 2.450 271 F HA 0.443 4.970 4.527 -0.000 0.000 0.332 271 F C 0.555 176.185 175.800 -0.284 0.000 1.093 271 F CA -0.648 57.163 58.000 -0.315 0.000 1.003 271 F CB 1.396 40.153 39.000 -0.406 0.000 1.151 271 F HN 0.405 nan 8.300 nan 0.000 0.474 272 Q N 1.493 121.245 119.800 -0.079 0.000 2.263 272 Q HA 0.105 4.445 4.340 -0.000 0.000 0.289 272 Q C 1.340 177.300 176.000 -0.065 0.000 1.061 272 Q CA 0.483 56.253 55.803 -0.054 0.000 0.927 272 Q CB 1.146 29.856 28.738 -0.047 0.000 1.154 272 Q HN 0.992 nan 8.270 nan 0.000 0.378 273 G N 2.229 111.069 108.800 0.066 0.000 2.529 273 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.219 273 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.219 273 G C 1.305 176.415 174.900 0.350 0.000 1.177 273 G CA 1.138 46.364 45.100 0.210 0.000 0.773 273 G HN 0.744 nan 8.290 nan 0.000 0.573 274 S N -0.091 115.744 115.700 0.226 0.000 2.414 274 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 274 S C 2.172 176.956 174.600 0.307 0.000 1.022 274 S CA 1.904 60.268 58.200 0.272 0.000 0.958 274 S CB -0.422 62.872 63.200 0.157 0.000 0.797 274 S HN 0.605 nan 8.310 nan 0.000 0.493 275 T N -3.193 111.392 114.554 0.053 0.000 2.990 275 T HA 0.501 4.851 4.350 -0.000 0.000 0.250 275 T C 1.631 176.036 174.700 -0.492 0.000 1.041 275 T CA 0.550 62.625 62.100 -0.042 0.000 1.010 275 T CB -0.169 68.677 68.868 -0.037 0.000 1.003 275 T HN 1.004 nan 8.240 nan 0.000 0.499 276 G N 2.152 110.243 108.800 -1.182 0.000 2.168 276 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 276 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 276 G C -0.021 174.576 174.900 -0.505 0.000 0.997 276 G CA 0.652 44.799 45.100 -1.588 0.000 0.708 276 G HN 0.932 nan 8.290 nan 0.000 0.520 277 K N 0.910 121.154 120.400 -0.260 0.000 2.270 277 K HA 0.326 4.646 4.320 -0.000 0.000 0.276 277 K C 0.643 177.218 176.600 -0.041 0.000 1.023 277 K CA -0.407 55.828 56.287 -0.088 0.000 0.955 277 K CB 0.430 32.886 32.500 -0.074 0.000 0.975 277 K HN 0.261 nan 8.250 nan 0.000 0.471 278 E N 5.630 125.792 120.200 -0.063 0.000 2.220 278 E HA -0.031 4.319 4.350 -0.000 0.000 0.272 278 E C 0.154 176.615 176.600 -0.232 0.000 1.099 278 E CA -0.075 56.148 56.400 -0.295 0.000 0.907 278 E CB 0.451 29.972 29.700 -0.299 0.000 1.022 278 E HN 0.698 nan 8.360 nan 0.000 0.428 279 L N 4.203 125.266 121.223 -0.265 0.000 2.084 279 L HA 0.035 4.375 4.340 -0.000 0.000 0.202 279 L C 0.941 177.753 176.870 -0.097 0.000 1.074 279 L CA 0.574 55.340 54.840 -0.124 0.000 0.757 279 L CB -0.067 41.956 42.059 -0.060 0.000 0.918 279 L HN 0.497 nan 8.230 nan 0.000 0.444 280 V N -3.992 115.809 119.914 -0.189 0.000 2.932 280 V HA 0.558 4.678 4.120 -0.000 0.000 0.307 280 V C -0.892 175.054 176.094 -0.246 0.000 1.147 280 V CA -0.368 61.853 62.300 -0.132 0.000 0.951 280 V CB 1.956 33.809 31.823 0.050 0.000 1.031 280 V HN -0.037 nan 8.190 nan 0.000 0.426 281 T N 4.142 118.570 114.554 -0.210 0.000 2.809 281 T HA 0.860 5.210 4.350 -0.000 0.000 0.284 281 T C 0.001 174.623 174.700 -0.130 0.000 0.992 281 T CA 0.249 62.212 62.100 -0.228 0.000 0.957 281 T CB 1.242 69.912 68.868 -0.329 0.000 0.942 281 T HN 1.480 nan 8.240 nan 0.000 0.439 282 A N 3.685 126.468 122.820 -0.062 0.000 2.322 282 A HA 0.714 5.033 4.320 -0.000 0.000 0.327 282 A C 0.082 177.758 177.584 0.154 0.000 1.134 282 A CA -0.981 51.068 52.037 0.021 0.000 0.831 282 A CB 0.560 19.562 19.000 0.003 0.000 1.288 282 A HN 0.865 nan 8.150 nan 0.000 0.472 283 N N -0.188 118.630 118.700 0.197 0.000 2.407 283 N HA 0.183 4.922 4.740 -0.000 0.000 0.250 283 N C -0.708 174.915 175.510 0.188 0.000 1.236 283 N CA 0.413 53.613 53.050 0.250 0.000 0.879 283 N CB 0.292 38.881 38.487 0.169 0.000 1.088 283 N HN 0.544 nan 8.380 nan 0.000 0.450 284 F N 1.931 121.919 119.950 0.063 0.000 2.504 284 F HA 0.122 4.649 4.527 -0.000 0.000 0.369 284 F C 0.189 176.058 175.800 0.115 0.000 1.082 284 F CA 0.033 58.062 58.000 0.048 0.000 1.216 284 F CB 0.422 39.410 39.000 -0.020 0.000 1.108 284 F HN 0.438 nan 8.300 nan 0.000 0.554 285 E N 6.951 126.823 120.200 -0.547 0.000 2.266 285 E HA 0.315 4.665 4.350 -0.000 0.000 0.268 285 E C -2.595 173.636 176.600 -0.616 0.000 0.879 285 E CA -2.448 53.773 56.400 -0.298 0.000 0.762 285 E CB 1.768 31.432 29.700 -0.061 0.000 1.199 285 E HN 0.326 nan 8.360 nan 0.000 0.422 286 P HA 0.005 nan 4.420 nan 0.000 0.267 286 P C -0.913 176.617 177.300 0.384 0.000 1.209 286 P CA 0.133 63.359 63.100 0.209 0.000 0.763 286 P CB 0.560 32.495 31.700 0.392 0.000 0.816 287 A N 4.128 127.130 122.820 0.302 0.000 2.406 287 A HA 0.090 4.410 4.320 -0.000 0.000 0.243 287 A C 1.749 179.558 177.584 0.375 0.000 1.082 287 A CA -0.110 52.115 52.037 0.312 0.000 0.786 287 A CB 0.042 19.159 19.000 0.194 0.000 1.029 287 A HN 0.598 nan 8.150 nan 0.000 0.495 288 R N 0.867 121.526 120.500 0.266 0.000 2.062 288 R HA 0.110 4.450 4.340 -0.000 0.000 0.231 288 R C 1.522 178.049 176.300 0.377 0.000 1.136 288 R CA 1.760 57.998 56.100 0.229 0.000 0.948 288 R CB -0.672 29.673 30.300 0.074 0.000 0.845 288 R HN 1.524 nan 8.270 nan 0.000 0.430 289 G N 0.438 109.373 108.800 0.225 0.000 2.536 289 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.280 289 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.280 289 G C -0.697 174.296 174.900 0.156 0.000 1.152 289 G CA 0.356 45.560 45.100 0.173 0.000 0.970 289 G HN 0.575 nan 8.290 nan 0.000 0.549 290 N N 0.533 119.327 118.700 0.156 0.000 2.425 290 N HA 0.455 5.195 4.740 -0.000 0.000 0.268 290 N C 1.357 177.004 175.510 0.228 0.000 0.991 290 N CA -0.276 52.850 53.050 0.127 0.000 0.931 290 N CB 2.326 40.846 38.487 0.056 0.000 1.130 290 N HN 0.411 nan 8.380 nan 0.000 0.493 291 V N 1.794 121.814 119.914 0.176 0.000 2.277 291 V HA -0.381 3.739 4.120 -0.000 0.000 0.255 291 V C 2.366 178.600 176.094 0.234 0.000 1.074 291 V CA 2.548 64.950 62.300 0.170 0.000 1.058 291 V CB -0.784 31.066 31.823 0.045 0.000 0.656 291 V HN 0.898 nan 8.190 nan 0.000 0.449 292 S N -0.648 115.126 115.700 0.123 0.000 2.447 292 S HA -0.215 4.255 4.470 -0.000 0.000 0.233 292 S C 1.516 176.138 174.600 0.037 0.000 1.006 292 S CA 1.332 59.573 58.200 0.070 0.000 0.957 292 S CB -0.576 62.644 63.200 0.034 0.000 0.773 292 S HN 0.612 nan 8.310 nan 0.000 0.507 293 D N 1.045 121.441 120.400 -0.005 0.000 2.271 293 D HA -0.102 4.538 4.640 -0.000 0.000 0.207 293 D C 0.650 176.717 176.300 -0.389 0.000 0.983 293 D CA 0.965 54.806 54.000 -0.265 0.000 0.878 293 D CB -0.333 40.173 40.800 -0.490 0.000 0.920 293 D HN 0.740 nan 8.370 nan 0.000 0.479 294 W N -0.305 120.953 121.300 -0.071 0.000 3.278 294 W HA 0.379 5.039 4.660 -0.000 0.000 0.308 294 W C 1.567 178.033 176.519 -0.088 0.000 1.253 294 W CA 0.409 57.701 57.345 -0.089 0.000 1.759 294 W CB 0.509 29.891 29.460 -0.130 0.000 1.093 294 W HN 0.055 nan 8.180 nan 0.000 0.648 295 G N 0.657 109.497 108.800 0.067 0.000 2.205 295 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.180 295 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.180 295 G C -0.490 174.408 174.900 -0.003 0.000 1.004 295 G CA -0.164 44.947 45.100 0.020 0.000 0.670 295 G HN 0.328 nan 8.290 nan 0.000 0.496 296 D N -1.495 118.890 120.400 -0.025 0.000 2.583 296 D HA 0.684 5.324 4.640 -0.000 0.000 0.248 296 D C 0.532 176.804 176.300 -0.046 0.000 1.209 296 D CA 0.007 53.978 54.000 -0.049 0.000 0.848 296 D CB 0.912 41.597 40.800 -0.192 0.000 1.431 296 D HN -0.091 nan 8.370 nan 0.000 0.436 297 S N -1.046 114.678 115.700 0.040 0.000 2.524 297 S HA 0.046 4.516 4.470 -0.000 0.000 0.215 297 S C 0.750 175.398 174.600 0.080 0.000 0.986 297 S CA -0.197 58.037 58.200 0.057 0.000 0.911 297 S CB -0.388 62.860 63.200 0.080 0.000 0.805 297 S HN 0.605 nan 8.310 nan 0.000 0.501 298 Y N -0.269 120.032 120.300 0.001 0.000 2.478 298 Y HA 0.547 5.097 4.550 -0.000 0.000 0.261 298 Y C 1.138 177.032 175.900 -0.010 0.000 1.127 298 Y CA 0.202 58.298 58.100 -0.007 0.000 1.288 298 Y CB -0.309 38.142 38.460 -0.014 0.000 1.084 298 Y HN 0.084 nan 8.280 nan 0.000 0.530 299 G N 1.419 109.962 108.800 -0.428 0.000 2.226 299 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.176 299 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.176 299 G C 0.346 175.020 174.900 -0.376 0.000 1.042 299 G CA 0.275 45.195 45.100 -0.301 0.000 0.732 299 G HN 0.467 nan 8.290 nan 0.000 0.494 300 N N 0.348 118.624 118.700 -0.707 0.000 2.178 300 N HA 0.053 4.793 4.740 -0.000 0.000 0.189 300 N C 2.237 177.535 175.510 -0.353 0.000 1.048 300 N CA 1.296 54.077 53.050 -0.447 0.000 0.855 300 N CB -0.178 38.018 38.487 -0.484 0.000 1.028 300 N HN 0.498 nan 8.380 nan 0.000 0.441 301 R N 0.158 120.463 120.500 -0.326 0.000 2.115 301 R HA -0.014 4.326 4.340 -0.000 0.000 0.230 301 R C 2.110 178.191 176.300 -0.365 0.000 1.111 301 R CA 0.744 56.717 56.100 -0.213 0.000 0.976 301 R CB -0.544 29.734 30.300 -0.036 0.000 0.870 301 R HN 0.128 nan 8.270 nan 0.000 0.445 302 V N 1.586 121.241 119.914 -0.432 0.000 2.380 302 V HA -0.211 3.909 4.120 -0.000 0.000 0.251 302 V C 0.287 175.755 176.094 -1.043 0.000 1.063 302 V CA 1.954 63.684 62.300 -0.949 0.000 1.055 302 V CB -0.123 31.301 31.823 -0.664 0.000 0.657 302 V HN 0.259 nan 8.190 nan 0.000 0.455 303 D N 0.597 120.555 120.400 -0.736 0.000 2.894 303 D HA 0.205 4.845 4.640 -0.000 0.000 0.248 303 D C 0.036 175.709 176.300 -1.046 0.000 1.291 303 D CA -0.079 53.414 54.000 -0.845 0.000 0.840 303 D CB -0.090 40.659 40.800 -0.085 0.000 1.044 303 D HN 0.279 nan 8.370 nan 0.000 0.484 304 R N 1.023 120.846 120.500 -1.128 0.000 2.522 304 R HA 0.267 4.607 4.340 -0.000 0.000 0.290 304 R C -0.491 175.402 176.300 -0.679 0.000 1.216 304 R CA -0.529 55.040 56.100 -0.884 0.000 1.250 304 R CB -0.450 29.155 30.300 -1.157 0.000 1.143 304 R HN -0.033 nan 8.270 nan 0.000 0.553 305 F N 2.169 122.061 119.950 -0.097 0.000 2.399 305 F HA 0.503 5.030 4.527 -0.000 0.000 0.334 305 F C 0.730 176.621 175.800 0.152 0.000 1.097 305 F CA -0.569 57.456 58.000 0.042 0.000 1.076 305 F CB 1.063 40.081 39.000 0.029 0.000 1.162 305 F HN 0.066 nan 8.300 nan 0.000 0.495 306 L N 1.815 123.281 121.223 0.406 0.000 2.327 306 L HA 0.947 5.287 4.340 -0.000 0.000 0.258 306 L C -0.739 176.300 176.870 0.281 0.000 1.024 306 L CA -1.097 53.916 54.840 0.289 0.000 0.825 306 L CB 2.257 44.457 42.059 0.236 0.000 1.386 306 L HN 0.733 nan 8.230 nan 0.000 0.417 307 A N 0.153 123.091 122.820 0.196 0.000 2.587 307 A HA 0.954 5.274 4.320 -0.000 0.000 0.293 307 A C -0.897 176.776 177.584 0.149 0.000 1.087 307 A CA -0.089 52.053 52.037 0.176 0.000 0.692 307 A CB 2.037 21.131 19.000 0.156 0.000 1.291 307 A HN 0.797 nan 8.150 nan 0.000 0.407 308 G N -0.116 108.765 108.800 0.136 0.000 2.677 308 G HA2 0.574 4.534 3.960 -0.000 0.000 0.291 308 G HA3 0.574 4.534 3.960 -0.000 0.000 0.291 308 G C -1.552 173.394 174.900 0.076 0.000 1.435 308 G CA -0.521 44.671 45.100 0.153 0.000 0.826 308 G HN 0.550 nan 8.290 nan 0.000 0.491 309 I N 0.715 121.309 120.570 0.040 0.000 2.412 309 I HA 0.745 4.915 4.170 -0.000 0.000 0.296 309 I C 0.288 176.375 176.117 -0.051 0.000 0.987 309 I CA -1.005 60.211 61.300 -0.140 0.000 1.180 309 I CB 1.099 38.808 38.000 -0.485 0.000 1.340 309 I HN 0.766 nan 8.210 nan 0.000 0.455 310 A N 5.652 128.423 122.820 -0.082 0.000 2.488 310 A HA 0.606 4.926 4.320 -0.000 0.000 0.295 310 A C -1.711 175.884 177.584 0.018 0.000 1.045 310 A CA -0.517 51.568 52.037 0.079 0.000 0.703 310 A CB 0.833 19.912 19.000 0.132 0.000 1.271 310 A HN 0.482 nan 8.150 nan 0.000 0.400 311 Y N 3.671 123.996 120.300 0.042 0.000 2.636 311 Y HA 0.238 4.788 4.550 -0.000 0.000 0.341 311 Y C 1.274 177.231 175.900 0.096 0.000 1.169 311 Y CA -0.239 57.899 58.100 0.063 0.000 1.498 311 Y CB 0.075 38.574 38.460 0.065 0.000 1.362 311 Y HN 0.635 nan 8.280 nan 0.000 0.494 312 L N 0.793 122.130 121.223 0.191 0.000 2.109 312 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 312 L C 1.781 178.784 176.870 0.222 0.000 1.086 312 L CA 1.375 56.372 54.840 0.262 0.000 0.760 312 L CB -0.142 42.098 42.059 0.302 0.000 0.910 312 L HN 0.512 nan 8.230 nan 0.000 0.437 313 D N -0.435 120.067 120.400 0.170 0.000 2.349 313 D HA 0.003 4.643 4.640 -0.000 0.000 0.224 313 D C 1.459 177.832 176.300 0.122 0.000 1.029 313 D CA 0.747 54.826 54.000 0.132 0.000 0.879 313 D CB 0.020 40.889 40.800 0.116 0.000 0.906 313 D HN 0.259 nan 8.370 nan 0.000 0.528 314 G N 0.082 108.990 108.800 0.179 0.000 2.148 314 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.254 314 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.254 314 G C 0.671 175.699 174.900 0.214 0.000 0.981 314 G CA 0.705 45.904 45.100 0.165 0.000 0.670 314 G HN 0.554 nan 8.290 nan 0.000 0.528 315 Q N -1.583 118.418 119.800 0.336 0.000 2.485 315 Q HA 0.188 4.528 4.340 -0.000 0.000 0.228 315 Q C 0.885 177.225 176.000 0.566 0.000 0.763 315 Q CA -0.090 55.938 55.803 0.375 0.000 0.959 315 Q CB 0.912 29.808 28.738 0.262 0.000 1.314 315 Q HN 0.552 nan 8.270 nan 0.000 0.508 316 R N 1.648 122.382 120.500 0.390 0.000 2.740 316 R HA 0.510 4.850 4.340 -0.000 0.000 0.282 316 R C -2.648 173.455 176.300 -0.327 0.000 0.969 316 R CA -2.033 54.157 56.100 0.150 0.000 0.918 316 R CB 1.826 32.213 30.300 0.145 0.000 1.175 316 R HN 0.109 nan 8.270 nan 0.000 0.464 317 P HA 0.097 nan 4.420 nan 0.000 0.275 317 P C -0.871 176.237 177.300 -0.320 0.000 1.228 317 P CA -0.182 62.438 63.100 -0.800 0.000 0.786 317 P CB 1.211 32.601 31.700 -0.517 0.000 0.927 318 S N 1.454 116.985 115.700 -0.281 0.000 2.542 318 S HA 0.448 4.918 4.470 -0.000 0.000 0.293 318 S C -0.513 174.023 174.600 -0.107 0.000 1.089 318 S CA -0.637 57.485 58.200 -0.130 0.000 0.961 318 S CB 1.124 64.264 63.200 -0.101 0.000 1.062 318 S HN 0.396 nan 8.310 nan 0.000 0.483 319 L N 3.784 124.988 121.223 -0.031 0.000 2.290 319 L HA 0.512 4.852 4.340 -0.000 0.000 0.284 319 L C -1.162 175.713 176.870 0.010 0.000 1.078 319 L CA -0.065 54.783 54.840 0.014 0.000 0.815 319 L CB 0.151 42.246 42.059 0.061 0.000 1.162 319 L HN 0.477 nan 8.230 nan 0.000 0.435 320 I N 6.513 127.090 120.570 0.012 0.000 2.339 320 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 320 I C -0.258 175.919 176.117 0.100 0.000 0.994 320 I CA -0.533 60.765 61.300 -0.004 0.000 1.191 320 I CB 1.371 39.389 38.000 0.029 0.000 1.343 320 I HN 0.562 nan 8.210 nan 0.000 0.458 321 M N 5.811 125.486 119.600 0.125 0.000 2.268 321 M HA 0.419 4.899 4.480 -0.000 0.000 0.344 321 M C 0.216 176.644 176.300 0.213 0.000 1.106 321 M CA -0.504 54.923 55.300 0.212 0.000 1.010 321 M CB 1.621 34.337 32.600 0.193 0.000 1.649 321 M HN 0.712 nan 8.290 nan 0.000 0.443 322 T N 1.065 115.817 114.554 0.330 0.000 2.916 322 T HA 0.862 5.212 4.350 -0.000 0.000 0.292 322 T C -0.805 174.154 174.700 0.432 0.000 1.055 322 T CA -0.959 61.338 62.100 0.330 0.000 1.009 322 T CB 2.753 71.841 68.868 0.367 0.000 1.118 322 T HN 0.757 nan 8.240 nan 0.000 0.497 323 R N 0.671 121.353 120.500 0.303 0.000 2.522 323 R HA 0.571 4.911 4.340 -0.000 0.000 0.283 323 R C -0.185 176.134 176.300 0.033 0.000 1.074 323 R CA 0.410 56.538 56.100 0.046 0.000 0.925 323 R CB 1.141 31.461 30.300 0.034 0.000 1.205 323 R HN 1.615 nan 8.270 nan 0.000 0.436 324 G N 2.941 111.577 108.800 -0.274 0.000 2.722 324 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.686 324 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.686 324 G C -0.711 174.146 174.900 -0.070 0.000 1.282 324 G CA 0.171 45.155 45.100 -0.193 0.000 0.817 324 G HN 0.854 nan 8.290 nan 0.000 0.605 325 Y N -3.155 117.134 120.300 -0.019 0.000 2.580 325 Y HA 0.311 4.861 4.550 -0.000 0.000 0.290 325 Y C 1.954 177.794 175.900 -0.101 0.000 0.981 325 Y CA -0.031 58.068 58.100 -0.001 0.000 1.120 325 Y CB -0.489 37.905 38.460 -0.110 0.000 1.415 325 Y HN 0.481 nan 8.280 nan 0.000 0.588 326 Y N 1.478 121.831 120.300 0.087 0.000 2.263 326 Y HA 0.287 4.837 4.550 -0.000 0.000 0.292 326 Y C 1.948 177.870 175.900 0.038 0.000 1.130 326 Y CA 1.127 59.245 58.100 0.031 0.000 1.179 326 Y CB 0.115 38.522 38.460 -0.088 0.000 0.998 326 Y HN 0.345 nan 8.280 nan 0.000 0.532 327 A N -0.425 122.509 122.820 0.190 0.000 3.102 327 A HA 0.247 4.567 4.320 -0.000 0.000 0.183 327 A C -0.407 177.224 177.584 0.079 0.000 0.985 327 A CA -0.662 51.438 52.037 0.105 0.000 1.237 327 A CB -0.311 18.729 19.000 0.066 0.000 1.856 327 A HN -0.074 nan 8.150 nan 0.000 0.670 328 K N 1.364 121.764 120.400 0.000 0.000 2.477 328 K HA 0.096 4.416 4.320 -0.000 0.000 0.275 328 K C -1.112 175.543 176.600 0.091 0.000 1.054 328 K CA 1.027 57.249 56.287 -0.109 0.000 1.135 328 K CB -0.265 31.928 32.500 -0.511 0.000 0.854 328 K HN 0.497 nan 8.250 nan 0.000 0.484 329 T N 5.829 120.426 114.554 0.072 0.000 2.840 329 T HA 0.404 4.754 4.350 -0.000 0.000 0.287 329 T C -0.437 174.312 174.700 0.082 0.000 0.991 329 T CA -0.612 61.577 62.100 0.148 0.000 0.964 329 T CB 0.935 69.865 68.868 0.104 0.000 0.954 329 T HN 0.525 nan 8.240 nan 0.000 0.438 330 M N 3.460 123.172 119.600 0.187 0.000 2.465 330 M HA 0.605 5.085 4.480 -0.000 0.000 0.316 330 M C -1.546 174.799 176.300 0.075 0.000 1.121 330 M CA -0.892 54.485 55.300 0.128 0.000 0.934 330 M CB 1.880 34.633 32.600 0.256 0.000 1.692 330 M HN 0.321 nan 8.290 nan 0.000 0.444 331 L N 2.951 124.194 121.223 0.034 0.000 2.385 331 L HA 0.730 5.070 4.340 -0.000 0.000 0.273 331 L C -1.024 175.897 176.870 0.086 0.000 0.990 331 L CA -0.560 54.321 54.840 0.069 0.000 0.821 331 L CB 2.186 44.282 42.059 0.062 0.000 1.279 331 L HN 0.365 nan 8.230 nan 0.000 0.412 332 V N 1.796 121.643 119.914 -0.112 0.000 2.588 332 V HA 0.848 4.968 4.120 -0.000 0.000 0.304 332 V C -0.027 175.599 176.094 -0.780 0.000 1.042 332 V CA -0.813 61.225 62.300 -0.437 0.000 0.877 332 V CB 1.723 33.274 31.823 -0.454 0.000 0.996 332 V HN 0.833 nan 8.190 nan 0.000 0.425 333 A N 4.132 126.123 122.820 -1.381 0.000 2.303 333 A HA 0.886 5.206 4.320 -0.000 0.000 0.317 333 A C -1.373 175.657 177.584 -0.923 0.000 1.149 333 A CA -0.264 51.019 52.037 -1.257 0.000 0.822 333 A CB 0.605 18.395 19.000 -2.015 0.000 1.131 333 A HN 0.749 nan 8.150 nan 0.000 0.493 334 Y N 0.167 120.240 120.300 -0.379 0.000 2.524 334 Y HA 0.370 4.920 4.550 -0.000 0.000 0.347 334 Y C 0.115 175.933 175.900 -0.137 0.000 1.005 334 Y CA -0.516 57.454 58.100 -0.217 0.000 1.025 334 Y CB 2.368 40.740 38.460 -0.147 0.000 1.275 334 Y HN 0.820 nan 8.280 nan 0.000 0.460 335 N N 1.494 120.251 118.700 0.094 0.000 2.405 335 N HA 0.435 5.175 4.740 -0.000 0.000 0.299 335 N C -1.875 173.741 175.510 0.176 0.000 1.075 335 N CA -0.670 52.433 53.050 0.088 0.000 0.884 335 N CB 1.419 39.920 38.487 0.025 0.000 1.194 335 N HN 0.414 nan 8.380 nan 0.000 0.491 336 F N 2.973 122.930 119.950 0.011 0.000 2.359 336 F HA 0.460 4.987 4.527 -0.000 0.000 0.369 336 F C -0.676 175.133 175.800 0.015 0.000 1.084 336 F CA -0.504 57.499 58.000 0.006 0.000 1.096 336 F CB 0.260 39.259 39.000 -0.003 0.000 1.335 336 F HN 0.293 nan 8.300 nan 0.000 0.457 337 R N 4.401 124.668 120.500 -0.388 0.000 2.604 337 R HA 0.309 4.649 4.340 -0.000 0.000 0.281 337 R C -1.118 174.960 176.300 -0.370 0.000 1.020 337 R CA -0.879 55.043 56.100 -0.297 0.000 0.899 337 R CB 1.684 31.919 30.300 -0.109 0.000 1.205 337 R HN 0.594 nan 8.270 nan 0.000 0.450 338 D N 1.498 121.717 120.400 -0.302 0.000 2.723 338 D HA -0.166 4.474 4.640 -0.000 0.000 0.236 338 D C 0.672 176.789 176.300 -0.304 0.000 1.138 338 D CA 1.517 55.381 54.000 -0.227 0.000 0.676 338 D CB -1.122 39.595 40.800 -0.138 0.000 1.069 338 D HN 1.111 nan 8.370 nan 0.000 0.430 339 G N -0.273 108.220 108.800 -0.512 0.000 2.233 339 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.270 339 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.270 339 G C 0.164 174.848 174.900 -0.361 0.000 1.011 339 G CA 1.213 46.048 45.100 -0.442 0.000 0.762 339 G HN 0.528 nan 8.290 nan 0.000 0.511 340 K N -1.121 118.970 120.400 -0.515 0.000 2.316 340 K HA 0.719 5.039 4.320 -0.000 0.000 0.251 340 K C -0.674 175.881 176.600 -0.074 0.000 0.934 340 K CA -1.076 55.102 56.287 -0.182 0.000 0.802 340 K CB 2.303 34.729 32.500 -0.123 0.000 1.171 340 K HN 0.083 nan 8.250 nan 0.000 0.426 341 L N 2.180 123.487 121.223 0.140 0.000 2.287 341 L HA 0.475 4.815 4.340 -0.000 0.000 0.287 341 L C -1.147 175.806 176.870 0.138 0.000 1.022 341 L CA 0.197 55.166 54.840 0.216 0.000 0.814 341 L CB 1.288 43.455 42.059 0.180 0.000 1.217 341 L HN 0.731 nan 8.230 nan 0.000 0.420 342 S N 3.353 119.144 115.700 0.151 0.000 2.594 342 S HA 0.449 4.919 4.470 -0.000 0.000 0.296 342 S C -0.685 173.965 174.600 0.084 0.000 1.124 342 S CA -0.999 57.259 58.200 0.097 0.000 1.011 342 S CB 1.325 64.542 63.200 0.028 0.000 1.016 342 S HN 0.626 nan 8.310 nan 0.000 0.485 343 K N 3.126 123.529 120.400 0.004 0.000 2.402 343 K HA 0.263 4.583 4.320 -0.000 0.000 0.285 343 K C 0.180 176.637 176.600 -0.239 0.000 1.054 343 K CA -0.391 55.728 56.287 -0.280 0.000 1.001 343 K CB 0.136 32.485 32.500 -0.252 0.000 0.946 343 K HN 0.759 nan 8.250 nan 0.000 0.473 344 L N 4.498 125.504 121.223 -0.361 0.000 2.062 344 L HA 0.178 4.518 4.340 -0.000 0.000 0.202 344 L C 0.637 177.430 176.870 -0.128 0.000 1.079 344 L CA 0.779 55.469 54.840 -0.250 0.000 0.755 344 L CB -0.118 41.728 42.059 -0.355 0.000 0.913 344 L HN 0.767 nan 8.230 nan 0.000 0.445 345 W N -3.051 118.131 121.300 -0.196 0.000 3.025 345 W HA 0.539 5.199 4.660 -0.000 0.000 0.343 345 W C -1.391 174.997 176.519 -0.217 0.000 1.246 345 W CA -0.758 56.479 57.345 -0.180 0.000 1.178 345 W CB 1.137 30.505 29.460 -0.154 0.000 1.463 345 W HN -0.411 nan 8.180 nan 0.000 0.578 346 T N 2.527 117.294 114.554 0.356 0.000 2.928 346 T HA 0.398 4.748 4.350 -0.000 0.000 0.296 346 T C -1.350 173.465 174.700 0.193 0.000 1.000 346 T CA -0.500 61.734 62.100 0.223 0.000 0.989 346 T CB 1.932 70.820 68.868 0.034 0.000 1.005 346 T HN 0.344 nan 8.240 nan 0.000 0.442 347 L N 3.473 124.798 121.223 0.171 0.000 2.282 347 L HA 0.697 5.037 4.340 -0.000 0.000 0.288 347 L C -0.871 175.983 176.870 -0.027 0.000 1.033 347 L CA -0.232 54.583 54.840 -0.041 0.000 0.807 347 L CB 1.124 43.065 42.059 -0.196 0.000 1.209 347 L HN 0.522 nan 8.230 nan 0.000 0.423 348 D N 1.589 121.963 120.400 -0.043 0.000 2.620 348 D HA 0.214 4.854 4.640 -0.000 0.000 0.252 348 D C 0.772 177.051 176.300 -0.034 0.000 1.207 348 D CA 0.165 54.142 54.000 -0.038 0.000 0.884 348 D CB 1.976 42.751 40.800 -0.041 0.000 1.262 348 D HN 0.614 nan 8.370 nan 0.000 0.552 349 S N 1.765 117.447 115.700 -0.029 0.000 2.423 349 S HA -0.173 4.297 4.470 -0.000 0.000 0.231 349 S C 1.708 176.282 174.600 -0.044 0.000 1.014 349 S CA 1.387 59.591 58.200 0.005 0.000 0.965 349 S CB -0.203 63.005 63.200 0.013 0.000 0.785 349 S HN 0.366 nan 8.310 nan 0.000 0.495 350 S N 0.359 115.999 115.700 -0.101 0.000 2.562 350 S HA 0.215 4.684 4.470 -0.000 0.000 0.221 350 S C 0.536 175.085 174.600 -0.085 0.000 0.975 350 S CA -0.211 57.917 58.200 -0.120 0.000 0.918 350 S CB -0.340 62.741 63.200 -0.197 0.000 0.772 350 S HN 0.150 nan 8.310 nan 0.000 0.531 351 K N 3.498 123.861 120.400 -0.062 0.000 2.383 351 K HA 0.203 4.523 4.320 -0.000 0.000 0.286 351 K C 0.135 176.715 176.600 -0.033 0.000 1.051 351 K CA -0.077 56.183 56.287 -0.045 0.000 0.974 351 K CB 0.677 33.155 32.500 -0.037 0.000 0.968 351 K HN 0.336 nan 8.250 nan 0.000 0.475 352 S N 2.171 117.849 115.700 -0.038 0.000 3.480 352 S HA 0.012 4.482 4.470 -0.000 0.000 0.411 352 S C 1.211 175.797 174.600 -0.024 0.000 1.164 352 S CA 1.481 59.661 58.200 -0.034 0.000 1.084 352 S CB -0.675 62.506 63.200 -0.033 0.000 0.759 352 S HN 0.842 nan 8.310 nan 0.000 0.515 353 G N 4.801 113.586 108.800 -0.024 0.000 2.253 353 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.209 353 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.209 353 G C 0.469 175.380 174.900 0.019 0.000 0.997 353 G CA 0.133 45.227 45.100 -0.010 0.000 0.640 353 G HN 0.657 nan 8.290 nan 0.000 0.496 354 N N 0.673 119.395 118.700 0.037 0.000 2.214 354 N HA 0.220 4.960 4.740 -0.000 0.000 0.214 354 N C 1.404 176.902 175.510 -0.021 0.000 1.132 354 N CA 0.575 53.717 53.050 0.153 0.000 0.856 354 N CB 0.428 39.047 38.487 0.220 0.000 1.020 354 N HN 0.441 nan 8.380 nan 0.000 0.509 355 E N 1.459 121.595 120.200 -0.107 0.000 2.187 355 E HA -0.135 4.215 4.350 -0.000 0.000 0.199 355 E C 1.757 178.238 176.600 -0.198 0.000 1.004 355 E CA 1.343 57.668 56.400 -0.125 0.000 0.813 355 E CB -0.209 29.425 29.700 -0.110 0.000 0.736 355 E HN 0.346 nan 8.360 nan 0.000 0.468 356 A N -0.145 122.433 122.820 -0.403 0.000 2.168 356 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 356 A C 0.932 178.217 177.584 -0.498 0.000 1.152 356 A CA 0.497 52.240 52.037 -0.492 0.000 0.716 356 A CB -0.366 18.253 19.000 -0.635 0.000 0.794 356 A HN 0.204 nan 8.150 nan 0.000 0.465 357 F N 0.000 119.923 119.950 -0.046 0.000 2.663 357 F HA 0.513 5.040 4.527 -0.000 0.000 0.299 357 F C 1.066 176.851 175.800 -0.026 0.000 1.143 357 F CA -0.464 57.502 58.000 -0.057 0.000 1.387 357 F CB -0.503 38.427 39.000 -0.116 0.000 1.019 357 F HN 0.178 nan 8.300 nan 0.000 0.523 358 A N -0.506 122.355 122.820 0.069 0.000 2.312 358 A HA 0.633 4.953 4.320 -0.000 0.000 0.328 358 A C 1.326 178.967 177.584 0.094 0.000 1.158 358 A CA -0.007 52.075 52.037 0.075 0.000 0.821 358 A CB 0.425 19.436 19.000 0.019 0.000 1.170 358 A HN 0.715 nan 8.150 nan 0.000 0.490 359 G N 0.225 109.109 108.800 0.140 0.000 2.168 359 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.257 359 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.257 359 G C 0.488 175.481 174.900 0.156 0.000 0.997 359 G CA 0.829 46.022 45.100 0.154 0.000 0.708 359 G HN 0.645 nan 8.290 nan 0.000 0.520 360 Q N -0.408 119.499 119.800 0.177 0.000 2.350 360 Q HA 0.241 4.581 4.340 -0.000 0.000 0.225 360 Q C 1.726 177.777 176.000 0.084 0.000 0.878 360 Q CA 0.727 56.617 55.803 0.145 0.000 0.935 360 Q CB 0.184 29.024 28.738 0.170 0.000 1.099 360 Q HN 0.672 nan 8.270 nan 0.000 0.527 361 G N 1.372 110.253 108.800 0.135 0.000 2.594 361 G HA2 0.240 4.200 3.960 -0.000 0.000 0.243 361 G HA3 0.240 4.200 3.960 -0.000 0.000 0.243 361 G C -0.072 174.399 174.900 -0.715 0.000 1.229 361 G CA -0.221 44.659 45.100 -0.366 0.000 0.843 361 G HN 0.065 nan 8.290 nan 0.000 0.578 362 N N -1.463 116.568 118.700 -1.114 0.000 2.563 362 N HA 0.307 5.047 4.740 -0.000 0.000 0.288 362 N C 0.680 175.329 175.510 -1.435 0.000 1.246 362 N CA -0.749 51.583 53.050 -1.198 0.000 0.946 362 N CB 0.713 38.684 38.487 -0.862 0.000 1.213 362 N HN 0.457 nan 8.380 nan 0.000 0.578 363 H N -0.200 118.368 119.070 -0.836 0.000 2.607 363 H HA 0.219 4.775 4.556 -0.000 0.000 0.288 363 H C -0.481 174.567 175.328 -0.467 0.000 1.058 363 H CA 0.230 55.878 56.048 -0.667 0.000 1.178 363 H CB -0.806 28.550 29.762 -0.677 0.000 1.340 363 H HN 0.400 nan 8.280 nan 0.000 0.591 364 N N 0.600 118.990 118.700 -0.517 0.000 3.020 364 N HA 0.357 5.097 4.740 -0.000 0.000 0.248 364 N C -1.092 174.013 175.510 -0.675 0.000 1.480 364 N CA -0.739 52.017 53.050 -0.490 0.000 0.874 364 N CB 2.171 40.394 38.487 -0.440 0.000 1.433 364 N HN 0.004 nan 8.380 nan 0.000 0.530 365 L N -3.296 117.461 121.223 -0.777 0.000 2.600 365 L HA 0.844 5.184 4.340 -0.000 0.000 0.257 365 L C -0.944 175.257 176.870 -1.115 0.000 1.048 365 L CA -0.671 53.717 54.840 -0.753 0.000 0.869 365 L CB 1.544 43.332 42.059 -0.452 0.000 1.482 365 L HN 0.585 nan 8.230 nan 0.000 0.408 366 S N 1.240 116.539 115.700 -0.668 0.000 2.542 366 S HA 0.864 5.334 4.470 -0.000 0.000 0.293 366 S C -0.858 173.686 174.600 -0.092 0.000 1.089 366 S CA -0.487 57.441 58.200 -0.453 0.000 0.961 366 S CB 1.747 64.831 63.200 -0.194 0.000 1.062 366 S HN 0.550 nan 8.310 nan 0.000 0.483 367 I N 2.188 122.874 120.570 0.194 0.000 2.410 367 I HA 0.725 4.895 4.170 -0.000 0.000 0.286 367 I C -0.133 176.116 176.117 0.221 0.000 1.009 367 I CA -0.420 61.007 61.300 0.211 0.000 1.111 367 I CB 0.705 38.876 38.000 0.284 0.000 1.262 367 I HN 0.781 nan 8.210 nan 0.000 0.443 368 A N 4.387 127.299 122.820 0.154 0.000 2.594 368 A HA 0.472 4.792 4.320 -0.000 0.000 0.295 368 A C -1.054 176.598 177.584 0.114 0.000 1.071 368 A CA -0.638 51.481 52.037 0.138 0.000 0.685 368 A CB 1.751 20.824 19.000 0.122 0.000 1.285 368 A HN 0.611 nan 8.150 nan 0.000 0.405 369 D N 1.959 122.420 120.400 0.101 0.000 2.416 369 D HA 0.223 4.863 4.640 -0.000 0.000 0.240 369 D C 1.214 177.560 176.300 0.078 0.000 1.250 369 D CA 0.592 54.642 54.000 0.083 0.000 0.967 369 D CB 0.662 41.500 40.800 0.063 0.000 1.059 369 D HN 0.673 nan 8.370 nan 0.000 0.512 370 V N 1.293 121.255 119.914 0.080 0.000 3.174 370 V HA 0.077 4.197 4.120 -0.000 0.000 0.254 370 V C 1.009 177.145 176.094 0.069 0.000 1.120 370 V CA 1.027 63.372 62.300 0.076 0.000 1.114 370 V CB -0.102 31.773 31.823 0.087 0.000 0.756 370 V HN 0.405 nan 8.190 nan 0.000 0.467 371 D N 0.154 120.595 120.400 0.068 0.000 2.363 371 D HA 0.287 4.927 4.640 -0.000 0.000 0.214 371 D C 1.620 177.947 176.300 0.046 0.000 1.093 371 D CA 0.424 54.460 54.000 0.060 0.000 0.837 371 D CB 0.149 40.990 40.800 0.069 0.000 0.948 371 D HN 0.810 nan 8.370 nan 0.000 0.507 372 G N 1.858 110.684 108.800 0.044 0.000 2.148 372 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 372 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 372 G C 0.547 175.459 174.900 0.020 0.000 0.981 372 G CA 0.514 45.634 45.100 0.034 0.000 0.670 372 G HN 0.554 nan 8.290 nan 0.000 0.528 373 D N -0.303 120.104 120.400 0.011 0.000 2.328 373 D HA 0.372 5.012 4.640 -0.000 0.000 0.221 373 D C 1.866 178.146 176.300 -0.035 0.000 1.072 373 D CA 0.723 54.713 54.000 -0.017 0.000 0.850 373 D CB -0.551 40.227 40.800 -0.037 0.000 0.922 373 D HN 1.507 nan 8.370 nan 0.000 0.516 374 G N 0.239 109.032 108.800 -0.011 0.000 2.304 374 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.252 374 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.252 374 G C 0.233 175.134 174.900 0.001 0.000 1.014 374 G CA 0.459 45.554 45.100 -0.007 0.000 0.619 374 G HN 0.515 nan 8.290 nan 0.000 0.525 375 K N 1.242 121.623 120.400 -0.031 0.000 2.110 375 K HA 0.494 4.814 4.320 -0.000 0.000 0.263 375 K C -0.855 175.793 176.600 0.079 0.000 0.975 375 K CA -0.822 55.464 56.287 -0.002 0.000 0.895 375 K CB 1.110 33.481 32.500 -0.215 0.000 1.060 375 K HN 0.094 nan 8.250 nan 0.000 0.448 376 D N 2.549 123.046 120.400 0.161 0.000 2.308 376 D HA 0.101 4.741 4.640 -0.000 0.000 0.251 376 D C -0.265 176.145 176.300 0.183 0.000 1.127 376 D CA -0.007 54.097 54.000 0.173 0.000 0.876 376 D CB 1.304 42.234 40.800 0.216 0.000 1.176 376 D HN 0.347 nan 8.370 nan 0.000 0.446 377 E N 0.691 120.974 120.200 0.138 0.000 2.227 377 E HA 0.460 4.810 4.350 -0.000 0.000 0.268 377 E C -0.407 176.241 176.600 0.080 0.000 0.990 377 E CA -0.638 55.820 56.400 0.096 0.000 0.856 377 E CB 1.320 31.056 29.700 0.060 0.000 1.159 377 E HN 0.262 nan 8.360 nan 0.000 0.401 378 I N 2.285 122.878 120.570 0.038 0.000 2.307 378 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 378 I C -0.576 175.536 176.117 -0.009 0.000 1.021 378 I CA -0.370 60.956 61.300 0.043 0.000 1.224 378 I CB 0.559 38.615 38.000 0.093 0.000 1.376 378 I HN 0.258 nan 8.210 nan 0.000 0.470 379 I N 6.649 127.203 120.570 -0.028 0.000 2.363 379 I HA 0.066 4.236 4.170 -0.000 0.000 0.292 379 I C -0.281 175.793 176.117 -0.072 0.000 1.075 379 I CA 0.053 61.313 61.300 -0.067 0.000 1.333 379 I CB -0.350 37.595 38.000 -0.092 0.000 1.415 379 I HN 0.473 nan 8.210 nan 0.000 0.502 380 F N 6.427 126.249 119.950 -0.215 0.000 2.334 380 F HA 0.527 5.054 4.527 0.000 0.000 0.343 380 F C 1.127 176.803 175.800 -0.207 0.000 1.136 380 F CA 0.137 58.013 58.000 -0.207 0.000 1.237 380 F CB 0.251 39.160 39.000 -0.153 0.000 1.525 380 F HN 0.776 nan 8.300 nan 0.000 0.528 381 G N 1.889 110.461 108.800 -0.380 0.000 2.620 381 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.315 381 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.315 381 G C 1.249 176.067 174.900 -0.137 0.000 1.179 381 G CA 0.531 45.422 45.100 -0.347 0.000 0.971 381 G HN 0.438 nan 8.290 nan 0.000 0.544 382 S N 1.211 116.892 115.700 -0.032 0.000 2.527 382 S HA 0.310 4.780 4.470 -0.000 0.000 0.222 382 S C 1.006 175.689 174.600 0.138 0.000 0.985 382 S CA 1.692 59.946 58.200 0.089 0.000 0.921 382 S CB -0.311 62.949 63.200 0.100 0.000 0.772 382 S HN 0.757 nan 8.310 nan 0.000 0.529 383 M N -0.368 119.277 119.600 0.074 0.000 2.716 383 M HA 0.888 5.367 4.480 -0.000 0.000 0.307 383 M C -1.077 175.055 176.300 -0.280 0.000 1.223 383 M CA -1.006 54.267 55.300 -0.044 0.000 0.871 383 M CB 1.889 34.591 32.600 0.170 0.000 1.739 383 M HN -0.137 nan 8.290 nan 0.000 0.475 384 A N 1.059 123.470 122.820 -0.681 0.000 2.435 384 A HA 0.829 5.149 4.320 -0.000 0.000 0.304 384 A C -1.309 175.971 177.584 -0.507 0.000 1.064 384 A CA -0.811 50.879 52.037 -0.578 0.000 0.727 384 A CB 1.837 20.377 19.000 -0.768 0.000 1.284 384 A HN 0.720 nan 8.150 nan 0.000 0.415 385 V N 2.351 122.050 119.914 -0.358 0.000 2.459 385 V HA 0.301 4.421 4.120 -0.000 0.000 0.295 385 V C -0.082 175.829 176.094 -0.304 0.000 1.029 385 V CA -0.693 61.355 62.300 -0.421 0.000 0.874 385 V CB 1.602 33.187 31.823 -0.397 0.000 0.985 385 V HN 0.983 nan 8.190 nan 0.000 0.438 386 D N 2.297 122.477 120.400 -0.365 0.000 2.371 386 D HA 0.036 4.676 4.640 -0.000 0.000 0.242 386 D C 1.501 177.624 176.300 -0.296 0.000 1.218 386 D CA -0.170 53.677 54.000 -0.255 0.000 0.945 386 D CB 0.727 41.359 40.800 -0.278 0.000 1.137 386 D HN 0.833 nan 8.370 nan 0.000 0.464 387 H N 0.671 119.680 119.070 -0.103 0.000 2.554 387 H HA -0.130 4.426 4.556 -0.000 0.000 0.290 387 H C -0.038 175.292 175.328 0.004 0.000 1.058 387 H CA 1.283 57.343 56.048 0.020 0.000 1.224 387 H CB 0.083 29.882 29.762 0.061 0.000 1.359 387 H HN 0.289 nan 8.280 nan 0.000 0.589 388 D N -1.776 118.138 120.400 -0.811 0.000 2.500 388 D HA 0.182 4.822 4.640 -0.000 0.000 0.217 388 D C 1.509 176.787 176.300 -1.702 0.000 1.159 388 D CA 0.218 53.666 54.000 -0.920 0.000 0.828 388 D CB 0.084 40.437 40.800 -0.746 0.000 1.039 388 D HN 0.421 nan 8.370 nan 0.000 0.512 389 G N 0.344 107.841 108.800 -2.172 0.000 2.134 389 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.209 389 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.209 389 G C -0.173 174.093 174.900 -1.055 0.000 0.993 389 G CA -0.290 43.430 45.100 -2.300 0.000 0.669 389 G HN 0.358 nan 8.290 nan 0.000 0.519 390 K N 0.760 120.658 120.400 -0.837 0.000 2.213 390 K HA 0.567 4.887 4.320 -0.000 0.000 0.270 390 K C 0.970 177.183 176.600 -0.646 0.000 1.002 390 K CA 0.086 56.018 56.287 -0.592 0.000 0.868 390 K CB 1.565 33.813 32.500 -0.419 0.000 1.093 390 K HN 0.345 nan 8.250 nan 0.000 0.454 391 G N 2.503 110.774 108.800 -0.882 0.000 2.414 391 G HA2 0.007 3.967 3.960 -0.000 0.000 0.236 391 G HA3 0.007 3.967 3.960 -0.000 0.000 0.236 391 G C 0.437 175.003 174.900 -0.557 0.000 1.293 391 G CA -0.162 44.174 45.100 -1.274 0.000 0.869 391 G HN 0.673 nan 8.290 nan 0.000 0.556 392 M N 1.143 120.524 119.600 -0.366 0.000 2.545 392 M HA 0.256 4.736 4.480 -0.000 0.000 0.264 392 M C 0.087 176.519 176.300 0.220 0.000 1.155 392 M CA 0.696 55.963 55.300 -0.055 0.000 1.162 392 M CB 0.292 32.876 32.600 -0.026 0.000 1.330 392 M HN 0.756 nan 8.290 nan 0.000 0.479 393 Y N -3.593 116.835 120.300 0.213 0.000 2.814 393 Y HA 0.639 5.189 4.550 -0.000 0.000 0.348 393 Y C -1.262 174.820 175.900 0.302 0.000 1.245 393 Y CA -2.010 56.232 58.100 0.237 0.000 1.086 393 Y CB 0.659 39.175 38.460 0.094 0.000 1.373 393 Y HN -0.179 nan 8.280 nan 0.000 0.451 394 S N -0.174 115.773 115.700 0.411 0.000 2.614 394 S HA 0.357 4.827 4.470 -0.000 0.000 0.275 394 S C 0.227 174.961 174.600 0.223 0.000 1.161 394 S CA -0.023 58.339 58.200 0.269 0.000 0.969 394 S CB 1.127 64.366 63.200 0.065 0.000 1.059 394 S HN 1.444 nan 8.310 nan 0.000 0.482 395 T N 1.450 116.134 114.554 0.217 0.000 3.051 395 T HA 0.223 4.573 4.350 -0.000 0.000 0.269 395 T C 1.729 176.439 174.700 0.017 0.000 1.127 395 T CA 1.160 63.316 62.100 0.092 0.000 1.107 395 T CB -0.771 68.141 68.868 0.073 0.000 0.898 395 T HN 2.051 nan 8.240 nan 0.000 0.517 396 G N 1.265 110.072 108.800 0.012 0.000 2.196 396 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.268 396 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.268 396 G C 0.715 175.571 174.900 -0.074 0.000 0.975 396 G CA 0.540 45.622 45.100 -0.031 0.000 0.648 396 G HN 0.584 nan 8.290 nan 0.000 0.538 397 L N 0.496 121.639 121.223 -0.134 0.000 2.465 397 L HA 0.367 4.707 4.340 -0.000 0.000 0.224 397 L C 1.965 178.673 176.870 -0.270 0.000 1.145 397 L CA 0.880 55.514 54.840 -0.343 0.000 0.834 397 L CB -0.565 41.063 42.059 -0.718 0.000 0.944 397 L HN 1.126 nan 8.230 nan 0.000 0.451 398 G N -0.691 108.071 108.800 -0.064 0.000 2.681 398 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.220 398 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.220 398 G C -0.384 174.584 174.900 0.114 0.000 1.353 398 G CA -0.137 44.991 45.100 0.048 0.000 0.872 398 G HN 0.431 nan 8.290 nan 0.000 0.557 399 H N 0.545 119.630 119.070 0.025 0.000 2.928 399 H HA 0.503 5.059 4.556 -0.000 0.000 0.338 399 H C 0.890 176.176 175.328 -0.069 0.000 1.047 399 H CA 1.982 57.977 56.048 -0.088 0.000 1.435 399 H CB 0.509 30.233 29.762 -0.064 0.000 1.428 399 H HN 1.260 nan 8.280 nan 0.000 0.590 400 G N 2.872 111.054 108.800 -1.030 0.000 2.798 400 G HA2 0.260 4.220 3.960 -0.000 0.000 0.286 400 G HA3 0.260 4.220 3.960 -0.000 0.000 0.286 400 G C -0.632 173.737 174.900 -0.885 0.000 1.389 400 G CA -0.541 44.089 45.100 -0.783 0.000 0.894 400 G HN 0.623 nan 8.290 nan 0.000 0.488 401 D N -0.894 119.272 120.400 -0.390 0.000 2.469 401 D HA 0.411 5.051 4.640 -0.000 0.000 0.240 401 D C 1.062 177.304 176.300 -0.098 0.000 1.087 401 D CA 0.727 54.699 54.000 -0.048 0.000 0.876 401 D CB 1.092 42.002 40.800 0.184 0.000 1.160 401 D HN 0.596 nan 8.370 nan 0.000 0.497 402 A N 0.315 122.990 122.820 -0.241 0.000 2.384 402 A HA 0.798 5.118 4.320 -0.000 0.000 0.312 402 A C -1.585 175.745 177.584 -0.424 0.000 1.113 402 A CA -0.503 51.371 52.037 -0.271 0.000 0.779 402 A CB 1.472 20.383 19.000 -0.149 0.000 1.307 402 A HN 0.075 nan 8.150 nan 0.000 0.436 403 L N 1.163 122.072 121.223 -0.523 0.000 2.641 403 L HA 0.570 4.910 4.340 -0.000 0.000 0.261 403 L C -1.950 174.553 176.870 -0.611 0.000 0.926 403 L CA 0.025 54.561 54.840 -0.507 0.000 0.917 403 L CB 1.733 43.490 42.059 -0.503 0.000 1.361 403 L HN 0.811 nan 8.230 nan 0.000 0.417 404 H N 2.379 121.323 119.070 -0.210 0.000 2.970 404 H HA 0.608 5.164 4.556 -0.000 0.000 0.315 404 H C -0.919 174.247 175.328 -0.271 0.000 0.992 404 H CA -0.452 55.499 56.048 -0.162 0.000 1.363 404 H CB 1.670 31.383 29.762 -0.083 0.000 1.532 404 H HN 0.513 nan 8.280 nan 0.000 0.514 405 T N 2.577 117.045 114.554 -0.144 0.000 2.749 405 T HA 0.664 5.014 4.350 -0.000 0.000 0.287 405 T C 0.524 175.144 174.700 -0.133 0.000 0.970 405 T CA -0.415 61.612 62.100 -0.122 0.000 0.980 405 T CB 1.123 69.963 68.868 -0.045 0.000 0.924 405 T HN 0.833 nan 8.240 nan 0.000 0.456 406 G N 1.565 110.277 108.800 -0.146 0.000 2.428 406 G HA2 0.371 4.331 3.960 -0.000 0.000 0.304 406 G HA3 0.371 4.331 3.960 -0.000 0.000 0.304 406 G C -1.781 173.130 174.900 0.018 0.000 1.303 406 G CA -0.714 44.357 45.100 -0.047 0.000 0.825 406 G HN 0.431 nan 8.290 nan 0.000 0.484 407 D N 0.972 121.448 120.400 0.126 0.000 2.517 407 D HA 0.299 4.939 4.640 -0.000 0.000 0.220 407 D C 1.607 178.057 176.300 0.251 0.000 1.158 407 D CA -0.238 53.874 54.000 0.187 0.000 0.992 407 D CB 0.307 41.269 40.800 0.269 0.000 1.058 407 D HN 0.283 nan 8.370 nan 0.000 0.516 408 L N 0.989 122.312 121.223 0.167 0.000 2.249 408 L HA 0.122 4.462 4.340 -0.000 0.000 0.207 408 L C 0.826 177.843 176.870 0.245 0.000 1.090 408 L CA 0.468 55.453 54.840 0.243 0.000 0.802 408 L CB 0.108 42.294 42.059 0.212 0.000 0.947 408 L HN 0.156 nan 8.230 nan 0.000 0.453 409 D N 0.454 120.986 120.400 0.220 0.000 2.454 409 D HA 0.177 4.817 4.640 -0.000 0.000 0.247 409 D C -1.815 174.469 176.300 -0.027 0.000 1.129 409 D CA -2.319 51.730 54.000 0.082 0.000 0.877 409 D CB 1.692 42.608 40.800 0.194 0.000 1.082 409 D HN -0.154 nan 8.370 nan 0.000 0.537 410 P HA 0.001 nan 4.420 nan 0.000 0.223 410 P C 1.432 178.690 177.300 -0.070 0.000 1.151 410 P CA 0.449 63.450 63.100 -0.166 0.000 0.787 410 P CB 0.303 31.746 31.700 -0.429 0.000 0.788 411 G N 0.497 109.250 108.800 -0.078 0.000 2.469 411 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 411 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 411 G C 1.095 176.000 174.900 0.008 0.000 1.136 411 G CA 0.288 45.371 45.100 -0.029 0.000 0.759 411 G HN 0.274 nan 8.290 nan 0.000 0.562 412 R N 0.914 121.432 120.500 0.029 0.000 2.312 412 R HA 0.302 4.642 4.340 -0.000 0.000 0.311 412 R C -2.583 173.747 176.300 0.051 0.000 1.004 412 R CA -1.778 54.352 56.100 0.049 0.000 0.902 412 R CB 1.230 31.578 30.300 0.079 0.000 1.073 412 R HN 0.078 nan 8.270 nan 0.000 0.457 413 P HA 0.078 nan 4.420 nan 0.000 0.269 413 P C -0.031 177.302 177.300 0.055 0.000 1.209 413 P CA 0.412 63.543 63.100 0.052 0.000 0.776 413 P CB 0.766 32.491 31.700 0.042 0.000 0.876 414 G N 0.959 109.797 108.800 0.064 0.000 2.746 414 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.685 414 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.685 414 G C -1.059 173.877 174.900 0.060 0.000 1.350 414 G CA -0.931 44.205 45.100 0.060 0.000 0.837 414 G HN 0.511 nan 8.290 nan 0.000 0.564 415 L N 0.189 121.441 121.223 0.048 0.000 2.399 415 L HA 0.693 5.033 4.340 -0.000 0.000 0.266 415 L C 0.518 177.373 176.870 -0.026 0.000 1.114 415 L CA -0.711 54.146 54.840 0.029 0.000 0.804 415 L CB 1.224 43.304 42.059 0.036 0.000 1.146 415 L HN 0.638 nan 8.230 nan 0.000 0.451 416 E N 0.535 120.681 120.200 -0.092 0.000 2.221 416 E HA 0.539 4.888 4.350 -0.000 0.000 0.268 416 E C -1.217 175.189 176.600 -0.323 0.000 0.933 416 E CA -0.581 55.659 56.400 -0.266 0.000 0.809 416 E CB 2.401 31.824 29.700 -0.461 0.000 1.190 416 E HN 0.164 nan 8.360 nan 0.000 0.406 417 V N 2.648 122.334 119.914 -0.379 0.000 2.384 417 V HA 0.373 4.492 4.120 -0.000 0.000 0.287 417 V C -1.074 174.782 176.094 -0.397 0.000 1.020 417 V CA -0.793 61.326 62.300 -0.301 0.000 0.850 417 V CB 0.699 32.415 31.823 -0.179 0.000 0.987 417 V HN 0.561 nan 8.190 nan 0.000 0.436 418 F N 5.011 124.687 119.950 -0.456 0.000 2.411 418 F HA 0.649 5.176 4.527 0.000 0.000 0.352 418 F C -0.125 175.530 175.800 -0.241 0.000 1.123 418 F CA -0.085 57.682 58.000 -0.388 0.000 1.044 418 F CB 1.212 40.053 39.000 -0.264 0.000 1.135 418 F HN 0.567 nan 8.300 nan 0.000 0.461 419 Q N 5.255 124.488 119.800 -0.945 0.000 2.413 419 Q HA 0.750 5.090 4.340 -0.000 0.000 0.276 419 Q C -1.617 173.714 176.000 -1.115 0.000 1.099 419 Q CA -1.044 54.229 55.803 -0.882 0.000 0.814 419 Q CB 2.637 31.000 28.738 -0.624 0.000 1.379 419 Q HN 0.676 nan 8.270 nan 0.000 0.436 420 V N -0.920 118.425 119.914 -0.948 0.000 3.019 420 V HA 0.711 4.831 4.120 -0.000 0.000 0.317 420 V C -1.284 174.293 176.094 -0.862 0.000 1.094 420 V CA -0.633 61.218 62.300 -0.749 0.000 1.000 420 V CB 1.837 33.411 31.823 -0.414 0.000 1.060 420 V HN 0.917 nan 8.190 nan 0.000 0.443 421 H N -0.268 118.701 119.070 -0.168 0.000 2.768 421 H HA 0.493 5.049 4.556 -0.000 0.000 0.371 421 H C 0.340 175.631 175.328 -0.061 0.000 1.151 421 H CA -0.220 55.751 56.048 -0.128 0.000 1.165 421 H CB 2.690 32.397 29.762 -0.092 0.000 1.722 421 H HN 0.859 nan 8.280 nan 0.000 0.543 422 E N 0.831 121.098 120.200 0.111 0.000 2.140 422 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 422 E C -0.002 176.670 176.600 0.121 0.000 0.973 422 E CA 0.134 56.617 56.400 0.138 0.000 0.829 422 E CB 0.424 30.287 29.700 0.272 0.000 0.781 422 E HN 0.494 nan 8.360 nan 0.000 0.466 423 D N 1.238 121.708 120.400 0.116 0.000 2.349 423 D HA -0.075 4.565 4.640 -0.000 0.000 0.266 423 D C 0.822 177.142 176.300 0.033 0.000 1.293 423 D CA 0.205 54.248 54.000 0.071 0.000 0.926 423 D CB 0.803 41.634 40.800 0.052 0.000 1.090 423 D HN 0.212 nan 8.370 nan 0.000 0.502 424 K N 2.355 122.771 120.400 0.025 0.000 2.360 424 K HA -0.146 4.174 4.320 -0.000 0.000 0.201 424 K C 0.358 176.954 176.600 -0.006 0.000 1.046 424 K CA 1.104 57.387 56.287 -0.006 0.000 0.945 424 K CB -0.123 32.384 32.500 0.011 0.000 0.750 424 K HN 0.251 nan 8.250 nan 0.000 0.464 425 N N 0.705 119.419 118.700 0.024 0.000 2.279 425 N HA 0.175 4.915 4.740 -0.000 0.000 0.226 425 N C -0.766 174.766 175.510 0.035 0.000 1.126 425 N CA -0.349 52.734 53.050 0.054 0.000 0.846 425 N CB 1.060 39.575 38.487 0.047 0.000 1.050 425 N HN 0.277 nan 8.380 nan 0.000 0.502 426 A N 0.740 123.559 122.820 -0.003 0.000 2.371 426 A HA 0.137 4.457 4.320 -0.000 0.000 0.257 426 A C 1.394 178.964 177.584 -0.024 0.000 1.089 426 A CA -0.382 51.626 52.037 -0.049 0.000 0.794 426 A CB 0.612 19.551 19.000 -0.101 0.000 1.029 426 A HN 0.214 nan 8.150 nan 0.000 0.488 427 K N -0.131 120.195 120.400 -0.124 0.000 2.089 427 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 427 K C -0.754 175.671 176.600 -0.291 0.000 1.048 427 K CA 1.651 57.767 56.287 -0.285 0.000 0.926 427 K CB -0.234 31.929 32.500 -0.562 0.000 0.714 427 K HN 0.687 nan 8.250 nan 0.000 0.448 428 Y N -1.954 118.376 120.300 0.049 0.000 2.457 428 Y HA 0.317 4.867 4.550 -0.000 0.000 0.343 428 Y C 0.864 176.775 175.900 0.018 0.000 0.994 428 Y CA -0.808 57.325 58.100 0.055 0.000 1.031 428 Y CB 1.904 40.391 38.460 0.045 0.000 1.246 428 Y HN -0.048 nan 8.280 nan 0.000 0.449 429 G N 2.029 110.926 108.800 0.161 0.000 2.464 429 G HA2 0.135 4.095 3.960 -0.000 0.000 0.217 429 G HA3 0.135 4.095 3.960 -0.000 0.000 0.217 429 G C -0.027 174.963 174.900 0.150 0.000 1.138 429 G CA 0.275 45.444 45.100 0.114 0.000 0.793 429 G HN 0.480 nan 8.290 nan 0.000 0.539 430 L N -0.424 120.890 121.223 0.151 0.000 2.409 430 L HA 0.763 5.103 4.340 -0.000 0.000 0.272 430 L C -0.648 176.183 176.870 -0.065 0.000 0.980 430 L CA -1.017 53.818 54.840 -0.008 0.000 0.826 430 L CB 2.410 44.532 42.059 0.105 0.000 1.268 430 L HN -0.059 nan 8.230 nan 0.000 0.407 431 S N 1.760 117.344 115.700 -0.193 0.000 2.500 431 S HA 0.757 5.226 4.470 -0.000 0.000 0.301 431 S C -1.069 173.329 174.600 -0.336 0.000 1.092 431 S CA -0.516 57.527 58.200 -0.261 0.000 1.030 431 S CB 1.736 64.941 63.200 0.008 0.000 1.031 431 S HN 0.601 nan 8.310 nan 0.000 0.483 432 F N 4.133 123.636 119.950 -0.745 0.000 2.403 432 F HA 0.574 5.101 4.527 -0.000 0.000 0.355 432 F C 0.129 175.649 175.800 -0.468 0.000 1.119 432 F CA -0.681 56.921 58.000 -0.665 0.000 1.007 432 F CB 1.058 39.183 39.000 -1.459 0.000 1.194 432 F HN 0.889 nan 8.300 nan 0.000 0.443 433 R N 4.072 124.338 120.500 -0.390 0.000 2.892 433 R HA 0.384 4.724 4.340 -0.000 0.000 0.265 433 R C -1.181 174.984 176.300 -0.224 0.000 1.025 433 R CA -0.939 55.027 56.100 -0.223 0.000 0.982 433 R CB 1.395 31.578 30.300 -0.195 0.000 1.185 433 R HN 0.503 nan 8.270 nan 0.000 0.484 434 D N 0.811 121.133 120.400 -0.130 0.000 2.417 434 D HA 0.040 4.680 4.640 -0.000 0.000 0.250 434 D C 0.658 176.869 176.300 -0.147 0.000 1.166 434 D CA 0.360 54.295 54.000 -0.108 0.000 0.881 434 D CB 1.681 42.433 40.800 -0.080 0.000 1.164 434 D HN 0.611 nan 8.370 nan 0.000 0.467 435 A N 4.104 126.874 122.820 -0.084 0.000 1.929 435 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 435 A C 2.044 179.680 177.584 0.087 0.000 1.176 435 A CA 1.543 53.578 52.037 -0.003 0.000 0.628 435 A CB -0.331 18.669 19.000 -0.001 0.000 0.816 435 A HN 0.662 nan 8.150 nan 0.000 0.444 436 A N -0.603 122.239 122.820 0.037 0.000 1.898 436 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 436 A C 2.364 179.986 177.584 0.063 0.000 1.183 436 A CA 2.264 54.353 52.037 0.086 0.000 0.622 436 A CB -0.810 18.219 19.000 0.050 0.000 0.824 436 A HN 0.714 nan 8.150 nan 0.000 0.444 437 T N -5.744 108.733 114.554 -0.129 0.000 3.023 437 T HA 0.410 4.760 4.350 -0.000 0.000 0.249 437 T C 1.498 175.761 174.700 -0.727 0.000 1.050 437 T CA 1.197 63.154 62.100 -0.239 0.000 1.088 437 T CB 0.286 69.072 68.868 -0.136 0.000 0.946 437 T HN 1.692 nan 8.240 nan 0.000 0.480 438 G N 1.617 109.852 108.800 -0.942 0.000 2.176 438 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 438 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 438 G C 0.022 174.642 174.900 -0.466 0.000 0.979 438 G CA 0.293 44.686 45.100 -1.178 0.000 0.641 438 G HN 0.848 nan 8.290 nan 0.000 0.530 439 K N 1.258 121.478 120.400 -0.299 0.000 2.436 439 K HA 0.297 4.617 4.320 -0.000 0.000 0.282 439 K C 0.949 177.489 176.600 -0.101 0.000 1.044 439 K CA -0.579 55.622 56.287 -0.143 0.000 1.028 439 K CB 0.042 32.490 32.500 -0.087 0.000 0.919 439 K HN 0.110 nan 8.250 nan 0.000 0.474 440 I N 7.478 128.012 120.570 -0.060 0.000 2.578 440 I HA -0.110 4.060 4.170 -0.000 0.000 0.286 440 I C 1.324 177.427 176.117 -0.024 0.000 1.126 440 I CA 0.524 61.787 61.300 -0.062 0.000 1.380 440 I CB -0.029 37.963 38.000 -0.013 0.000 1.408 440 I HN 0.798 nan 8.210 nan 0.000 0.532 441 L N 6.779 128.001 121.223 -0.002 0.000 2.109 441 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 441 L C 0.492 177.467 176.870 0.175 0.000 1.086 441 L CA 0.992 55.902 54.840 0.117 0.000 0.760 441 L CB -0.084 42.136 42.059 0.268 0.000 0.910 441 L HN 0.690 nan 8.230 nan 0.000 0.437 442 W N -1.609 119.658 121.300 -0.055 0.000 3.161 442 W HA 0.600 5.260 4.660 -0.000 0.000 0.314 442 W C -0.883 175.416 176.519 -0.366 0.000 1.245 442 W CA -0.953 56.268 57.345 -0.207 0.000 1.191 442 W CB 0.442 29.776 29.460 -0.211 0.000 1.392 442 W HN -0.169 nan 8.180 nan 0.000 0.568 443 G N 0.272 108.788 108.800 -0.474 0.000 2.704 443 G HA2 0.636 4.596 3.960 -0.000 0.000 0.293 443 G HA3 0.636 4.596 3.960 -0.000 0.000 0.293 443 G C -2.385 172.316 174.900 -0.332 0.000 1.421 443 G CA -0.813 43.723 45.100 -0.940 0.000 0.870 443 G HN 0.548 nan 8.290 nan 0.000 0.492 444 V N 1.123 121.068 119.914 0.050 0.000 2.444 444 V HA 0.325 4.445 4.120 -0.000 0.000 0.294 444 V C -0.569 175.798 176.094 0.455 0.000 1.022 444 V CA -0.914 61.570 62.300 0.307 0.000 0.850 444 V CB 1.263 33.222 31.823 0.226 0.000 0.992 444 V HN 0.772 nan 8.190 nan 0.000 0.426 445 Y N 4.241 124.775 120.300 0.391 0.000 2.610 445 Y HA 0.341 4.891 4.550 -0.000 0.000 0.332 445 Y C 0.947 176.960 175.900 0.189 0.000 1.201 445 Y CA 0.895 59.135 58.100 0.233 0.000 1.465 445 Y CB 1.206 39.747 38.460 0.134 0.000 1.283 445 Y HN 0.723 nan 8.280 nan 0.000 0.563 446 A N 3.699 126.213 122.820 -0.510 0.000 2.026 446 A HA 0.379 4.699 4.320 -0.000 0.000 0.201 446 A C 1.826 179.041 177.584 -0.614 0.000 1.318 446 A CA 0.584 52.417 52.037 -0.340 0.000 0.857 446 A CB -0.735 18.191 19.000 -0.123 0.000 0.939 446 A HN 1.697 nan 8.150 nan 0.000 0.476 447 G N -0.070 108.043 108.800 -1.145 0.000 2.212 447 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.266 447 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.266 447 G C 0.305 175.098 174.900 -0.178 0.000 0.978 447 G CA 1.136 45.870 45.100 -0.610 0.000 0.632 447 G HN 0.959 nan 8.290 nan 0.000 0.537 448 K N -0.400 119.910 120.400 -0.150 0.000 2.349 448 K HA 0.636 4.956 4.320 -0.000 0.000 0.243 448 K C -1.176 175.407 176.600 -0.028 0.000 1.058 448 K CA -0.763 55.496 56.287 -0.045 0.000 0.871 448 K CB 1.132 33.627 32.500 -0.009 0.000 1.337 448 K HN -0.024 nan 8.250 nan 0.000 0.469 449 D N 1.286 121.694 120.400 0.013 0.000 2.352 449 D HA 0.096 4.736 4.640 -0.000 0.000 0.245 449 D C -0.837 175.482 176.300 0.032 0.000 1.224 449 D CA -0.371 53.651 54.000 0.036 0.000 0.879 449 D CB 0.603 41.440 40.800 0.062 0.000 1.057 449 D HN 0.325 nan 8.370 nan 0.000 0.491 450 V N 4.832 124.758 119.914 0.021 0.000 2.372 450 V HA 0.363 4.483 4.120 -0.000 0.000 0.261 450 V C 1.606 177.696 176.094 -0.006 0.000 1.055 450 V CA 0.000 62.309 62.300 0.014 0.000 0.930 450 V CB 0.894 32.723 31.823 0.009 0.000 1.031 450 V HN 0.757 nan 8.190 nan 0.000 0.479 451 G N 5.183 113.993 108.800 0.017 0.000 2.683 451 G HA2 0.069 4.029 3.960 -0.000 0.000 0.213 451 G HA3 0.069 4.029 3.960 -0.000 0.000 0.213 451 G C 0.691 175.590 174.900 -0.002 0.000 1.142 451 G CA -0.083 45.029 45.100 0.021 0.000 0.793 451 G HN 0.458 nan 8.290 nan 0.000 0.534 452 R N -0.355 120.144 120.500 -0.001 0.000 2.574 452 R HA 0.609 4.949 4.340 -0.000 0.000 0.288 452 R C -0.831 175.461 176.300 -0.013 0.000 1.004 452 R CA -0.506 55.596 56.100 0.003 0.000 0.895 452 R CB 1.700 32.026 30.300 0.042 0.000 1.191 452 R HN 0.123 nan 8.270 nan 0.000 0.444 453 G N 1.962 110.743 108.800 -0.033 0.000 2.701 453 G HA2 0.642 4.602 3.960 -0.000 0.000 0.300 453 G HA3 0.642 4.602 3.960 -0.000 0.000 0.300 453 G C -1.015 173.854 174.900 -0.050 0.000 1.410 453 G CA -0.340 44.752 45.100 -0.014 0.000 1.014 453 G HN 0.191 nan 8.290 nan 0.000 0.509 454 M N 0.691 120.005 119.600 -0.478 0.000 2.572 454 M HA 0.785 5.265 4.480 -0.000 0.000 0.299 454 M C -0.731 174.841 176.300 -1.214 0.000 1.205 454 M CA -0.906 53.720 55.300 -1.124 0.000 0.876 454 M CB 2.204 33.817 32.600 -1.646 0.000 1.728 454 M HN 0.821 nan 8.290 nan 0.000 0.458 455 A N 2.066 124.235 122.820 -1.084 0.000 2.398 455 A HA 0.982 5.302 4.320 -0.000 0.000 0.301 455 A C -1.331 176.160 177.584 -0.154 0.000 1.041 455 A CA -0.284 51.445 52.037 -0.513 0.000 0.711 455 A CB 1.411 20.219 19.000 -0.321 0.000 1.240 455 A HN 1.144 nan 8.150 nan 0.000 0.420 456 A N 1.745 124.623 122.820 0.097 0.000 2.583 456 A HA 0.556 4.876 4.320 -0.000 0.000 0.298 456 A C -1.539 176.226 177.584 0.302 0.000 1.055 456 A CA -0.546 51.621 52.037 0.216 0.000 0.714 456 A CB 0.847 19.957 19.000 0.183 0.000 1.277 456 A HN 0.862 nan 8.150 nan 0.000 0.406 457 D N 2.187 122.793 120.400 0.342 0.000 2.367 457 D HA 0.248 4.888 4.640 -0.000 0.000 0.255 457 D C 1.098 177.565 176.300 0.278 0.000 1.300 457 D CA 0.417 54.628 54.000 0.351 0.000 0.959 457 D CB 0.050 41.123 40.800 0.456 0.000 1.064 457 D HN 0.578 nan 8.370 nan 0.000 0.509 458 I N -0.242 120.461 120.570 0.221 0.000 4.070 458 I HA 0.359 4.529 4.170 -0.000 0.000 0.328 458 I C -0.104 176.179 176.117 0.276 0.000 1.298 458 I CA -0.208 61.232 61.300 0.233 0.000 1.173 458 I CB 0.626 38.658 38.000 0.053 0.000 1.051 458 I HN 0.034 nan 8.210 nan 0.000 0.409 459 D N 2.862 123.349 120.400 0.144 0.000 2.686 459 D HA 0.330 4.970 4.640 -0.000 0.000 0.249 459 D C -2.261 173.997 176.300 -0.070 0.000 1.260 459 D CA -1.932 52.063 54.000 -0.008 0.000 0.910 459 D CB 2.692 43.622 40.800 0.216 0.000 1.323 459 D HN -0.069 nan 8.370 nan 0.000 0.561 460 P HA 0.131 nan 4.420 nan 0.000 0.249 460 P C 0.869 178.105 177.300 -0.106 0.000 1.229 460 P CA 0.133 63.145 63.100 -0.146 0.000 0.788 460 P CB 0.538 32.128 31.700 -0.183 0.000 1.072 461 R N -1.288 119.137 120.500 -0.126 0.000 2.236 461 R HA 0.054 4.394 4.340 -0.000 0.000 0.208 461 R C 0.178 176.272 176.300 -0.344 0.000 1.036 461 R CA 0.721 56.713 56.100 -0.180 0.000 1.001 461 R CB -0.262 29.943 30.300 -0.159 0.000 0.896 461 R HN 0.278 nan 8.270 nan 0.000 0.464 462 Y N 0.586 120.865 120.300 -0.035 0.000 2.328 462 Y HA 0.335 4.885 4.550 -0.000 0.000 0.336 462 Y C -2.221 173.662 175.900 -0.028 0.000 0.960 462 Y CA -3.410 54.670 58.100 -0.032 0.000 1.134 462 Y CB 1.349 39.789 38.460 -0.033 0.000 1.166 462 Y HN -0.158 nan 8.280 nan 0.000 0.464 463 P HA 0.239 nan 4.420 nan 0.000 0.271 463 P C 0.414 177.668 177.300 -0.076 0.000 1.216 463 P CA 0.573 63.665 63.100 -0.014 0.000 0.776 463 P CB 0.887 32.550 31.700 -0.061 0.000 0.881 464 G N 2.153 110.814 108.800 -0.233 0.000 2.760 464 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.246 464 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.246 464 G C -1.123 173.857 174.900 0.133 0.000 1.359 464 G CA -0.842 44.023 45.100 -0.392 0.000 0.861 464 G HN 0.551 nan 8.290 nan 0.000 0.541 465 Q N 0.701 120.652 119.800 0.252 0.000 2.295 465 Q HA 0.432 4.772 4.340 -0.000 0.000 0.259 465 Q C -0.014 176.099 176.000 0.189 0.000 0.976 465 Q CA -0.332 55.663 55.803 0.319 0.000 0.923 465 Q CB 0.907 29.851 28.738 0.344 0.000 1.185 465 Q HN 0.516 nan 8.270 nan 0.000 0.410 466 E N 1.073 121.371 120.200 0.164 0.000 2.404 466 E HA 0.169 4.519 4.350 -0.000 0.000 0.261 466 E C -0.287 176.390 176.600 0.129 0.000 1.074 466 E CA -0.194 56.264 56.400 0.098 0.000 0.917 466 E CB 0.703 30.422 29.700 0.032 0.000 0.965 466 E HN 0.420 nan 8.360 nan 0.000 0.433 467 V N -0.981 118.956 119.914 0.039 0.000 3.046 467 V HA 0.907 5.027 4.120 -0.000 0.000 0.316 467 V C -1.272 174.908 176.094 0.145 0.000 1.104 467 V CA -1.078 61.062 62.300 -0.268 0.000 1.006 467 V CB 1.315 32.428 31.823 -1.184 0.000 1.058 467 V HN 0.859 nan 8.190 nan 0.000 0.440 468 W N 1.008 122.229 121.300 -0.132 0.000 3.479 468 W HA 0.959 5.619 4.660 0.000 0.000 0.304 468 W C -1.017 175.659 176.519 0.262 0.000 1.243 468 W CA -0.423 56.960 57.345 0.065 0.000 1.202 468 W CB 0.896 30.276 29.460 -0.133 0.000 1.346 468 W HN 1.215 nan 8.180 nan 0.000 0.539 469 A N 2.967 126.069 122.820 0.469 0.000 2.599 469 A HA 0.575 4.895 4.320 -0.000 0.000 0.294 469 A C -0.142 177.632 177.584 0.316 0.000 1.055 469 A CA -0.473 51.767 52.037 0.339 0.000 0.683 469 A CB 1.246 20.450 19.000 0.340 0.000 1.278 469 A HN 1.627 nan 8.150 nan 0.000 0.412 470 N N -0.195 118.633 118.700 0.213 0.000 2.727 470 N HA -0.073 4.667 4.740 -0.000 0.000 0.249 470 N C 1.136 176.746 175.510 0.166 0.000 1.048 470 N CA 2.937 56.090 53.050 0.172 0.000 0.714 470 N CB -1.008 37.579 38.487 0.167 0.000 0.959 470 N HN 2.652 nan 8.380 nan 0.000 0.544 471 G N -2.717 106.175 108.800 0.154 0.000 2.179 471 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 471 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 471 G C 0.050 174.968 174.900 0.031 0.000 0.977 471 G CA 0.533 45.690 45.100 0.094 0.000 0.641 471 G HN 0.807 nan 8.290 nan 0.000 0.533 472 S N -0.552 115.159 115.700 0.018 0.000 2.513 472 S HA 0.723 5.193 4.470 -0.000 0.000 0.299 472 S C -0.555 173.810 174.600 -0.392 0.000 1.087 472 S CA -0.586 57.462 58.200 -0.253 0.000 1.012 472 S CB 2.204 65.155 63.200 -0.416 0.000 1.044 472 S HN 0.933 nan 8.310 nan 0.000 0.485 473 L N 3.641 124.553 121.223 -0.519 0.000 2.295 473 L HA 0.638 4.978 4.340 -0.000 0.000 0.285 473 L C -1.864 174.614 176.870 -0.653 0.000 1.035 473 L CA -0.064 54.503 54.840 -0.454 0.000 0.806 473 L CB 0.283 42.040 42.059 -0.503 0.000 1.214 473 L HN 0.610 nan 8.230 nan 0.000 0.426 474 Y N 2.333 122.546 120.300 -0.144 0.000 2.462 474 Y HA 0.557 5.107 4.550 0.000 0.000 0.346 474 Y C 0.571 176.270 175.900 -0.335 0.000 0.976 474 Y CA -0.616 57.306 58.100 -0.297 0.000 1.044 474 Y CB 1.929 40.192 38.460 -0.328 0.000 1.230 474 Y HN 0.736 nan 8.280 nan 0.000 0.455 475 S N 0.676 116.196 115.700 -0.301 0.000 2.617 475 S HA 0.374 4.844 4.470 -0.000 0.000 0.259 475 S C 1.310 175.754 174.600 -0.261 0.000 1.301 475 S CA -0.191 57.848 58.200 -0.268 0.000 0.984 475 S CB 1.035 64.091 63.200 -0.241 0.000 0.954 475 S HN 0.897 nan 8.310 nan 0.000 0.572 476 A N 0.599 123.310 122.820 -0.182 0.000 2.070 476 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 476 A C 1.805 179.109 177.584 -0.467 0.000 1.159 476 A CA 0.933 52.794 52.037 -0.294 0.000 0.656 476 A CB -0.493 18.454 19.000 -0.088 0.000 0.800 476 A HN 0.679 nan 8.150 nan 0.000 0.453 477 K N -1.132 119.028 120.400 -0.400 0.000 2.444 477 K HA 0.178 4.498 4.320 -0.000 0.000 0.193 477 K C 1.148 177.196 176.600 -0.919 0.000 1.024 477 K CA 0.679 56.704 56.287 -0.436 0.000 1.077 477 K CB -0.230 32.135 32.500 -0.225 0.000 0.833 477 K HN 0.753 nan 8.250 nan 0.000 0.517 478 G N 0.930 108.806 108.800 -1.540 0.000 2.176 478 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.253 478 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.253 478 G C 0.144 174.479 174.900 -0.941 0.000 0.979 478 G CA 0.132 43.841 45.100 -2.318 0.000 0.641 478 G HN 0.139 nan 8.290 nan 0.000 0.530 479 V N 1.503 121.099 119.914 -0.530 0.000 2.439 479 V HA 0.263 4.383 4.120 -0.000 0.000 0.271 479 V C 1.143 177.126 176.094 -0.185 0.000 1.040 479 V CA 0.184 62.335 62.300 -0.249 0.000 1.002 479 V CB 1.249 32.991 31.823 -0.135 0.000 1.000 479 V HN 0.456 nan 8.190 nan 0.000 0.477 480 K N 5.862 126.218 120.400 -0.074 0.000 2.430 480 K HA 0.149 4.469 4.320 -0.000 0.000 0.280 480 K C -0.397 176.066 176.600 -0.228 0.000 1.063 480 K CA 0.086 56.255 56.287 -0.197 0.000 1.071 480 K CB 0.064 32.501 32.500 -0.106 0.000 0.899 480 K HN 0.608 nan 8.250 nan 0.000 0.473 481 I N 5.870 126.241 120.570 -0.332 0.000 2.301 481 I HA 0.184 4.354 4.170 -0.000 0.000 0.292 481 I C 1.161 177.205 176.117 -0.121 0.000 1.046 481 I CA 0.034 61.170 61.300 -0.274 0.000 1.282 481 I CB 0.644 38.373 38.000 -0.452 0.000 1.409 481 I HN 1.030 nan 8.210 nan 0.000 0.484 482 G N 5.655 114.437 108.800 -0.031 0.000 2.574 482 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.295 482 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.295 482 G C -0.019 174.869 174.900 -0.021 0.000 1.300 482 G CA 0.186 45.290 45.100 0.007 0.000 0.944 482 G HN 0.805 nan 8.290 nan 0.000 0.551 483 S N -0.791 114.914 115.700 0.009 0.000 2.704 483 S HA 0.886 5.356 4.470 -0.000 0.000 0.305 483 S C 0.447 175.073 174.600 0.042 0.000 1.107 483 S CA 0.504 58.705 58.200 0.002 0.000 0.993 483 S CB 1.654 64.860 63.200 0.010 0.000 1.110 483 S HN 2.899 nan 8.310 nan 0.000 0.534 484 G N -0.497 108.320 108.800 0.029 0.000 2.767 484 G HA2 0.182 4.142 3.960 -0.000 0.000 0.686 484 G HA3 0.182 4.142 3.960 -0.000 0.000 0.686 484 G C -0.591 174.320 174.900 0.017 0.000 1.213 484 G CA -0.548 44.601 45.100 0.082 0.000 0.803 484 G HN 1.918 nan 8.290 nan 0.000 0.603 485 V N -0.049 119.817 119.914 -0.080 0.000 3.019 485 V HA 0.939 5.059 4.120 -0.000 0.000 0.317 485 V C -2.053 173.781 176.094 -0.433 0.000 1.094 485 V CA -2.594 59.431 62.300 -0.458 0.000 1.000 485 V CB 1.848 33.497 31.823 -0.289 0.000 1.060 485 V HN 0.733 nan 8.190 nan 0.000 0.443 486 P HA 0.095 nan 4.420 nan 0.000 0.266 486 P C 0.904 178.150 177.300 -0.089 0.000 1.193 486 P CA 0.485 63.330 63.100 -0.426 0.000 0.770 486 P CB 0.511 31.696 31.700 -0.859 0.000 0.836 487 S N -0.111 115.632 115.700 0.072 0.000 2.547 487 S HA 0.003 4.473 4.470 -0.000 0.000 0.235 487 S C 0.606 175.275 174.600 0.114 0.000 0.980 487 S CA 0.344 58.596 58.200 0.088 0.000 0.941 487 S CB -0.750 62.497 63.200 0.079 0.000 0.763 487 S HN 0.548 nan 8.310 nan 0.000 0.532 488 S N -0.176 115.626 115.700 0.170 0.000 2.570 488 S HA 0.705 5.175 4.470 -0.000 0.000 0.286 488 S C -0.821 174.025 174.600 0.410 0.000 1.099 488 S CA -0.724 57.612 58.200 0.226 0.000 0.913 488 S CB 1.984 65.295 63.200 0.185 0.000 1.085 488 S HN 0.093 nan 8.310 nan 0.000 0.480 489 T N 2.324 117.060 114.554 0.303 0.000 3.296 489 T HA 0.473 4.823 4.350 -0.000 0.000 0.333 489 T C -0.147 174.634 174.700 0.134 0.000 1.280 489 T CA -0.588 61.653 62.100 0.236 0.000 1.558 489 T CB 0.118 69.093 68.868 0.178 0.000 0.929 489 T HN 0.654 nan 8.240 nan 0.000 0.596 490 N N 0.914 119.719 118.700 0.176 0.000 3.174 490 N HA 0.354 5.094 4.740 -0.000 0.000 0.286 490 N C -1.269 174.494 175.510 0.421 0.000 1.151 490 N CA -0.032 53.179 53.050 0.269 0.000 1.386 490 N CB 0.422 39.049 38.487 0.234 0.000 0.951 490 N HN 0.253 nan 8.380 nan 0.000 1.170 491 F N 0.777 120.748 119.950 0.035 0.000 2.538 491 F HA 0.730 5.257 4.527 -0.000 0.000 0.325 491 F C 0.930 176.719 175.800 -0.019 0.000 1.066 491 F CA -0.856 57.142 58.000 -0.004 0.000 0.946 491 F CB 1.781 40.755 39.000 -0.043 0.000 1.199 491 F HN 0.187 nan 8.300 nan 0.000 0.473 492 G N 2.236 111.023 108.800 -0.022 0.000 2.388 492 G HA2 0.643 4.603 3.960 -0.000 0.000 0.330 492 G HA3 0.643 4.603 3.960 -0.000 0.000 0.330 492 G C -1.746 173.025 174.900 -0.215 0.000 1.142 492 G CA -0.566 44.466 45.100 -0.113 0.000 0.908 492 G HN 0.666 nan 8.290 nan 0.000 0.473 493 I N 1.056 121.520 120.570 -0.176 0.000 2.534 493 I HA 0.402 4.572 4.170 -0.000 0.000 0.288 493 I C -0.895 175.172 176.117 -0.083 0.000 1.077 493 I CA -1.342 59.897 61.300 -0.102 0.000 1.051 493 I CB 1.495 39.530 38.000 0.059 0.000 1.234 493 I HN 0.462 nan 8.210 nan 0.000 0.425 494 W N 8.255 129.692 121.300 0.228 0.000 2.546 494 W HA 0.012 4.672 4.660 -0.000 0.000 0.323 494 W C 0.374 176.988 176.519 0.158 0.000 1.272 494 W CA -0.187 57.281 57.345 0.206 0.000 1.404 494 W CB 0.457 30.073 29.460 0.259 0.000 1.411 494 W HN 0.741 nan 8.180 nan 0.000 0.480 495 W N 3.288 124.659 121.300 0.118 0.000 3.412 495 W HA -0.099 4.561 4.660 -0.000 0.000 0.236 495 W C 0.424 176.919 176.519 -0.039 0.000 1.030 495 W CA 0.595 57.949 57.345 0.015 0.000 1.850 495 W CB 0.228 29.711 29.460 0.038 0.000 0.979 495 W HN 0.208 nan 8.180 nan 0.000 0.716 496 D N -0.526 119.916 120.400 0.070 0.000 2.469 496 D HA 0.256 4.896 4.640 -0.000 0.000 0.278 496 D C 1.468 177.746 176.300 -0.036 0.000 1.231 496 D CA 0.381 54.342 54.000 -0.064 0.000 1.075 496 D CB -0.312 40.548 40.800 0.100 0.000 1.121 496 D HN 0.007 nan 8.370 nan 0.000 0.571 497 G N -1.402 107.422 108.800 0.040 0.000 2.494 497 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.216 497 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.216 497 G C 0.384 175.492 174.900 0.347 0.000 1.140 497 G CA 0.780 45.962 45.100 0.137 0.000 0.801 497 G HN 0.750 nan 8.290 nan 0.000 0.536 498 D N -0.129 120.456 120.400 0.308 0.000 2.414 498 D HA 0.178 4.818 4.640 -0.000 0.000 0.251 498 D C 1.263 177.782 176.300 0.364 0.000 1.252 498 D CA -0.613 53.592 54.000 0.341 0.000 0.999 498 D CB 0.559 41.520 40.800 0.267 0.000 1.093 498 D HN 0.067 nan 8.370 nan 0.000 0.515 499 L N -1.199 120.142 121.223 0.197 0.000 2.585 499 L HA 0.188 4.528 4.340 -0.000 0.000 0.226 499 L C 0.621 177.659 176.870 0.280 0.000 1.113 499 L CA -0.274 54.629 54.840 0.106 0.000 0.876 499 L CB -0.329 41.599 42.059 -0.218 0.000 1.072 499 L HN 0.179 nan 8.230 nan 0.000 0.468 500 L N 0.719 122.126 121.223 0.307 0.000 2.483 500 L HA 0.046 4.386 4.340 -0.000 0.000 0.276 500 L C 0.692 177.829 176.870 0.445 0.000 1.213 500 L CA 0.227 55.270 54.840 0.340 0.000 0.843 500 L CB 0.172 42.403 42.059 0.287 0.000 1.107 500 L HN 0.188 nan 8.230 nan 0.000 0.487 501 R N 1.261 121.968 120.500 0.345 0.000 2.428 501 R HA 0.303 4.643 4.340 -0.000 0.000 0.294 501 R C -0.673 175.715 176.300 0.147 0.000 1.000 501 R CA -0.599 55.564 56.100 0.105 0.000 0.960 501 R CB 1.133 31.269 30.300 -0.274 0.000 1.076 501 R HN 0.521 nan 8.270 nan 0.000 0.475 502 E N 1.368 121.642 120.200 0.123 0.000 2.254 502 E HA 0.218 4.568 4.350 -0.000 0.000 0.261 502 E C -1.055 175.619 176.600 0.124 0.000 1.051 502 E CA -0.552 55.948 56.400 0.168 0.000 0.902 502 E CB 1.128 30.957 29.700 0.216 0.000 1.168 502 E HN 0.327 nan 8.360 nan 0.000 0.423 503 Q N 0.493 120.382 119.800 0.148 0.000 2.245 503 Q HA 0.589 4.929 4.340 -0.000 0.000 0.256 503 Q C -1.122 174.945 176.000 0.112 0.000 0.942 503 Q CA -0.402 55.504 55.803 0.173 0.000 0.896 503 Q CB 1.559 30.434 28.738 0.228 0.000 1.272 503 Q HN 0.420 nan 8.270 nan 0.000 0.442 504 L N 1.656 122.959 121.223 0.133 0.000 2.362 504 L HA 0.709 5.049 4.340 -0.000 0.000 0.275 504 L C -1.595 175.339 176.870 0.107 0.000 0.998 504 L CA -0.379 54.514 54.840 0.088 0.000 0.820 504 L CB 1.682 43.771 42.059 0.049 0.000 1.270 504 L HN 0.526 nan 8.230 nan 0.000 0.415 505 D N 2.487 122.925 120.400 0.064 0.000 2.966 505 D HA 0.413 5.053 4.640 -0.000 0.000 0.222 505 D C 0.096 176.402 176.300 0.010 0.000 1.292 505 D CA 0.876 54.901 54.000 0.041 0.000 0.907 505 D CB 1.897 42.736 40.800 0.065 0.000 1.621 505 D HN 0.823 nan 8.370 nan 0.000 0.557 506 S N 3.964 119.660 115.700 -0.008 0.000 4.108 506 S HA -0.378 4.092 4.470 -0.000 0.000 0.550 506 S C 0.879 175.469 174.600 -0.017 0.000 1.916 506 S CA 1.522 59.707 58.200 -0.025 0.000 4.207 506 S CB -1.289 61.858 63.200 -0.088 0.000 0.522 506 S HN 0.800 nan 8.310 nan 0.000 0.534 507 N N 2.594 121.094 118.700 -0.332 0.000 2.322 507 N HA 0.205 4.945 4.740 -0.000 0.000 0.216 507 N C 0.129 175.249 175.510 -0.651 0.000 1.144 507 N CA -0.130 52.381 53.050 -0.898 0.000 0.830 507 N CB -0.509 37.426 38.487 -0.920 0.000 1.034 507 N HN 0.689 nan 8.380 nan 0.000 0.484 508 R N 0.085 120.448 120.500 -0.229 0.000 2.711 508 R HA 0.559 4.899 4.340 -0.000 0.000 0.284 508 R C -0.627 175.630 176.300 -0.070 0.000 0.968 508 R CA -0.706 55.296 56.100 -0.162 0.000 0.924 508 R CB 1.999 32.233 30.300 -0.110 0.000 1.162 508 R HN 0.061 nan 8.270 nan 0.000 0.465 509 I N 2.354 122.834 120.570 -0.149 0.000 2.389 509 I HA 0.244 4.414 4.170 -0.000 0.000 0.288 509 I C -0.588 175.482 176.117 -0.078 0.000 0.999 509 I CA -0.562 60.636 61.300 -0.170 0.000 1.129 509 I CB 1.631 39.341 38.000 -0.483 0.000 1.288 509 I HN 0.380 nan 8.210 nan 0.000 0.444 510 D N 5.356 125.761 120.400 0.007 0.000 2.326 510 D HA 0.444 5.084 4.640 -0.000 0.000 0.248 510 D C -0.529 175.839 176.300 0.113 0.000 1.001 510 D CA -0.664 53.370 54.000 0.058 0.000 0.961 510 D CB 2.184 43.030 40.800 0.077 0.000 1.183 510 D HN 0.190 nan 8.370 nan 0.000 0.502 511 K N 0.293 120.771 120.400 0.130 0.000 2.397 511 K HA 0.237 4.557 4.320 -0.000 0.000 0.253 511 K C -1.476 175.242 176.600 0.196 0.000 0.932 511 K CA -0.848 55.544 56.287 0.176 0.000 0.795 511 K CB 1.494 34.085 32.500 0.152 0.000 1.159 511 K HN 0.443 nan 8.250 nan 0.000 0.424 512 W N 6.064 127.384 121.300 0.034 0.000 2.331 512 W HA 0.246 4.906 4.660 0.000 0.000 0.306 512 W C -0.838 175.715 176.519 0.058 0.000 1.162 512 W CA -0.414 56.927 57.345 -0.007 0.000 1.232 512 W CB 1.035 30.445 29.460 -0.082 0.000 1.235 512 W HN 0.684 nan 8.180 nan 0.000 0.479 513 D N 6.150 126.206 120.400 -0.573 0.000 2.365 513 D HA -0.015 4.625 4.640 -0.000 0.000 0.237 513 D C 0.750 176.471 176.300 -0.965 0.000 1.190 513 D CA -0.272 53.370 54.000 -0.596 0.000 0.867 513 D CB 0.236 40.755 40.800 -0.468 0.000 1.050 513 D HN 0.431 nan 8.370 nan 0.000 0.491 514 Y N 2.154 122.153 120.300 -0.502 0.000 2.395 514 Y HA -0.006 4.544 4.550 0.000 0.000 0.293 514 Y C 1.847 177.669 175.900 -0.131 0.000 1.123 514 Y CA 0.383 58.339 58.100 -0.239 0.000 1.227 514 Y CB -0.485 38.087 38.460 0.186 0.000 1.012 514 Y HN 0.264 nan 8.280 nan 0.000 0.552 515 Q N 1.289 120.726 119.800 -0.604 0.000 2.096 515 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 515 Q C 0.788 176.650 176.000 -0.231 0.000 0.982 515 Q CA 1.979 57.584 55.803 -0.331 0.000 0.850 515 Q CB -0.509 27.986 28.738 -0.405 0.000 0.901 515 Q HN 0.717 nan 8.270 nan 0.000 0.422 516 N N -1.176 117.323 118.700 -0.334 0.000 2.187 516 N HA 0.212 4.952 4.740 -0.000 0.000 0.212 516 N C 0.090 175.408 175.510 -0.319 0.000 1.152 516 N CA 0.399 53.288 53.050 -0.268 0.000 0.872 516 N CB 1.290 39.628 38.487 -0.247 0.000 1.025 516 N HN 0.283 nan 8.380 nan 0.000 0.514 517 G N 1.162 109.678 108.800 -0.472 0.000 2.350 517 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.298 517 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.298 517 G C -0.531 173.917 174.900 -0.754 0.000 1.037 517 G CA 0.535 45.307 45.100 -0.547 0.000 1.074 517 G HN 0.309 nan 8.290 nan 0.000 0.511 518 V N -0.573 118.650 119.914 -1.151 0.000 2.932 518 V HA 0.737 4.857 4.120 -0.000 0.000 0.307 518 V C 0.215 176.022 176.094 -0.478 0.000 1.147 518 V CA -0.205 61.744 62.300 -0.586 0.000 0.951 518 V CB 2.287 33.934 31.823 -0.294 0.000 1.031 518 V HN 0.543 nan 8.190 nan 0.000 0.426 519 S N 5.788 121.460 115.700 -0.046 0.000 2.499 519 S HA 0.513 4.983 4.470 -0.000 0.000 0.275 519 S C -0.482 174.121 174.600 0.006 0.000 1.257 519 S CA -0.446 57.810 58.200 0.094 0.000 1.050 519 S CB 0.289 63.609 63.200 0.201 0.000 0.937 519 S HN 0.534 nan 8.310 nan 0.000 0.490 520 K N 3.150 123.552 120.400 0.003 0.000 2.274 520 K HA 0.296 4.616 4.320 -0.000 0.000 0.262 520 K C -0.237 176.377 176.600 0.024 0.000 0.961 520 K CA -0.709 55.575 56.287 -0.005 0.000 0.833 520 K CB 1.306 33.788 32.500 -0.029 0.000 1.102 520 K HN 0.611 nan 8.250 nan 0.000 0.436 521 N N 2.089 120.796 118.700 0.012 0.000 2.492 521 N HA 0.046 4.786 4.740 -0.000 0.000 0.260 521 N C 0.687 176.209 175.510 0.020 0.000 1.215 521 N CA 0.327 53.381 53.050 0.007 0.000 0.923 521 N CB 0.618 39.097 38.487 -0.014 0.000 1.092 521 N HN 0.627 nan 8.380 nan 0.000 0.448 522 M N 2.403 122.015 119.600 0.019 0.000 2.532 522 M HA 0.383 4.863 4.480 -0.000 0.000 0.244 522 M C -1.121 175.210 176.300 0.051 0.000 1.390 522 M CA 0.002 55.342 55.300 0.066 0.000 1.132 522 M CB 0.566 33.238 32.600 0.119 0.000 1.466 522 M HN 0.512 nan 8.290 nan 0.000 0.550 523 L N 0.431 121.621 121.223 -0.054 0.000 2.464 523 L HA 0.529 4.869 4.340 -0.000 0.000 0.266 523 L C -1.453 175.327 176.870 -0.151 0.000 0.965 523 L CA 0.009 54.798 54.840 -0.086 0.000 0.833 523 L CB 2.541 44.473 42.059 -0.212 0.000 1.296 523 L HN -0.095 nan 8.230 nan 0.000 0.405 524 T N 4.127 118.600 114.554 -0.136 0.000 2.809 524 T HA 0.598 4.948 4.350 -0.000 0.000 0.296 524 T C -0.164 174.377 174.700 -0.266 0.000 1.015 524 T CA -0.251 61.723 62.100 -0.210 0.000 0.954 524 T CB 1.271 70.056 68.868 -0.139 0.000 0.950 524 T HN 0.688 nan 8.240 nan 0.000 0.450 525 A N 3.609 126.117 122.820 -0.520 0.000 2.671 525 A HA 0.495 4.815 4.320 -0.000 0.000 0.306 525 A C 0.817 178.162 177.584 -0.399 0.000 1.473 525 A CA -0.433 51.260 52.037 -0.575 0.000 1.155 525 A CB -0.263 17.930 19.000 -1.345 0.000 1.123 525 A HN 0.690 nan 8.150 nan 0.000 0.545 526 S N 1.189 116.786 115.700 -0.172 0.000 2.546 526 S HA 0.363 4.833 4.470 -0.000 0.000 0.290 526 S C 1.557 176.078 174.600 -0.132 0.000 1.290 526 S CA 1.136 59.261 58.200 -0.125 0.000 1.069 526 S CB 0.362 63.541 63.200 -0.036 0.000 0.846 526 S HN 2.008 nan 8.310 nan 0.000 0.495 527 G N 1.943 110.654 108.800 -0.148 0.000 2.168 527 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.263 527 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.263 527 G C 0.135 174.930 174.900 -0.176 0.000 0.977 527 G CA 0.088 45.111 45.100 -0.128 0.000 0.659 527 G HN 1.183 nan 8.290 nan 0.000 0.533 528 A N -0.362 122.285 122.820 -0.288 0.000 2.306 528 A HA 0.972 5.292 4.320 -0.000 0.000 0.314 528 A C 0.379 177.713 177.584 -0.418 0.000 1.164 528 A CA 0.650 52.464 52.037 -0.372 0.000 0.822 528 A CB 1.391 19.991 19.000 -0.667 0.000 1.130 528 A HN 2.046 nan 8.150 nan 0.000 0.496 529 A N 1.319 123.980 122.820 -0.266 0.000 2.356 529 A HA 0.767 5.087 4.320 -0.000 0.000 0.310 529 A C 0.323 177.866 177.584 -0.068 0.000 1.075 529 A CA 0.025 51.948 52.037 -0.191 0.000 0.746 529 A CB 0.867 19.811 19.000 -0.093 0.000 1.221 529 A HN 2.094 nan 8.150 nan 0.000 0.443 530 A N 2.370 125.151 122.820 -0.066 0.000 2.310 530 A HA 0.610 4.929 4.320 -0.000 0.000 0.260 530 A C 0.291 177.885 177.584 0.016 0.000 1.112 530 A CA -0.419 51.654 52.037 0.059 0.000 0.804 530 A CB 0.083 19.091 19.000 0.014 0.000 1.081 530 A HN 0.863 nan 8.150 nan 0.000 0.499 531 N N -0.662 118.043 118.700 0.008 0.000 2.741 531 N HA 0.300 5.040 4.740 -0.000 0.000 0.310 531 N C -0.584 174.918 175.510 -0.012 0.000 1.295 531 N CA -0.349 52.703 53.050 0.003 0.000 0.893 531 N CB 0.258 38.751 38.487 0.009 0.000 1.247 531 N HN 0.683 nan 8.380 nan 0.000 0.596 532 N N -0.235 118.465 118.700 0.000 0.000 2.727 532 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 532 N C 0.826 176.311 175.510 -0.042 0.000 1.048 532 N CA 0.382 53.425 53.050 -0.012 0.000 0.714 532 N CB -1.171 37.308 38.487 -0.014 0.000 0.959 532 N HN 0.895 nan 8.380 nan 0.000 0.544 533 G N 0.099 108.882 108.800 -0.028 0.000 2.622 533 G HA2 -0.503 3.457 3.960 -0.000 0.000 0.307 533 G HA3 -0.503 3.457 3.960 -0.000 0.000 0.307 533 G C 1.143 176.013 174.900 -0.050 0.000 1.226 533 G CA 1.672 46.752 45.100 -0.034 0.000 0.997 533 G HN 0.822 nan 8.290 nan 0.000 0.551 534 T N -0.783 113.735 114.554 -0.060 0.000 2.962 534 T HA 0.045 4.395 4.350 -0.000 0.000 0.270 534 T C 2.072 176.726 174.700 -0.076 0.000 1.088 534 T CA 1.823 63.888 62.100 -0.059 0.000 1.127 534 T CB -0.121 68.716 68.868 -0.051 0.000 0.883 534 T HN 0.523 nan 8.240 nan 0.000 0.493 535 K N 2.252 122.579 120.400 -0.122 0.000 2.044 535 K HA 0.039 4.359 4.320 -0.000 0.000 0.210 535 K C 1.599 178.158 176.600 -0.069 0.000 1.049 535 K CA 1.121 57.333 56.287 -0.125 0.000 0.927 535 K CB -1.252 31.139 32.500 -0.181 0.000 0.713 535 K HN 0.721 nan 8.250 nan 0.000 0.443 536 A N 1.507 124.287 122.820 -0.067 0.000 2.519 536 A HA -0.162 4.158 4.320 -0.000 0.000 0.297 536 A C 0.381 177.906 177.584 -0.098 0.000 1.472 536 A CA 1.097 53.099 52.037 -0.059 0.000 0.739 536 A CB -2.349 16.623 19.000 -0.046 0.000 1.096 536 A HN 0.472 nan 8.150 nan 0.000 0.414 537 T N -0.659 113.822 114.554 -0.122 0.000 2.902 537 T HA 0.763 5.113 4.350 -0.000 0.000 0.283 537 T C -1.957 172.618 174.700 -0.208 0.000 1.009 537 T CA -1.659 60.276 62.100 -0.275 0.000 1.051 537 T CB 2.171 70.932 68.868 -0.178 0.000 0.999 537 T HN 0.401 nan 8.240 nan 0.000 0.474 538 P HA 0.204 nan 4.420 nan 0.000 0.274 538 P C 0.775 177.947 177.300 -0.213 0.000 1.256 538 P CA -0.344 62.561 63.100 -0.324 0.000 0.795 538 P CB 0.361 31.598 31.700 -0.771 0.000 1.038 539 T N -0.804 113.656 114.554 -0.157 0.000 2.881 539 T HA 0.016 4.366 4.350 -0.000 0.000 0.270 539 T C 0.600 175.244 174.700 -0.092 0.000 1.068 539 T CA 1.302 63.346 62.100 -0.094 0.000 1.131 539 T CB -0.465 68.354 68.868 -0.082 0.000 0.871 539 T HN 0.313 nan 8.240 nan 0.000 0.479 540 L N 0.076 121.203 121.223 -0.160 0.000 2.781 540 L HA 0.334 4.674 4.340 -0.000 0.000 0.256 540 L C -1.790 174.980 176.870 -0.167 0.000 0.930 540 L CA -0.533 54.240 54.840 -0.112 0.000 0.967 540 L CB 1.929 43.947 42.059 -0.069 0.000 1.551 540 L HN -0.048 nan 8.230 nan 0.000 0.445 541 Q N 3.839 123.594 119.800 -0.076 0.000 2.325 541 Q HA 0.908 5.248 4.340 -0.000 0.000 0.270 541 Q C -1.706 174.309 176.000 0.025 0.000 1.020 541 Q CA -0.244 55.534 55.803 -0.040 0.000 0.785 541 Q CB 1.974 30.744 28.738 0.053 0.000 1.259 541 Q HN 0.988 nan 8.270 nan 0.000 0.452 542 A N 3.271 126.146 122.820 0.091 0.000 2.582 542 A HA 0.249 4.569 4.320 -0.000 0.000 0.297 542 A C -1.513 176.206 177.584 0.225 0.000 1.059 542 A CA -0.762 51.384 52.037 0.181 0.000 0.705 542 A CB 1.570 20.592 19.000 0.036 0.000 1.279 542 A HN 0.785 nan 8.150 nan 0.000 0.404 543 D N 2.161 122.735 120.400 0.291 0.000 2.482 543 D HA 0.193 4.833 4.640 -0.000 0.000 0.244 543 D C 0.765 177.160 176.300 0.159 0.000 1.242 543 D CA 0.281 54.373 54.000 0.152 0.000 1.097 543 D CB -0.214 40.595 40.800 0.016 0.000 1.109 543 D HN 0.440 nan 8.370 nan 0.000 0.510 544 L N 2.106 123.430 121.223 0.170 0.000 2.307 544 L HA 0.168 4.508 4.340 -0.000 0.000 0.211 544 L C 0.566 177.594 176.870 0.263 0.000 1.099 544 L CA 0.508 55.489 54.840 0.234 0.000 0.816 544 L CB 0.051 42.235 42.059 0.208 0.000 0.952 544 L HN 0.302 nan 8.230 nan 0.000 0.455 545 L N -2.724 118.603 121.223 0.174 0.000 2.630 545 L HA 0.665 5.005 4.340 -0.000 0.000 0.258 545 L C 0.232 177.134 176.870 0.052 0.000 1.072 545 L CA -0.496 54.419 54.840 0.124 0.000 0.885 545 L CB 1.475 43.618 42.059 0.141 0.000 1.502 545 L HN 0.054 nan 8.230 nan 0.000 0.406 546 G N 0.779 109.588 108.800 0.015 0.000 2.697 546 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.240 546 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.240 546 G C -0.607 174.246 174.900 -0.078 0.000 1.346 546 G CA 0.179 45.253 45.100 -0.044 0.000 0.887 546 G HN 1.006 nan 8.290 nan 0.000 0.569 547 D N -0.541 119.750 120.400 -0.181 0.000 2.274 547 D HA 0.123 4.763 4.640 -0.000 0.000 0.256 547 D C 1.932 178.167 176.300 -0.107 0.000 1.274 547 D CA 0.560 54.444 54.000 -0.193 0.000 0.998 547 D CB -0.454 40.166 40.800 -0.301 0.000 1.139 547 D HN 0.939 nan 8.370 nan 0.000 0.540 548 W N -1.097 120.140 121.300 -0.105 0.000 2.465 548 W HA 0.028 4.688 4.660 -0.000 0.000 0.268 548 W C 0.164 176.658 176.519 -0.042 0.000 1.242 548 W CA -0.506 56.788 57.345 -0.085 0.000 1.248 548 W CB -0.993 28.405 29.460 -0.102 0.000 1.118 548 W HN -0.010 nan 8.180 nan 0.000 0.587 549 R N 2.379 122.446 120.500 -0.722 0.000 2.756 549 R HA 0.024 4.364 4.340 -0.000 0.000 0.264 549 R C 0.181 176.440 176.300 -0.068 0.000 1.026 549 R CA 0.456 56.267 56.100 -0.483 0.000 1.121 549 R CB 0.274 30.176 30.300 -0.664 0.000 0.999 549 R HN 0.139 nan 8.270 nan 0.000 0.449 550 E N 1.444 121.735 120.200 0.152 0.000 2.266 550 E HA 0.128 4.478 4.350 -0.000 0.000 0.277 550 E C -0.580 176.185 176.600 0.275 0.000 1.018 550 E CA -0.562 55.985 56.400 0.245 0.000 0.840 550 E CB 1.091 30.998 29.700 0.345 0.000 1.082 550 E HN 0.332 nan 8.360 nan 0.000 0.395 551 E N 0.859 121.194 120.200 0.226 0.000 2.313 551 E HA 0.241 4.591 4.350 -0.000 0.000 0.272 551 E C -1.013 175.656 176.600 0.116 0.000 1.038 551 E CA -0.474 56.078 56.400 0.253 0.000 0.863 551 E CB 1.362 31.204 29.700 0.236 0.000 1.060 551 E HN 0.152 nan 8.360 nan 0.000 0.402 552 V N 2.130 122.060 119.914 0.027 0.000 2.357 552 V HA 0.302 4.422 4.120 -0.000 0.000 0.284 552 V C -0.409 175.502 176.094 -0.306 0.000 1.018 552 V CA -1.052 60.996 62.300 -0.420 0.000 0.841 552 V CB 1.388 32.492 31.823 -1.197 0.000 0.991 552 V HN 0.377 nan 8.190 nan 0.000 0.437 553 V N 4.692 124.436 119.914 -0.283 0.000 2.368 553 V HA 0.330 4.450 4.120 -0.000 0.000 0.266 553 V C -0.387 175.565 176.094 -0.238 0.000 1.045 553 V CA -0.304 61.919 62.300 -0.128 0.000 0.899 553 V CB 0.558 32.343 31.823 -0.065 0.000 1.006 553 V HN 0.775 nan 8.190 nan 0.000 0.470 554 W N 4.563 125.865 121.300 0.003 0.000 2.627 554 W HA 0.563 5.223 4.660 -0.000 0.000 0.339 554 W C 0.455 176.927 176.519 -0.078 0.000 1.058 554 W CA -1.020 56.283 57.345 -0.070 0.000 1.223 554 W CB 2.059 31.457 29.460 -0.105 0.000 1.389 554 W HN 0.619 nan 8.180 nan 0.000 0.541 555 R N 0.041 120.631 120.500 0.150 0.000 2.637 555 R HA 0.467 4.807 4.340 -0.000 0.000 0.269 555 R C 0.487 176.804 176.300 0.028 0.000 1.089 555 R CA -0.263 55.859 56.100 0.036 0.000 1.177 555 R CB 0.117 30.413 30.300 -0.007 0.000 1.091 555 R HN 0.364 nan 8.270 nan 0.000 0.540 556 T N -1.426 113.121 114.554 -0.012 0.000 2.788 556 T HA 0.092 4.442 4.350 -0.000 0.000 0.280 556 T C 0.894 175.581 174.700 -0.022 0.000 0.984 556 T CA -0.675 61.404 62.100 -0.037 0.000 0.972 556 T CB 0.891 69.736 68.868 -0.038 0.000 1.039 556 T HN 0.716 nan 8.240 nan 0.000 0.530 557 E N 0.563 120.742 120.200 -0.037 0.000 2.204 557 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 557 E C 0.879 177.486 176.600 0.011 0.000 0.990 557 E CA 1.342 57.727 56.400 -0.023 0.000 0.821 557 E CB -0.075 29.603 29.700 -0.037 0.000 0.750 557 E HN 0.824 nan 8.360 nan 0.000 0.477 558 D N -1.638 118.775 120.400 0.021 0.000 2.402 558 D HA 0.087 4.726 4.640 -0.000 0.000 0.216 558 D C -0.150 176.206 176.300 0.094 0.000 1.128 558 D CA -0.133 53.897 54.000 0.049 0.000 0.833 558 D CB 0.381 41.200 40.800 0.031 0.000 0.971 558 D HN -0.212 nan 8.370 nan 0.000 0.503 559 S N -0.738 115.020 115.700 0.097 0.000 3.477 559 S HA -0.265 4.205 4.470 -0.000 0.000 0.357 559 S C 1.429 176.141 174.600 0.186 0.000 1.083 559 S CA 0.898 59.194 58.200 0.159 0.000 1.042 559 S CB -2.136 61.268 63.200 0.340 0.000 0.911 559 S HN 0.673 nan 8.310 nan 0.000 0.490 560 S N -0.609 115.144 115.700 0.087 0.000 2.470 560 S HA 0.563 5.033 4.470 -0.000 0.000 0.225 560 S C 0.588 175.194 174.600 0.011 0.000 1.006 560 S CA 0.378 58.613 58.200 0.059 0.000 0.934 560 S CB 0.230 63.444 63.200 0.024 0.000 0.778 560 S HN 1.408 nan 8.310 nan 0.000 0.517 561 A N 0.486 123.293 122.820 -0.021 0.000 2.549 561 A HA 0.700 5.020 4.320 -0.000 0.000 0.297 561 A C -0.972 176.553 177.584 -0.099 0.000 1.061 561 A CA -0.893 51.094 52.037 -0.084 0.000 0.690 561 A CB 0.973 19.926 19.000 -0.077 0.000 1.287 561 A HN 0.335 nan 8.150 nan 0.000 0.402 562 L N 1.246 122.381 121.223 -0.146 0.000 2.357 562 L HA 0.570 4.910 4.340 -0.000 0.000 0.273 562 L C 0.292 177.127 176.870 -0.058 0.000 1.080 562 L CA -0.440 54.341 54.840 -0.099 0.000 0.803 562 L CB 1.230 43.210 42.059 -0.132 0.000 1.174 562 L HN 0.723 nan 8.230 nan 0.000 0.443 563 R N 3.632 124.147 120.500 0.025 0.000 2.371 563 R HA 0.490 4.830 4.340 -0.000 0.000 0.312 563 R C -0.955 175.468 176.300 0.204 0.000 0.980 563 R CA -0.529 55.596 56.100 0.041 0.000 0.867 563 R CB 1.474 31.724 30.300 -0.082 0.000 1.163 563 R HN 0.529 nan 8.270 nan 0.000 0.492 564 I N 4.145 124.820 120.570 0.175 0.000 2.322 564 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 564 I C -0.345 176.036 176.117 0.440 0.000 1.060 564 I CA -0.360 61.116 61.300 0.293 0.000 1.309 564 I CB 0.218 38.391 38.000 0.288 0.000 1.415 564 I HN 0.378 nan 8.210 nan 0.000 0.492 565 Y N 4.396 124.933 120.300 0.395 0.000 2.313 565 Y HA 0.328 4.878 4.550 -0.000 0.000 0.332 565 Y C 0.810 177.035 175.900 0.541 0.000 1.071 565 Y CA -0.089 58.337 58.100 0.544 0.000 1.169 565 Y CB 1.683 40.442 38.460 0.498 0.000 1.192 565 Y HN 0.431 nan 8.280 nan 0.000 0.487 566 T N 2.002 116.930 114.554 0.622 0.000 2.908 566 T HA 0.229 4.579 4.350 -0.000 0.000 0.290 566 T C -0.350 174.305 174.700 -0.076 0.000 1.034 566 T CA -0.583 61.670 62.100 0.256 0.000 1.010 566 T CB 1.215 70.089 68.868 0.011 0.000 1.068 566 T HN 0.644 nan 8.240 nan 0.000 0.481 567 T N 1.287 115.417 114.554 -0.708 0.000 2.919 567 T HA 0.310 4.660 4.350 -0.000 0.000 0.302 567 T C 1.339 175.360 174.700 -1.131 0.000 1.031 567 T CA 0.305 61.608 62.100 -1.328 0.000 1.127 567 T CB 0.365 68.214 68.868 -1.698 0.000 0.952 567 T HN 0.808 nan 8.240 nan 0.000 0.540 568 T N 2.333 116.225 114.554 -1.103 0.000 3.085 568 T HA 0.353 4.703 4.350 -0.000 0.000 0.264 568 T C 0.556 174.510 174.700 -1.242 0.000 1.019 568 T CA -0.320 60.847 62.100 -1.555 0.000 0.910 568 T CB -0.378 68.113 68.868 -0.629 0.000 1.059 568 T HN 0.536 nan 8.240 nan 0.000 0.542 569 I N 3.448 123.492 120.570 -0.876 0.000 2.379 569 I HA 0.315 4.485 4.170 -0.000 0.000 0.290 569 I C -2.342 173.638 176.117 -0.228 0.000 1.063 569 I CA -2.582 58.466 61.300 -0.420 0.000 1.351 569 I CB 0.783 38.597 38.000 -0.311 0.000 1.410 569 I HN -0.028 nan 8.210 nan 0.000 0.505 570 P HA 0.073 nan 4.420 nan 0.000 0.269 570 P C -0.413 176.919 177.300 0.054 0.000 1.209 570 P CA -0.185 63.017 63.100 0.171 0.000 0.776 570 P CB 0.728 32.482 31.700 0.090 0.000 0.876 571 T N 0.249 114.835 114.554 0.054 0.000 2.893 571 T HA 0.184 4.534 4.350 -0.000 0.000 0.293 571 T C 0.804 175.500 174.700 -0.006 0.000 1.027 571 T CA -0.621 61.529 62.100 0.084 0.000 0.988 571 T CB 0.770 69.789 68.868 0.251 0.000 1.043 571 T HN 0.468 nan 8.240 nan 0.000 0.461 572 E N 3.064 123.173 120.200 -0.152 0.000 2.502 572 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 572 E C -0.370 176.037 176.600 -0.321 0.000 1.062 572 E CA 0.167 56.417 56.400 -0.249 0.000 0.867 572 E CB -0.070 29.465 29.700 -0.276 0.000 0.888 572 E HN 0.621 nan 8.360 nan 0.000 0.510 573 H N 1.623 120.749 119.070 0.093 0.000 2.517 573 H HA 0.360 4.917 4.556 0.000 0.000 0.317 573 H C -0.432 174.921 175.328 0.042 0.000 1.080 573 H CA -0.480 55.578 56.048 0.016 0.000 1.301 573 H CB 1.281 31.017 29.762 -0.043 0.000 1.425 573 H HN 0.021 nan 8.280 nan 0.000 0.471 574 R N 3.341 123.816 120.500 -0.042 0.000 2.338 574 R HA 0.436 4.776 4.340 -0.000 0.000 0.317 574 R C -1.408 174.752 176.300 -0.233 0.000 0.968 574 R CA -0.774 55.244 56.100 -0.136 0.000 0.849 574 R CB 0.478 30.595 30.300 -0.304 0.000 1.128 574 R HN 0.348 nan 8.270 nan 0.000 0.448 575 L N 4.255 125.360 121.223 -0.198 0.000 2.422 575 L HA 0.385 4.725 4.340 -0.000 0.000 0.264 575 L C -1.038 175.904 176.870 0.120 0.000 0.984 575 L CA -0.652 54.062 54.840 -0.210 0.000 0.819 575 L CB 1.595 43.232 42.059 -0.703 0.000 1.330 575 L HN 0.516 nan 8.230 nan 0.000 0.410 576 Y N 0.665 121.043 120.300 0.130 0.000 2.805 576 Y HA 0.004 4.554 4.550 0.000 0.000 0.337 576 Y C 1.384 177.318 175.900 0.058 0.000 1.252 576 Y CA 0.648 58.742 58.100 -0.010 0.000 1.515 576 Y CB 0.296 38.651 38.460 -0.174 0.000 1.305 576 Y HN 0.563 nan 8.280 nan 0.000 0.600 577 T N 4.298 118.974 114.554 0.202 0.000 2.923 577 T HA -0.050 4.300 4.350 -0.000 0.000 0.304 577 T C 1.238 175.966 174.700 0.046 0.000 1.044 577 T CA -0.161 61.992 62.100 0.087 0.000 1.141 577 T CB 0.151 68.998 68.868 -0.036 0.000 1.023 577 T HN 0.664 nan 8.240 nan 0.000 0.533 578 L N 4.500 125.672 121.223 -0.084 0.000 2.275 578 L HA -0.049 4.291 4.340 -0.000 0.000 0.215 578 L C 2.453 179.231 176.870 -0.155 0.000 1.119 578 L CA 0.626 55.263 54.840 -0.339 0.000 0.790 578 L CB -0.366 41.053 42.059 -1.066 0.000 0.919 578 L HN 0.649 nan 8.230 nan 0.000 0.443 579 M N -1.190 118.408 119.600 -0.002 0.000 2.686 579 M HA -0.065 4.415 4.480 -0.000 0.000 0.246 579 M C 1.229 177.669 176.300 0.234 0.000 1.096 579 M CA 1.192 56.596 55.300 0.174 0.000 1.076 579 M CB -0.943 31.780 32.600 0.205 0.000 1.504 579 M HN 0.206 nan 8.290 nan 0.000 0.524 580 H N -1.006 118.140 119.070 0.126 0.000 2.652 580 H HA 0.242 4.798 4.556 -0.000 0.000 0.274 580 H C 0.078 175.441 175.328 0.058 0.000 1.021 580 H CA -0.406 55.687 56.048 0.075 0.000 1.187 580 H CB 0.301 30.082 29.762 0.033 0.000 1.505 580 H HN 0.287 nan 8.280 nan 0.000 0.530 581 D N 1.417 121.955 120.400 0.230 0.000 2.308 581 D HA 0.025 4.665 4.640 -0.000 0.000 0.251 581 D C -1.758 174.655 176.300 0.189 0.000 1.127 581 D CA -1.672 52.457 54.000 0.214 0.000 0.876 581 D CB 2.624 43.579 40.800 0.258 0.000 1.176 581 D HN 0.033 nan 8.370 nan 0.000 0.446 582 P HA -0.093 nan 4.420 nan 0.000 0.217 582 P C 1.487 178.856 177.300 0.115 0.000 1.151 582 P CA 0.379 63.511 63.100 0.053 0.000 0.828 582 P CB 0.428 32.111 31.700 -0.029 0.000 0.788 583 V N -1.613 118.392 119.914 0.151 0.000 2.379 583 V HA -0.206 3.914 4.120 -0.000 0.000 0.243 583 V C 2.287 178.468 176.094 0.145 0.000 1.035 583 V CA 1.290 63.689 62.300 0.165 0.000 1.035 583 V CB -1.292 30.635 31.823 0.173 0.000 0.673 583 V HN -0.002 nan 8.190 nan 0.000 0.457 584 Y N 1.378 121.712 120.300 0.056 0.000 2.151 584 Y HA -0.336 4.213 4.550 -0.000 0.000 0.284 584 Y C 2.761 178.634 175.900 -0.045 0.000 1.166 584 Y CA 2.424 60.532 58.100 0.013 0.000 1.163 584 Y CB -0.058 38.440 38.460 0.064 0.000 0.974 584 Y HN 0.128 nan 8.280 nan 0.000 0.511 585 R N 0.697 121.352 120.500 0.258 0.000 2.073 585 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 585 R C 2.047 178.376 176.300 0.049 0.000 1.134 585 R CA 2.115 58.337 56.100 0.204 0.000 0.952 585 R CB -1.016 29.463 30.300 0.299 0.000 0.850 585 R HN 0.510 nan 8.270 nan 0.000 0.433 586 L N -0.541 120.707 121.223 0.041 0.000 2.141 586 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 586 L C 2.407 178.927 176.870 -0.584 0.000 1.094 586 L CA 1.211 56.017 54.840 -0.057 0.000 0.763 586 L CB -1.031 41.101 42.059 0.123 0.000 0.908 586 L HN 0.430 nan 8.230 nan 0.000 0.437 587 G N 1.209 109.555 108.800 -0.757 0.000 2.529 587 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 587 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 587 G C 1.486 175.439 174.900 -1.578 0.000 1.177 587 G CA 0.936 45.038 45.100 -1.664 0.000 0.773 587 G HN 0.175 nan 8.290 nan 0.000 0.573 588 I N 2.028 122.096 120.570 -0.837 0.000 2.179 588 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 588 I C 3.318 179.206 176.117 -0.382 0.000 1.088 588 I CA 1.016 62.000 61.300 -0.526 0.000 1.357 588 I CB -1.603 36.212 38.000 -0.308 0.000 1.051 588 I HN 0.270 nan 8.210 nan 0.000 0.409 589 A N 1.434 124.095 122.820 -0.265 0.000 1.948 589 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 589 A C 2.096 179.632 177.584 -0.079 0.000 1.177 589 A CA 1.949 53.937 52.037 -0.081 0.000 0.636 589 A CB -1.155 17.878 19.000 0.055 0.000 0.815 589 A HN 0.760 nan 8.150 nan 0.000 0.449 590 W N -1.260 119.992 121.300 -0.081 0.000 3.278 590 W HA 0.240 4.900 4.660 -0.000 0.000 0.308 590 W C 1.345 177.794 176.519 -0.116 0.000 1.253 590 W CA 0.343 57.627 57.345 -0.101 0.000 1.759 590 W CB -0.482 28.937 29.460 -0.068 0.000 1.093 590 W HN 0.485 nan 8.180 nan 0.000 0.648 591 Q N 2.952 122.749 119.800 -0.004 0.000 2.112 591 Q HA -0.295 4.045 4.340 -0.000 0.000 0.206 591 Q C 2.283 178.380 176.000 0.161 0.000 0.987 591 Q CA 2.782 58.628 55.803 0.073 0.000 0.858 591 Q CB -0.463 28.194 28.738 -0.136 0.000 0.905 591 Q HN 0.411 nan 8.270 nan 0.000 0.420 592 N N 1.108 119.815 118.700 0.012 0.000 2.309 592 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 592 N C 1.007 176.548 175.510 0.051 0.000 1.018 592 N CA 0.769 53.812 53.050 -0.011 0.000 0.876 592 N CB -0.787 37.546 38.487 -0.255 0.000 0.972 592 N HN 0.480 nan 8.380 nan 0.000 0.434 593 I N -1.531 119.077 120.570 0.063 0.000 2.710 593 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 593 I C 1.195 177.363 176.117 0.084 0.000 1.181 593 I CA -0.235 61.111 61.300 0.076 0.000 1.430 593 I CB 0.582 38.632 38.000 0.083 0.000 1.367 593 I HN 0.328 nan 8.210 nan 0.000 0.577 594 A N 5.283 128.143 122.820 0.067 0.000 5.324 594 A HA -0.315 4.005 4.320 -0.000 0.000 0.337 594 A C 0.129 177.779 177.584 0.111 0.000 1.730 594 A CA 1.716 53.745 52.037 -0.015 0.000 0.711 594 A CB -1.919 17.111 19.000 0.050 0.000 1.434 594 A HN 0.901 nan 8.150 nan 0.000 0.400 595 Y N 2.761 123.099 120.300 0.063 0.000 2.613 595 Y HA 0.283 4.833 4.550 -0.000 0.000 0.354 595 Y C 0.996 176.935 175.900 0.066 0.000 1.063 595 Y CA -0.733 57.395 58.100 0.046 0.000 1.384 595 Y CB -1.053 37.439 38.460 0.053 0.000 1.199 595 Y HN 0.456 nan 8.280 nan 0.000 0.517 596 N N 4.170 123.040 118.700 0.282 0.000 2.219 596 N HA -0.092 4.648 4.740 -0.000 0.000 0.263 596 N C -0.237 175.472 175.510 0.332 0.000 1.269 596 N CA 0.251 53.492 53.050 0.318 0.000 0.831 596 N CB 0.524 39.227 38.487 0.360 0.000 1.059 596 N HN 0.479 nan 8.380 nan 0.000 0.475 597 Q N 1.941 121.854 119.800 0.189 0.000 2.387 597 Q HA 0.475 4.815 4.340 -0.000 0.000 0.273 597 Q C -2.320 173.298 176.000 -0.637 0.000 1.089 597 Q CA -1.852 53.838 55.803 -0.188 0.000 0.824 597 Q CB 1.778 30.406 28.738 -0.183 0.000 1.367 597 Q HN 0.418 nan 8.270 nan 0.000 0.443 598 P HA 0.167 nan 4.420 nan 0.000 0.272 598 P C -2.491 174.452 177.300 -0.594 0.000 1.223 598 P CA -1.087 61.275 63.100 -1.230 0.000 0.784 598 P CB -0.007 31.090 31.700 -1.005 0.000 0.923 599 P HA 0.292 nan 4.420 nan 0.000 0.276 599 P C -0.802 176.210 177.300 -0.480 0.000 1.252 599 P CA 0.091 62.807 63.100 -0.639 0.000 0.802 599 P CB 0.642 31.658 31.700 -1.140 0.000 1.035 600 H N -1.826 117.231 119.070 -0.022 0.000 2.894 600 H HA 0.461 5.017 4.556 -0.000 0.000 0.368 600 H C -0.094 175.396 175.328 0.271 0.000 1.181 600 H CA -0.399 55.772 56.048 0.206 0.000 1.146 600 H CB 1.482 31.344 29.762 0.168 0.000 1.839 600 H HN 0.307 nan 8.280 nan 0.000 0.557 601 T N -1.171 113.605 114.554 0.370 0.000 2.882 601 T HA 0.153 4.503 4.350 -0.000 0.000 0.287 601 T C 1.303 175.955 174.700 -0.080 0.000 0.992 601 T CA -0.304 61.766 62.100 -0.049 0.000 1.076 601 T CB 1.340 69.716 68.868 -0.820 0.000 0.961 601 T HN 0.687 nan 8.240 nan 0.000 0.490 602 S N 1.124 116.818 115.700 -0.010 0.000 2.465 602 S HA 0.005 4.475 4.470 -0.000 0.000 0.241 602 S C 0.403 175.097 174.600 0.156 0.000 1.000 602 S CA -0.074 58.191 58.200 0.108 0.000 0.964 602 S CB -1.095 62.208 63.200 0.173 0.000 0.763 602 S HN 0.792 nan 8.310 nan 0.000 0.512 603 F N -1.418 118.610 119.950 0.131 0.000 2.598 603 F HA 0.737 5.264 4.527 -0.000 0.000 0.327 603 F C -0.552 175.354 175.800 0.177 0.000 1.057 603 F CA -2.678 55.397 58.000 0.125 0.000 0.957 603 F CB 0.388 39.420 39.000 0.053 0.000 1.278 603 F HN -0.076 nan 8.300 nan 0.000 0.484 604 F N 3.953 124.068 119.950 0.276 0.000 2.490 604 F HA 0.331 4.858 4.527 -0.000 0.000 0.357 604 F C -0.722 175.240 175.800 0.270 0.000 1.166 604 F CA -0.787 57.336 58.000 0.204 0.000 1.116 604 F CB 0.135 39.242 39.000 0.179 0.000 1.171 604 F HN 0.566 nan 8.300 nan 0.000 0.576 605 L N 7.612 128.553 121.223 -0.470 0.000 2.259 605 L HA 0.722 5.062 4.340 -0.000 0.000 0.288 605 L C 0.013 176.404 176.870 -0.797 0.000 1.051 605 L CA 0.067 54.571 54.840 -0.561 0.000 0.824 605 L CB -0.023 41.605 42.059 -0.719 0.000 1.206 605 L HN 0.836 nan 8.230 nan 0.000 0.429 606 G N 2.806 111.011 108.800 -0.992 0.000 2.342 606 G HA2 0.049 4.009 3.960 -0.000 0.000 0.297 606 G HA3 0.049 4.009 3.960 -0.000 0.000 0.297 606 G C -1.855 172.932 174.900 -0.188 0.000 1.313 606 G CA -0.874 43.889 45.100 -0.561 0.000 0.830 606 G HN 0.504 nan 8.290 nan 0.000 0.506 607 D N -0.628 119.846 120.400 0.124 0.000 2.458 607 D HA 0.430 5.070 4.640 -0.000 0.000 0.243 607 D C 1.383 177.840 176.300 0.261 0.000 1.146 607 D CA 2.236 56.325 54.000 0.148 0.000 0.877 607 D CB 0.367 41.251 40.800 0.140 0.000 1.176 607 D HN 1.770 nan 8.370 nan 0.000 0.461 608 G N 3.301 112.202 108.800 0.168 0.000 2.136 608 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.242 608 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.242 608 G C 0.526 175.581 174.900 0.257 0.000 0.989 608 G CA 0.434 45.643 45.100 0.182 0.000 0.682 608 G HN 0.716 nan 8.290 nan 0.000 0.522 609 M N -0.029 119.720 119.600 0.249 0.000 2.232 609 M HA 0.704 5.184 4.480 -0.000 0.000 0.321 609 M C 0.800 177.179 176.300 0.132 0.000 1.101 609 M CA 0.195 55.653 55.300 0.264 0.000 1.181 609 M CB 0.634 33.223 32.600 -0.018 0.000 1.432 609 M HN 1.001 nan 8.290 nan 0.000 0.457 610 A N 1.385 124.291 122.820 0.143 0.000 2.346 610 A HA 0.221 4.541 4.320 -0.000 0.000 0.252 610 A C -0.076 177.497 177.584 -0.018 0.000 1.089 610 A CA -0.419 51.655 52.037 0.061 0.000 0.797 610 A CB 0.084 19.128 19.000 0.073 0.000 1.047 610 A HN 0.898 nan 8.150 nan 0.000 0.494 611 E N 0.016 120.198 120.200 -0.031 0.000 2.529 611 E HA 0.128 4.478 4.350 -0.000 0.000 0.259 611 E C 0.410 176.930 176.600 -0.134 0.000 0.966 611 E CA 0.441 56.801 56.400 -0.067 0.000 0.937 611 E CB 0.201 29.884 29.700 -0.029 0.000 0.923 611 E HN 0.567 nan 8.360 nan 0.000 0.468 612 Q N 5.445 125.107 119.800 -0.230 0.000 2.313 612 Q HA 0.293 4.633 4.340 -0.000 0.000 0.266 612 Q C -2.033 173.805 176.000 -0.270 0.000 0.989 612 Q CA -1.629 53.899 55.803 -0.458 0.000 0.890 612 Q CB 0.730 29.022 28.738 -0.744 0.000 1.200 612 Q HN 0.255 nan 8.270 nan 0.000 0.396 613 P HA 0.001 nan 4.420 nan 0.000 0.268 613 P C -1.033 176.122 177.300 -0.241 0.000 1.204 613 P CA -0.257 62.734 63.100 -0.182 0.000 0.768 613 P CB 0.712 32.330 31.700 -0.137 0.000 0.842 614 K N 5.272 125.548 120.400 -0.207 0.000 2.412 614 K HA 0.184 4.504 4.320 -0.000 0.000 0.284 614 K C -2.297 174.042 176.600 -0.435 0.000 1.046 614 K CA -1.474 54.554 56.287 -0.431 0.000 0.999 614 K CB -0.982 31.410 32.500 -0.180 0.000 0.941 614 K HN 0.264 nan 8.250 nan 0.000 0.474 615 P HA 0.056 nan 4.420 nan 0.000 0.267 615 P C -1.074 176.072 177.300 -0.258 0.000 1.205 615 P CA -0.192 62.685 63.100 -0.371 0.000 0.765 615 P CB 0.451 31.912 31.700 -0.398 0.000 0.828 616 N N 4.118 122.719 118.700 -0.164 0.000 2.555 616 N HA 0.284 5.024 4.740 -0.000 0.000 0.244 616 N C -0.750 174.703 175.510 -0.095 0.000 1.114 616 N CA -0.195 52.792 53.050 -0.106 0.000 0.963 616 N CB -0.534 37.914 38.487 -0.065 0.000 1.276 616 N HN 0.335 nan 8.380 nan 0.000 0.510 617 M N 1.168 120.706 119.600 -0.103 0.000 2.484 617 M HA 0.489 4.969 4.480 -0.000 0.000 0.289 617 M C -1.504 174.785 176.300 -0.018 0.000 1.206 617 M CA -1.152 54.078 55.300 -0.117 0.000 0.892 617 M CB 2.043 34.489 32.600 -0.256 0.000 1.712 617 M HN 0.144 nan 8.290 nan 0.000 0.462 618 Y N -1.451 118.816 120.300 -0.055 0.000 2.598 618 Y HA 0.912 5.462 4.550 -0.000 0.000 0.340 618 Y C -1.120 174.773 175.900 -0.011 0.000 1.038 618 Y CA -0.877 57.206 58.100 -0.029 0.000 1.100 618 Y CB 1.683 40.143 38.460 0.000 0.000 1.281 618 Y HN 0.761 nan 8.280 nan 0.000 0.488 619 T N 3.647 118.267 114.554 0.110 0.000 2.888 619 T HA 0.571 4.921 4.350 -0.000 0.000 0.284 619 T C -2.467 172.342 174.700 0.181 0.000 1.017 619 T CA -1.264 60.852 62.100 0.026 0.000 1.022 619 T CB 1.377 70.270 68.868 0.041 0.000 1.013 619 T HN 0.634 nan 8.240 nan 0.000 0.465 620 P HA 0.000 nan 4.420 nan 0.000 0.216 620 P CA 0.000 63.203 63.100 0.172 0.000 0.800 620 P CB 0.000 31.779 31.700 0.131 0.000 0.726