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 1h4j_1_C DATA FIRST_RESID 1 DATA SEQUENCE NDKLVELSKS DDNWVMPGKN YDSNNFSDLK QINKGNVKQL RPAWTFSTGL DATA SEQUENCE LNGHEGAPLV VDGKMYIHTS FPNNTFALGL DDPGTILWQD KPKQNPAARA DATA SEQUENCE VACCDLVNRG LAYWPGDGKT PALILKTQLD GNVAALNAET GETVWKVENS DATA SEQUENCE DIKVGSTLTI APYVVKDKVI IGSSGAELGV RGYLTAYDVK TGEQVWRAYA DATA SEQUENCE TGPDKDLLLA SDFNIKNPHY GQKGLGTGTW EGDAWKIGGG TNWGWYAYDP DATA SEQUENCE GTNLIYFGTG NPAPWNETMR PGDNKWTMTI FGRDADTGEA KFGYQKTPHD DATA SEQUENCE EWEYAGVNVM MLSEQKDKDG KARKLLTHPD RNGIVYTLDR TDGALVSANK DATA SEQUENCE LDDTVNVFKS VDLKTGQPVR DPEYGTRMDH LAKDIcPSAM GYHNQGHDSY DATA SEQUENCE DPKRELFFMG INHIcMDWEP FMLPYRAGQF FVGATLNMYP GPKGDRQNYE DATA SEQUENCE GLGQIKAYNA ITGDYKWEKM ERFAVWGGTM ATAGDLVFYG TLDGYLKARD DATA SEQUENCE SDTGDLLWKF KIPSGAIGYP MTYTHKGTQY VAIYYGVGGW PGVGLVFDLA DATA SEQUENCE DPTAGLGAVG AFKKLANYTQ MGGGVVVFSL DGKGPYDDPN VGEWK 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 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.642 175.510 0.220 0.000 1.280 1 N CA 0.000 53.181 53.050 0.218 0.000 0.885 1 N CB 0.000 38.620 38.487 0.222 0.000 1.341 2 D N 2.248 122.738 120.400 0.149 0.000 2.144 2 D HA -0.112 4.527 4.640 -0.000 0.000 0.200 2 D C 1.325 177.677 176.300 0.088 0.000 0.978 2 D CA 1.084 55.162 54.000 0.129 0.000 0.833 2 D CB 0.535 41.390 40.800 0.092 0.000 0.961 2 D HN 0.525 nan 8.370 nan 0.000 0.470 3 K N 0.721 121.145 120.400 0.040 0.000 2.074 3 K HA -0.081 4.238 4.320 -0.000 0.000 0.209 3 K C 2.244 178.860 176.600 0.028 0.000 1.048 3 K CA 0.596 56.888 56.287 0.008 0.000 0.926 3 K CB -0.264 32.199 32.500 -0.063 0.000 0.713 3 K HN 0.080 nan 8.250 nan 0.000 0.444 4 L N -0.240 121.009 121.223 0.043 0.000 2.012 4 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 4 L C 2.164 179.032 176.870 -0.004 0.000 1.073 4 L CA 1.171 56.023 54.840 0.020 0.000 0.748 4 L CB -0.483 41.580 42.059 0.007 0.000 0.891 4 L HN 0.055 nan 8.230 nan 0.000 0.431 5 V N -0.217 119.750 119.914 0.089 0.000 2.332 5 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 5 V C 2.452 178.580 176.094 0.057 0.000 1.055 5 V CA 2.052 64.415 62.300 0.106 0.000 1.038 5 V CB -0.530 31.419 31.823 0.211 0.000 0.651 5 V HN 0.507 nan 8.190 nan 0.000 0.450 6 E N -0.025 120.209 120.200 0.056 0.000 2.031 6 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 6 E C 2.304 178.918 176.600 0.024 0.000 0.994 6 E CA 1.422 57.846 56.400 0.040 0.000 0.800 6 E CB -0.152 29.570 29.700 0.037 0.000 0.752 6 E HN 0.533 nan 8.360 nan 0.000 0.447 7 L N 0.998 122.233 121.223 0.020 0.000 2.042 7 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 7 L C 2.720 179.587 176.870 -0.005 0.000 1.076 7 L CA 1.606 56.455 54.840 0.015 0.000 0.749 7 L CB -0.450 41.627 42.059 0.030 0.000 0.893 7 L HN 0.250 nan 8.230 nan 0.000 0.432 8 S N -1.002 114.677 115.700 -0.035 0.000 2.500 8 S HA -0.171 4.299 4.470 -0.000 0.000 0.239 8 S C 1.729 176.303 174.600 -0.043 0.000 0.989 8 S CA 0.738 58.891 58.200 -0.078 0.000 0.951 8 S CB -0.300 62.818 63.200 -0.137 0.000 0.759 8 S HN 0.401 nan 8.310 nan 0.000 0.523 9 K N 1.244 121.642 120.400 -0.005 0.000 2.459 9 K HA 0.187 4.507 4.320 -0.000 0.000 0.193 9 K C 0.637 177.250 176.600 0.022 0.000 1.030 9 K CA 0.137 56.434 56.287 0.016 0.000 1.026 9 K CB 0.086 32.604 32.500 0.029 0.000 0.809 9 K HN 0.337 nan 8.250 nan 0.000 0.504 10 S N 1.024 116.737 115.700 0.022 0.000 2.499 10 S HA 0.059 4.529 4.470 -0.000 0.000 0.279 10 S C 0.362 174.997 174.600 0.058 0.000 1.219 10 S CA -0.743 57.480 58.200 0.038 0.000 1.062 10 S CB 0.927 64.150 63.200 0.039 0.000 0.978 10 S HN 0.066 nan 8.310 nan 0.000 0.489 11 D N 2.606 123.048 120.400 0.070 0.000 2.363 11 D HA 0.000 4.640 4.640 -0.000 0.000 0.220 11 D C 0.147 176.546 176.300 0.166 0.000 0.994 11 D CA 0.739 54.799 54.000 0.100 0.000 0.890 11 D CB 0.018 40.861 40.800 0.071 0.000 0.906 11 D HN 0.762 nan 8.370 nan 0.000 0.530 12 D N -0.583 119.910 120.400 0.156 0.000 2.738 12 D HA 0.134 4.774 4.640 -0.000 0.000 0.246 12 D C -0.169 176.242 176.300 0.185 0.000 1.270 12 D CA -0.523 53.610 54.000 0.222 0.000 0.833 12 D CB -0.066 40.842 40.800 0.179 0.000 1.040 12 D HN -0.206 nan 8.370 nan 0.000 0.487 13 N N 0.392 119.202 118.700 0.184 0.000 2.277 13 N HA 0.307 5.047 4.740 -0.000 0.000 0.286 13 N C -1.722 173.945 175.510 0.262 0.000 1.140 13 N CA -0.581 52.555 53.050 0.142 0.000 0.799 13 N CB 1.999 40.524 38.487 0.062 0.000 1.596 13 N HN 0.177 nan 8.380 nan 0.000 0.473 14 W N 3.004 124.302 121.300 -0.003 0.000 2.258 14 W HA 0.227 4.887 4.660 -0.000 0.000 0.287 14 W C 0.043 176.564 176.519 0.004 0.000 1.024 14 W CA -0.579 56.783 57.345 0.028 0.000 1.377 14 W CB 0.504 30.000 29.460 0.060 0.000 1.351 14 W HN 0.340 nan 8.180 nan 0.000 0.334 15 V N 3.147 123.100 119.914 0.064 0.000 3.646 15 V HA 0.256 4.376 4.120 -0.000 0.000 0.277 15 V C 0.241 176.404 176.094 0.115 0.000 1.274 15 V CA 0.814 63.149 62.300 0.058 0.000 1.164 15 V CB -0.895 30.941 31.823 0.022 0.000 0.926 15 V HN 0.403 nan 8.190 nan 0.000 0.442 16 M N -3.315 116.377 119.600 0.153 0.000 2.790 16 M HA 0.668 5.148 4.480 -0.000 0.000 0.272 16 M C -3.395 173.131 176.300 0.376 0.000 1.168 16 M CA -1.640 53.785 55.300 0.209 0.000 0.829 16 M CB 1.204 33.812 32.600 0.013 0.000 1.675 16 M HN -0.295 nan 8.290 nan 0.000 0.505 17 P HA 0.277 nan 4.420 nan 0.000 0.267 17 P C 0.816 178.339 177.300 0.372 0.000 1.205 17 P CA 1.584 65.052 63.100 0.612 0.000 0.765 17 P CB 0.625 32.808 31.700 0.804 0.000 0.828 18 G N 2.596 111.432 108.800 0.058 0.000 2.157 18 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.248 18 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.248 18 G C 0.899 175.694 174.900 -0.175 0.000 0.979 18 G CA 0.617 45.545 45.100 -0.287 0.000 0.650 18 G HN 0.737 nan 8.290 nan 0.000 0.529 19 K N -1.729 118.458 120.400 -0.356 0.000 5.503 19 K HA -0.389 3.931 4.320 -0.000 0.000 0.447 19 K C 0.629 176.938 176.600 -0.485 0.000 0.396 19 K CA 2.945 58.626 56.287 -1.009 0.000 1.904 19 K CB -1.461 30.258 32.500 -1.302 0.000 0.786 19 K HN 1.499 nan 8.250 nan 0.000 0.639 20 N N -3.109 115.465 118.700 -0.211 0.000 2.972 20 N HA 0.265 5.004 4.740 -0.000 0.000 0.262 20 N C 0.005 175.564 175.510 0.081 0.000 1.478 20 N CA -0.481 52.490 53.050 -0.130 0.000 0.841 20 N CB -0.231 38.219 38.487 -0.062 0.000 1.512 20 N HN -0.079 nan 8.380 nan 0.000 0.548 21 Y N -0.336 120.087 120.300 0.204 0.000 2.403 21 Y HA -0.016 4.534 4.550 -0.000 0.000 0.291 21 Y C 0.896 176.986 175.900 0.317 0.000 1.143 21 Y CA 0.975 59.274 58.100 0.331 0.000 1.257 21 Y CB -0.343 38.319 38.460 0.337 0.000 0.984 21 Y HN 0.580 nan 8.280 nan 0.000 0.550 22 D N -1.256 119.359 120.400 0.358 0.000 2.289 22 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 22 D C 0.801 177.260 176.300 0.265 0.000 0.966 22 D CA 0.872 55.032 54.000 0.267 0.000 0.868 22 D CB -0.146 40.771 40.800 0.194 0.000 0.943 22 D HN -0.043 nan 8.370 nan 0.000 0.514 23 S N 0.239 116.108 115.700 0.282 0.000 3.682 23 S HA -0.215 4.255 4.470 -0.000 0.000 0.354 23 S C 0.907 175.695 174.600 0.313 0.000 1.034 23 S CA 0.636 59.019 58.200 0.305 0.000 1.084 23 S CB -1.581 61.849 63.200 0.383 0.000 0.903 23 S HN 0.552 nan 8.310 nan 0.000 0.470 24 N N 1.201 120.061 118.700 0.266 0.000 2.424 24 N HA 0.048 4.788 4.740 -0.000 0.000 0.178 24 N C 0.263 175.985 175.510 0.353 0.000 1.060 24 N CA 0.695 53.945 53.050 0.333 0.000 0.901 24 N CB -0.558 38.137 38.487 0.347 0.000 0.979 24 N HN 0.679 nan 8.380 nan 0.000 0.451 25 N N -1.274 117.565 118.700 0.231 0.000 2.735 25 N HA -0.231 4.509 4.740 -0.000 0.000 0.248 25 N C -1.500 174.200 175.510 0.317 0.000 1.083 25 N CA 0.107 53.287 53.050 0.216 0.000 0.703 25 N CB -1.168 37.467 38.487 0.248 0.000 1.005 25 N HN 0.344 nan 8.380 nan 0.000 0.550 26 F N 0.887 120.905 119.950 0.114 0.000 2.469 26 F HA 0.527 5.053 4.527 -0.000 0.000 0.332 26 F C 0.033 175.880 175.800 0.078 0.000 1.103 26 F CA -0.538 57.536 58.000 0.123 0.000 0.979 26 F CB 1.703 40.761 39.000 0.098 0.000 1.137 26 F HN -0.141 nan 8.300 nan 0.000 0.463 27 S N 4.039 119.318 115.700 -0.702 0.000 2.482 27 S HA 0.284 4.753 4.470 -0.000 0.000 0.303 27 S C 0.191 174.422 174.600 -0.614 0.000 1.091 27 S CA -0.749 57.200 58.200 -0.418 0.000 1.057 27 S CB 0.913 64.023 63.200 -0.150 0.000 1.031 27 S HN 0.750 nan 8.310 nan 0.000 0.485 28 D N 3.008 123.287 120.400 -0.202 0.000 2.355 28 D HA 0.081 4.721 4.640 -0.000 0.000 0.218 28 D C 0.306 176.570 176.300 -0.059 0.000 1.004 28 D CA 0.364 54.333 54.000 -0.052 0.000 0.880 28 D CB 0.095 40.942 40.800 0.080 0.000 0.911 28 D HN 0.506 nan 8.370 nan 0.000 0.528 29 L N 1.567 122.738 121.223 -0.087 0.000 2.513 29 L HA 0.007 4.347 4.340 -0.000 0.000 0.272 29 L C 1.506 178.336 176.870 -0.066 0.000 1.187 29 L CA 0.435 55.240 54.840 -0.059 0.000 0.895 29 L CB 0.439 42.464 42.059 -0.057 0.000 1.147 29 L HN -0.061 nan 8.230 nan 0.000 0.483 30 K N 2.443 122.819 120.400 -0.041 0.000 2.506 30 K HA 0.083 4.403 4.320 -0.000 0.000 0.204 30 K C 1.036 177.612 176.600 -0.041 0.000 1.045 30 K CA -0.312 55.956 56.287 -0.031 0.000 1.074 30 K CB 0.471 32.966 32.500 -0.008 0.000 0.842 30 K HN 0.563 nan 8.250 nan 0.000 0.514 31 Q N 1.257 121.022 119.800 -0.058 0.000 2.050 31 Q HA 0.002 4.342 4.340 -0.000 0.000 0.202 31 Q C 0.152 176.102 176.000 -0.084 0.000 0.980 31 Q CA 1.041 56.800 55.803 -0.073 0.000 0.840 31 Q CB 0.137 28.817 28.738 -0.097 0.000 0.898 31 Q HN 0.449 nan 8.270 nan 0.000 0.424 32 I N 2.386 122.902 120.570 -0.090 0.000 2.304 32 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 32 I C -0.733 175.358 176.117 -0.044 0.000 1.018 32 I CA -0.639 60.608 61.300 -0.088 0.000 1.260 32 I CB 0.860 38.801 38.000 -0.099 0.000 1.390 32 I HN 0.295 nan 8.210 nan 0.000 0.475 33 N N 4.323 122.987 118.700 -0.060 0.000 2.774 33 N HA 0.285 5.025 4.740 -0.000 0.000 0.264 33 N C 0.141 175.605 175.510 -0.076 0.000 1.415 33 N CA -1.203 51.817 53.050 -0.049 0.000 0.815 33 N CB 0.703 39.169 38.487 -0.035 0.000 1.514 33 N HN 0.409 nan 8.380 nan 0.000 0.523 34 K N -1.490 118.867 120.400 -0.072 0.000 2.520 34 K HA -0.055 4.265 4.320 -0.000 0.000 0.197 34 K C 1.051 177.612 176.600 -0.064 0.000 1.044 34 K CA 1.470 57.708 56.287 -0.081 0.000 0.938 34 K CB -0.522 31.937 32.500 -0.069 0.000 0.767 34 K HN 0.621 nan 8.250 nan 0.000 0.481 35 G N 1.819 110.586 108.800 -0.055 0.000 2.492 35 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.214 35 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.214 35 G C 1.037 175.906 174.900 -0.051 0.000 1.147 35 G CA 0.312 45.385 45.100 -0.044 0.000 0.809 35 G HN 0.580 nan 8.290 nan 0.000 0.533 36 N N -0.060 118.597 118.700 -0.071 0.000 2.159 36 N HA 0.062 4.802 4.740 -0.000 0.000 0.217 36 N C 1.432 176.862 175.510 -0.135 0.000 1.223 36 N CA 0.307 53.308 53.050 -0.083 0.000 0.896 36 N CB 0.164 38.603 38.487 -0.079 0.000 1.064 36 N HN 0.066 nan 8.380 nan 0.000 0.518 37 V N 0.911 120.722 119.914 -0.171 0.000 2.380 37 V HA -0.223 3.896 4.120 -0.000 0.000 0.251 37 V C 2.102 177.962 176.094 -0.390 0.000 1.063 37 V CA 1.589 63.695 62.300 -0.323 0.000 1.055 37 V CB -0.637 31.001 31.823 -0.309 0.000 0.657 37 V HN 0.357 nan 8.190 nan 0.000 0.455 38 K N -0.263 120.062 120.400 -0.124 0.000 2.585 38 K HA -0.126 4.193 4.320 -0.000 0.000 0.194 38 K C 1.768 178.397 176.600 0.048 0.000 1.037 38 K CA 0.831 57.154 56.287 0.060 0.000 0.964 38 K CB -0.057 32.498 32.500 0.091 0.000 0.787 38 K HN 0.639 nan 8.250 nan 0.000 0.488 39 Q N -0.027 119.727 119.800 -0.077 0.000 2.247 39 Q HA 0.084 4.424 4.340 -0.000 0.000 0.211 39 Q C -0.422 175.537 176.000 -0.068 0.000 0.861 39 Q CA -0.362 55.423 55.803 -0.030 0.000 0.949 39 Q CB 0.454 29.167 28.738 -0.043 0.000 1.115 39 Q HN 0.050 nan 8.270 nan 0.000 0.507 40 L N 1.910 122.975 121.223 -0.263 0.000 2.513 40 L HA 0.074 4.413 4.340 -0.000 0.000 0.272 40 L C -0.350 176.585 176.870 0.108 0.000 1.187 40 L CA 0.955 55.618 54.840 -0.295 0.000 0.895 40 L CB 0.092 41.575 42.059 -0.960 0.000 1.147 40 L HN -0.051 nan 8.230 nan 0.000 0.483 41 R N 4.189 124.777 120.500 0.147 0.000 2.739 41 R HA 0.550 4.890 4.340 -0.000 0.000 0.271 41 R C -2.669 173.594 176.300 -0.061 0.000 1.010 41 R CA -2.239 53.938 56.100 0.128 0.000 0.897 41 R CB 1.535 31.884 30.300 0.081 0.000 1.236 41 R HN 0.226 nan 8.270 nan 0.000 0.466 42 P HA 0.096 nan 4.420 nan 0.000 0.267 42 P C -0.619 176.535 177.300 -0.244 0.000 1.209 42 P CA 0.368 63.089 63.100 -0.632 0.000 0.763 42 P CB 1.038 32.350 31.700 -0.647 0.000 0.816 43 A N 4.856 127.565 122.820 -0.185 0.000 1.924 43 A HA 0.202 4.522 4.320 -0.000 0.000 0.211 43 A C 0.133 177.858 177.584 0.234 0.000 1.198 43 A CA 0.711 52.800 52.037 0.086 0.000 0.657 43 A CB -0.085 19.076 19.000 0.269 0.000 0.852 43 A HN 0.697 nan 8.150 nan 0.000 0.454 44 W N -1.841 119.424 121.300 -0.059 0.000 3.059 44 W HA 0.532 5.192 4.660 -0.000 0.000 0.329 44 W C -1.133 175.365 176.519 -0.036 0.000 1.246 44 W CA -0.045 57.295 57.345 -0.009 0.000 1.190 44 W CB -0.018 29.471 29.460 0.049 0.000 1.423 44 W HN 0.328 nan 8.180 nan 0.000 0.571 45 T N -0.736 113.996 114.554 0.298 0.000 2.865 45 T HA 0.816 5.165 4.350 -0.000 0.000 0.294 45 T C -1.822 173.138 174.700 0.434 0.000 1.119 45 T CA -0.575 61.632 62.100 0.177 0.000 1.007 45 T CB 3.038 71.967 68.868 0.101 0.000 1.225 45 T HN 0.767 nan 8.240 nan 0.000 0.515 46 F N 1.134 121.171 119.950 0.144 0.000 2.689 46 F HA 0.603 5.130 4.527 -0.000 0.000 0.332 46 F C -0.476 175.322 175.800 -0.004 0.000 1.209 46 F CA -0.530 57.526 58.000 0.094 0.000 1.028 46 F CB 1.931 41.015 39.000 0.139 0.000 1.291 46 F HN 0.838 nan 8.300 nan 0.000 0.500 47 S N 2.875 118.228 115.700 -0.579 0.000 2.545 47 S HA 0.301 4.770 4.470 -0.000 0.000 0.275 47 S C 1.107 175.139 174.600 -0.946 0.000 1.299 47 S CA 0.252 58.146 58.200 -0.509 0.000 1.048 47 S CB 0.994 64.022 63.200 -0.287 0.000 0.938 47 S HN 0.852 nan 8.310 nan 0.000 0.496 48 T N 1.568 115.799 114.554 -0.540 0.000 3.100 48 T HA 0.288 4.638 4.350 -0.000 0.000 0.253 48 T C 1.492 176.074 174.700 -0.196 0.000 1.118 48 T CA 0.614 62.480 62.100 -0.390 0.000 1.058 48 T CB -0.443 68.432 68.868 0.012 0.000 0.953 48 T HN 1.600 nan 8.240 nan 0.000 0.515 49 G N 0.941 109.628 108.800 -0.190 0.000 2.159 49 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.256 49 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.256 49 G C -0.146 174.760 174.900 0.009 0.000 0.977 49 G CA 0.371 45.425 45.100 -0.076 0.000 0.652 49 G HN 0.636 nan 8.290 nan 0.000 0.531 50 L N -0.515 120.739 121.223 0.051 0.000 2.333 50 L HA 0.743 5.083 4.340 -0.000 0.000 0.263 50 L C 0.854 177.796 176.870 0.120 0.000 1.014 50 L CA -1.272 53.626 54.840 0.098 0.000 0.820 50 L CB 1.844 43.980 42.059 0.127 0.000 1.352 50 L HN 0.018 nan 8.230 nan 0.000 0.421 51 L N 0.486 121.768 121.223 0.100 0.000 2.902 51 L HA 0.539 4.879 4.340 -0.000 0.000 0.229 51 L C -0.274 176.685 176.870 0.148 0.000 1.324 51 L CA -0.734 54.147 54.840 0.068 0.000 1.230 51 L CB 0.809 42.868 42.059 0.000 0.000 2.134 51 L HN 0.723 nan 8.230 nan 0.000 0.567 52 N N -1.846 116.891 118.700 0.062 0.000 5.971 52 N HA -0.130 4.610 4.740 -0.000 0.000 0.390 52 N C -0.450 175.192 175.510 0.219 0.000 1.130 52 N CA 0.753 53.849 53.050 0.077 0.000 2.259 52 N CB -0.424 38.106 38.487 0.071 0.000 0.654 52 N HN 0.914 nan 8.380 nan 0.000 0.614 53 G N -0.228 108.679 108.800 0.178 0.000 2.380 53 G HA2 0.284 4.244 3.960 -0.000 0.000 0.242 53 G HA3 0.284 4.244 3.960 -0.000 0.000 0.242 53 G C -0.929 174.130 174.900 0.266 0.000 1.298 53 G CA 0.097 45.333 45.100 0.228 0.000 0.878 53 G HN 0.553 nan 8.290 nan 0.000 0.542 54 H N 1.394 120.469 119.070 0.009 0.000 2.683 54 H HA 0.297 4.853 4.556 -0.000 0.000 0.270 54 H C 0.426 175.774 175.328 0.033 0.000 1.201 54 H CA -0.442 55.530 56.048 -0.126 0.000 1.277 54 H CB 0.570 30.139 29.762 -0.321 0.000 1.400 54 H HN 0.599 nan 8.280 nan 0.000 0.504 55 E N 0.915 121.238 120.200 0.205 0.000 2.561 55 E HA 0.543 4.893 4.350 -0.000 0.000 0.254 55 E C 0.763 177.688 176.600 0.542 0.000 1.213 55 E CA -0.380 56.268 56.400 0.414 0.000 0.995 55 E CB 1.196 31.170 29.700 0.458 0.000 1.233 55 E HN 0.662 nan 8.360 nan 0.000 0.556 56 G N -0.161 109.021 108.800 0.635 0.000 2.562 56 G HA2 0.046 4.006 3.960 -0.000 0.000 0.250 56 G HA3 0.046 4.006 3.960 -0.000 0.000 0.250 56 G C -0.761 174.239 174.900 0.167 0.000 1.269 56 G CA -0.361 45.109 45.100 0.616 0.000 0.919 56 G HN 0.965 nan 8.290 nan 0.000 0.574 57 A N -0.286 122.574 122.820 0.066 0.000 2.604 57 A HA 0.892 5.212 4.320 -0.000 0.000 0.295 57 A C -2.740 174.738 177.584 -0.176 0.000 1.067 57 A CA 0.045 51.802 52.037 -0.467 0.000 0.683 57 A CB 1.708 20.048 19.000 -1.100 0.000 1.281 57 A HN 1.073 nan 8.150 nan 0.000 0.407 58 P HA 0.465 nan 4.420 nan 0.000 0.273 58 P C -0.800 176.452 177.300 -0.080 0.000 1.250 58 P CA -0.126 62.911 63.100 -0.104 0.000 0.793 58 P CB 0.664 32.227 31.700 -0.227 0.000 1.011 59 L N 0.114 121.385 121.223 0.081 0.000 2.334 59 L HA 0.507 4.847 4.340 -0.000 0.000 0.273 59 L C -0.271 176.637 176.870 0.063 0.000 1.013 59 L CA -1.144 53.777 54.840 0.135 0.000 0.816 59 L CB 2.112 44.290 42.059 0.198 0.000 1.278 59 L HN 0.064 nan 8.230 nan 0.000 0.431 60 V N 3.577 123.506 119.914 0.024 0.000 2.409 60 V HA 0.475 4.595 4.120 -0.000 0.000 0.290 60 V C -0.579 175.487 176.094 -0.046 0.000 1.017 60 V CA -0.468 61.759 62.300 -0.121 0.000 0.841 60 V CB 2.112 33.681 31.823 -0.423 0.000 1.003 60 V HN 0.434 nan 8.190 nan 0.000 0.426 61 V N 3.174 123.068 119.914 -0.033 0.000 2.668 61 V HA 0.498 4.618 4.120 -0.000 0.000 0.304 61 V C -0.032 176.045 176.094 -0.028 0.000 1.071 61 V CA -0.728 61.500 62.300 -0.120 0.000 0.894 61 V CB 1.746 33.272 31.823 -0.496 0.000 1.008 61 V HN 0.915 nan 8.190 nan 0.000 0.425 62 D N 3.739 124.130 120.400 -0.016 0.000 2.697 62 D HA -0.131 4.509 4.640 -0.000 0.000 0.238 62 D C 1.267 177.589 176.300 0.037 0.000 1.152 62 D CA 2.167 56.183 54.000 0.027 0.000 0.666 62 D CB -1.011 39.821 40.800 0.053 0.000 1.037 62 D HN 1.722 nan 8.370 nan 0.000 0.423 63 G N -0.185 108.642 108.800 0.045 0.000 2.189 63 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 63 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 63 G C 0.316 175.175 174.900 -0.068 0.000 0.975 63 G CA 0.909 46.055 45.100 0.078 0.000 0.644 63 G HN 0.631 nan 8.290 nan 0.000 0.537 64 K N -0.487 119.838 120.400 -0.125 0.000 2.259 64 K HA 0.712 5.032 4.320 -0.000 0.000 0.249 64 K C -0.262 176.107 176.600 -0.385 0.000 0.942 64 K CA -0.886 55.218 56.287 -0.306 0.000 0.816 64 K CB 2.148 34.443 32.500 -0.343 0.000 1.155 64 K HN 0.183 nan 8.250 nan 0.000 0.428 65 M N 2.671 121.963 119.600 -0.515 0.000 2.294 65 M HA 0.343 4.823 4.480 -0.000 0.000 0.335 65 M C -1.766 174.214 176.300 -0.534 0.000 1.079 65 M CA -0.689 54.371 55.300 -0.400 0.000 0.982 65 M CB 0.855 33.278 32.600 -0.296 0.000 1.651 65 M HN 0.535 nan 8.290 nan 0.000 0.437 66 Y N 5.374 125.595 120.300 -0.132 0.000 2.331 66 Y HA 0.539 5.088 4.550 -0.000 0.000 0.338 66 Y C -0.426 175.496 175.900 0.038 0.000 0.976 66 Y CA -0.498 57.555 58.100 -0.079 0.000 1.137 66 Y CB 1.095 39.553 38.460 -0.002 0.000 1.172 66 Y HN 0.532 nan 8.280 nan 0.000 0.478 67 I N 5.011 125.684 120.570 0.173 0.000 2.404 67 I HA 0.279 4.449 4.170 -0.000 0.000 0.293 67 I C -0.320 176.024 176.117 0.378 0.000 0.992 67 I CA -0.801 60.685 61.300 0.310 0.000 1.149 67 I CB 1.211 39.359 38.000 0.246 0.000 1.315 67 I HN 0.649 nan 8.210 nan 0.000 0.446 68 H N 3.540 122.782 119.070 0.288 0.000 2.670 68 H HA 0.723 5.279 4.556 -0.000 0.000 0.361 68 H C -0.992 174.330 175.328 -0.010 0.000 1.169 68 H CA -0.637 55.502 56.048 0.151 0.000 1.198 68 H CB 1.979 31.829 29.762 0.146 0.000 1.700 68 H HN 0.613 nan 8.280 nan 0.000 0.542 69 T N -0.839 113.644 114.554 -0.119 0.000 2.773 69 T HA 0.470 4.819 4.350 -0.000 0.000 0.278 69 T C 0.232 174.771 174.700 -0.269 0.000 1.011 69 T CA -0.427 61.462 62.100 -0.350 0.000 1.014 69 T CB 0.902 69.706 68.868 -0.106 0.000 1.293 69 T HN 0.810 nan 8.240 nan 0.000 0.554 70 S N -0.019 115.446 115.700 -0.392 0.000 2.661 70 S HA 0.524 4.994 4.470 -0.000 0.000 0.265 70 S C -0.018 174.592 174.600 0.017 0.000 1.225 70 S CA -0.902 57.214 58.200 -0.140 0.000 0.986 70 S CB -0.313 62.803 63.200 -0.139 0.000 1.008 70 S HN 0.710 nan 8.310 nan 0.000 0.565 71 F N 3.131 123.072 119.950 -0.014 0.000 2.642 71 F HA 0.187 4.714 4.527 -0.000 0.000 0.371 71 F C -1.317 174.488 175.800 0.009 0.000 1.120 71 F CA -1.504 56.503 58.000 0.012 0.000 1.331 71 F CB 0.442 39.462 39.000 0.033 0.000 1.044 71 F HN 0.397 nan 8.300 nan 0.000 0.594 72 P HA 0.003 nan 4.420 nan 0.000 0.259 72 P C -1.201 175.807 177.300 -0.487 0.000 1.480 72 P CA 0.280 62.653 63.100 -1.212 0.000 0.842 72 P CB -0.607 30.489 31.700 -1.006 0.000 1.513 73 N N -0.583 117.989 118.700 -0.213 0.000 2.699 73 N HA -0.155 4.585 4.740 -0.000 0.000 0.257 73 N C -0.651 174.806 175.510 -0.087 0.000 1.077 73 N CA 0.161 53.165 53.050 -0.076 0.000 0.702 73 N CB -2.020 36.446 38.487 -0.035 0.000 0.886 73 N HN 0.431 nan 8.380 nan 0.000 0.549 74 N N -0.033 118.609 118.700 -0.096 0.000 2.445 74 N HA 0.498 5.238 4.740 -0.000 0.000 0.264 74 N C -0.494 174.918 175.510 -0.164 0.000 1.227 74 N CA 0.017 52.956 53.050 -0.184 0.000 0.963 74 N CB 0.831 39.163 38.487 -0.260 0.000 1.188 74 N HN 0.084 nan 8.380 nan 0.000 0.491 75 T N 1.097 115.471 114.554 -0.300 0.000 2.881 75 T HA 0.493 4.843 4.350 -0.000 0.000 0.290 75 T C -1.252 173.197 174.700 -0.417 0.000 1.000 75 T CA -0.452 61.572 62.100 -0.126 0.000 0.978 75 T CB 0.459 69.411 68.868 0.140 0.000 0.997 75 T HN 0.203 nan 8.240 nan 0.000 0.443 76 F N 1.122 121.009 119.950 -0.104 0.000 2.579 76 F HA 0.795 5.321 4.527 -0.000 0.000 0.324 76 F C 0.162 175.576 175.800 -0.643 0.000 1.058 76 F CA -1.095 56.717 58.000 -0.313 0.000 0.944 76 F CB 1.793 40.706 39.000 -0.146 0.000 1.245 76 F HN 0.636 nan 8.300 nan 0.000 0.477 77 A N 3.084 125.473 122.820 -0.719 0.000 2.353 77 A HA 0.826 5.146 4.320 -0.000 0.000 0.299 77 A C -1.475 175.696 177.584 -0.688 0.000 1.089 77 A CA -0.523 50.915 52.037 -0.998 0.000 0.736 77 A CB 0.741 18.780 19.000 -1.603 0.000 1.195 77 A HN 0.735 nan 8.150 nan 0.000 0.447 78 L N 2.081 122.922 121.223 -0.637 0.000 2.346 78 L HA 0.697 5.037 4.340 -0.000 0.000 0.274 78 L C 0.777 177.366 176.870 -0.469 0.000 1.007 78 L CA -0.946 53.582 54.840 -0.521 0.000 0.818 78 L CB 2.227 43.948 42.059 -0.563 0.000 1.284 78 L HN 0.796 nan 8.230 nan 0.000 0.424 79 G N 1.581 110.147 108.800 -0.389 0.000 2.338 79 G HA2 0.350 4.310 3.960 -0.000 0.000 0.295 79 G HA3 0.350 4.310 3.960 -0.000 0.000 0.295 79 G C 0.679 175.323 174.900 -0.427 0.000 1.132 79 G CA -0.488 44.416 45.100 -0.326 0.000 0.922 79 G HN 0.460 nan 8.290 nan 0.000 0.427 80 L N 2.126 123.077 121.223 -0.453 0.000 2.263 80 L HA -0.069 4.271 4.340 -0.000 0.000 0.216 80 L C 2.075 178.554 176.870 -0.652 0.000 1.111 80 L CA 1.295 55.726 54.840 -0.682 0.000 0.773 80 L CB -0.196 41.263 42.059 -1.001 0.000 0.906 80 L HN 0.439 nan 8.230 nan 0.000 0.439 81 D N -1.275 118.912 120.400 -0.355 0.000 2.289 81 D HA -0.039 4.601 4.640 -0.000 0.000 0.207 81 D C 0.303 176.400 176.300 -0.338 0.000 0.966 81 D CA 0.714 54.582 54.000 -0.220 0.000 0.868 81 D CB 0.285 41.048 40.800 -0.062 0.000 0.943 81 D HN 0.234 nan 8.370 nan 0.000 0.514 82 D N -1.453 118.722 120.400 -0.376 0.000 2.752 82 D HA 0.128 4.768 4.640 -0.000 0.000 0.242 82 D C -2.254 173.847 176.300 -0.331 0.000 1.295 82 D CA -1.246 52.566 54.000 -0.314 0.000 0.846 82 D CB 1.118 41.845 40.800 -0.123 0.000 1.454 82 D HN -0.200 nan 8.370 nan 0.000 0.535 83 P HA 0.040 nan 4.420 nan 0.000 0.220 83 P C 1.499 178.592 177.300 -0.345 0.000 1.148 83 P CA 0.842 63.512 63.100 -0.718 0.000 0.803 83 P CB 0.327 31.047 31.700 -1.633 0.000 0.782 84 G N -1.312 107.441 108.800 -0.078 0.000 2.535 84 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.218 84 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.218 84 G C 0.353 175.246 174.900 -0.012 0.000 1.122 84 G CA 0.590 45.690 45.100 0.000 0.000 0.769 84 G HN 0.240 nan 8.290 nan 0.000 0.549 85 T N 1.271 115.792 114.554 -0.056 0.000 2.756 85 T HA 0.461 4.811 4.350 -0.000 0.000 0.290 85 T C 0.084 174.735 174.700 -0.082 0.000 0.985 85 T CA -0.363 61.714 62.100 -0.039 0.000 0.955 85 T CB 1.655 70.506 68.868 -0.029 0.000 0.930 85 T HN 0.023 nan 8.240 nan 0.000 0.451 86 I N 4.868 125.423 120.570 -0.025 0.000 2.363 86 I HA 0.029 4.199 4.170 -0.000 0.000 0.292 86 I C 0.988 177.090 176.117 -0.025 0.000 1.075 86 I CA -0.532 60.746 61.300 -0.036 0.000 1.333 86 I CB 0.802 38.869 38.000 0.112 0.000 1.415 86 I HN 0.481 nan 8.210 nan 0.000 0.502 87 L N 7.902 129.055 121.223 -0.116 0.000 1.994 87 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 87 L C 0.520 177.478 176.870 0.146 0.000 1.071 87 L CA 1.636 56.458 54.840 -0.030 0.000 0.745 87 L CB -0.481 41.512 42.059 -0.110 0.000 0.892 87 L HN 0.661 nan 8.230 nan 0.000 0.431 88 W N -0.976 120.340 121.300 0.027 0.000 3.146 88 W HA 0.545 5.205 4.660 -0.000 0.000 0.319 88 W C -1.411 175.133 176.519 0.041 0.000 1.258 88 W CA -1.019 56.348 57.345 0.035 0.000 1.189 88 W CB 0.769 30.245 29.460 0.027 0.000 1.412 88 W HN 0.132 nan 8.180 nan 0.000 0.567 89 Q N 1.345 121.415 119.800 0.450 0.000 2.345 89 Q HA 0.460 4.800 4.340 -0.000 0.000 0.275 89 Q C -2.143 173.982 176.000 0.209 0.000 1.063 89 Q CA -0.708 55.204 55.803 0.182 0.000 0.819 89 Q CB 3.247 31.979 28.738 -0.010 0.000 1.356 89 Q HN 0.366 nan 8.270 nan 0.000 0.418 90 D N 1.615 122.075 120.400 0.101 0.000 2.414 90 D HA 0.262 4.902 4.640 -0.000 0.000 0.232 90 D C -1.210 175.031 176.300 -0.099 0.000 1.070 90 D CA -0.399 53.628 54.000 0.045 0.000 0.839 90 D CB 1.081 41.956 40.800 0.126 0.000 1.079 90 D HN 0.391 nan 8.370 nan 0.000 0.521 91 K N 4.869 125.217 120.400 -0.087 0.000 2.484 91 K HA 0.343 4.663 4.320 -0.000 0.000 0.226 91 K C -2.358 174.186 176.600 -0.093 0.000 1.031 91 K CA -1.659 54.562 56.287 -0.109 0.000 1.026 91 K CB 1.350 33.801 32.500 -0.081 0.000 1.412 91 K HN 0.341 nan 8.250 nan 0.000 0.492 92 P HA -0.023 nan 4.420 nan 0.000 0.267 92 P C -0.850 176.382 177.300 -0.113 0.000 1.200 92 P CA -0.036 63.002 63.100 -0.104 0.000 0.772 92 P CB 0.571 32.201 31.700 -0.117 0.000 0.855 93 K N 2.812 123.169 120.400 -0.073 0.000 2.281 93 K HA 0.284 4.604 4.320 -0.000 0.000 0.272 93 K C -0.111 176.471 176.600 -0.030 0.000 1.048 93 K CA -0.341 55.915 56.287 -0.052 0.000 0.898 93 K CB 0.854 33.339 32.500 -0.025 0.000 1.128 93 K HN 0.444 nan 8.250 nan 0.000 0.460 94 Q N 1.379 121.167 119.800 -0.020 0.000 2.387 94 Q HA 0.223 4.562 4.340 -0.000 0.000 0.273 94 Q C -0.654 175.443 176.000 0.162 0.000 1.089 94 Q CA -1.218 54.629 55.803 0.073 0.000 0.824 94 Q CB 1.685 30.486 28.738 0.104 0.000 1.367 94 Q HN 0.372 nan 8.270 nan 0.000 0.443 95 N N 3.235 122.023 118.700 0.146 0.000 2.414 95 N HA -0.009 4.730 4.740 -0.000 0.000 0.268 95 N C -1.660 173.953 175.510 0.171 0.000 1.286 95 N CA -1.036 52.087 53.050 0.122 0.000 0.896 95 N CB 0.772 39.305 38.487 0.077 0.000 1.093 95 N HN 0.390 nan 8.380 nan 0.000 0.480 96 P HA -0.106 nan 4.420 nan 0.000 0.228 96 P C 0.629 177.930 177.300 0.003 0.000 1.151 96 P CA 0.665 63.840 63.100 0.126 0.000 0.770 96 P CB 0.145 31.912 31.700 0.111 0.000 0.786 97 A N 0.651 123.478 122.820 0.011 0.000 2.067 97 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 97 A C 2.429 179.977 177.584 -0.060 0.000 1.158 97 A CA 1.412 53.437 52.037 -0.021 0.000 0.661 97 A CB -1.202 17.794 19.000 -0.006 0.000 0.801 97 A HN 0.241 nan 8.150 nan 0.000 0.452 98 A N 0.166 122.945 122.820 -0.068 0.000 1.978 98 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 98 A C 2.165 179.625 177.584 -0.207 0.000 1.170 98 A CA 1.582 53.557 52.037 -0.103 0.000 0.636 98 A CB -0.432 18.548 19.000 -0.033 0.000 0.810 98 A HN 0.553 nan 8.150 nan 0.000 0.448 99 R N -0.494 119.808 120.500 -0.330 0.000 2.105 99 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 99 R C 2.358 178.590 176.300 -0.112 0.000 1.135 99 R CA 1.288 57.206 56.100 -0.303 0.000 0.967 99 R CB -0.450 29.665 30.300 -0.309 0.000 0.861 99 R HN 0.520 nan 8.270 nan 0.000 0.442 100 A N 0.582 123.357 122.820 -0.075 0.000 2.015 100 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 100 A C 1.837 179.423 177.584 0.003 0.000 1.163 100 A CA 1.415 53.444 52.037 -0.014 0.000 0.646 100 A CB -0.135 18.857 19.000 -0.014 0.000 0.806 100 A HN 0.241 nan 8.150 nan 0.000 0.448 101 V N -3.944 115.922 119.914 -0.080 0.000 3.249 101 V HA 0.678 4.797 4.120 -0.000 0.000 0.338 101 V C 0.523 176.544 176.094 -0.121 0.000 1.363 101 V CA -0.135 62.055 62.300 -0.184 0.000 1.205 101 V CB -0.770 30.924 31.823 -0.216 0.000 1.164 101 V HN 0.544 nan 8.190 nan 0.000 0.458 102 A N 0.266 123.078 122.820 -0.014 0.000 2.273 102 A HA 0.506 4.826 4.320 -0.000 0.000 0.320 102 A C 1.346 178.960 177.584 0.050 0.000 1.358 102 A CA 0.173 52.204 52.037 -0.009 0.000 0.910 102 A CB 0.325 19.308 19.000 -0.028 0.000 1.159 102 A HN 0.946 nan 8.150 nan 0.000 0.526 103 C N 0.779 120.115 119.300 0.059 0.000 2.398 103 C HA -0.133 4.327 4.460 -0.000 0.000 0.276 103 C C 1.205 176.093 174.990 -0.170 0.000 1.222 103 C CA 1.200 60.229 59.018 0.019 0.000 1.746 103 C CB -1.618 26.088 27.740 -0.057 0.000 2.039 103 C HN 0.754 nan 8.230 nan 0.000 0.470 104 C N 1.941 121.149 119.300 -0.153 0.000 2.987 104 C HA 0.596 5.056 4.460 -0.000 0.000 0.262 104 C C -0.429 174.602 174.990 0.068 0.000 1.531 104 C CA -0.315 58.639 59.018 -0.108 0.000 1.571 104 C CB -2.320 25.302 27.740 -0.198 0.000 2.381 104 C HN 0.847 nan 8.230 nan 0.000 0.519 105 D N 0.476 120.950 120.400 0.124 0.000 10.788 105 D HA -0.161 4.479 4.640 -0.000 0.000 0.346 105 D C -0.214 176.204 176.300 0.196 0.000 3.133 105 D CA 0.276 54.458 54.000 0.304 0.000 2.671 105 D CB 0.077 41.064 40.800 0.312 0.000 1.209 105 D HN 0.477 nan 8.370 nan 0.000 0.941 106 L N 1.456 122.803 121.223 0.208 0.000 2.672 106 L HA 0.250 4.589 4.340 -0.000 0.000 0.238 106 L C 0.976 177.941 176.870 0.159 0.000 1.392 106 L CA -0.688 54.243 54.840 0.153 0.000 1.238 106 L CB -1.177 40.973 42.059 0.152 0.000 1.548 106 L HN 0.321 nan 8.230 nan 0.000 0.423 107 V N -2.640 117.364 119.914 0.150 0.000 3.262 107 V HA 0.533 4.653 4.120 -0.000 0.000 0.313 107 V C -0.021 176.171 176.094 0.164 0.000 1.070 107 V CA -0.689 61.703 62.300 0.153 0.000 1.049 107 V CB 1.918 33.861 31.823 0.201 0.000 1.157 107 V HN 0.547 nan 8.190 nan 0.000 0.454 108 N N 0.382 119.202 118.700 0.200 0.000 2.537 108 N HA 0.338 5.077 4.740 -0.000 0.000 0.281 108 N C 0.071 175.777 175.510 0.326 0.000 1.097 108 N CA -0.579 52.606 53.050 0.226 0.000 0.964 108 N CB 2.358 40.983 38.487 0.231 0.000 1.588 108 N HN 0.704 nan 8.380 nan 0.000 0.511 109 R N 1.382 122.019 120.500 0.228 0.000 2.339 109 R HA 0.210 4.550 4.340 -0.000 0.000 0.199 109 R C 0.915 177.362 176.300 0.246 0.000 1.018 109 R CA 0.851 57.133 56.100 0.303 0.000 1.036 109 R CB -0.051 30.273 30.300 0.040 0.000 0.899 109 R HN 0.732 nan 8.270 nan 0.000 0.473 110 G N -0.977 107.660 108.800 -0.272 0.000 2.361 110 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.331 110 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.331 110 G C -1.447 173.300 174.900 -0.256 0.000 1.324 110 G CA -1.131 43.591 45.100 -0.630 0.000 0.984 110 G HN -0.007 nan 8.290 nan 0.000 0.586 111 L N 0.088 121.263 121.223 -0.079 0.000 2.358 111 L HA 0.863 5.203 4.340 -0.000 0.000 0.268 111 L C 0.873 177.847 176.870 0.173 0.000 1.032 111 L CA -0.619 54.264 54.840 0.072 0.000 0.805 111 L CB 1.722 43.855 42.059 0.123 0.000 1.253 111 L HN 1.147 nan 8.230 nan 0.000 0.452 112 A N 0.677 123.593 122.820 0.160 0.000 2.387 112 A HA 0.763 5.083 4.320 -0.000 0.000 0.303 112 A C -1.907 175.799 177.584 0.205 0.000 1.145 112 A CA -0.378 51.776 52.037 0.196 0.000 0.801 112 A CB 1.628 20.730 19.000 0.170 0.000 1.342 112 A HN 0.601 nan 8.150 nan 0.000 0.440 113 Y N -1.054 119.280 120.300 0.057 0.000 2.504 113 Y HA 0.554 5.104 4.550 -0.000 0.000 0.344 113 Y C -1.908 174.070 175.900 0.130 0.000 1.023 113 Y CA -1.024 57.100 58.100 0.039 0.000 1.020 113 Y CB 1.709 40.157 38.460 -0.020 0.000 1.282 113 Y HN 0.830 nan 8.280 nan 0.000 0.454 114 W N 9.911 130.776 121.300 -0.726 0.000 2.619 114 W HA 0.505 5.165 4.660 -0.000 0.000 0.327 114 W C -2.322 173.695 176.519 -0.837 0.000 1.027 114 W CA -2.760 54.258 57.345 -0.546 0.000 1.233 114 W CB 2.016 31.313 29.460 -0.272 0.000 1.370 114 W HN 0.432 nan 8.180 nan 0.000 0.453 115 P HA -0.005 nan 4.420 nan 0.000 0.217 115 P C 0.373 177.133 177.300 -0.900 0.000 1.148 115 P CA 2.509 65.119 63.100 -0.816 0.000 0.828 115 P CB 0.104 31.496 31.700 -0.513 0.000 0.783 116 G N -0.303 107.440 108.800 -1.763 0.000 2.719 116 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 116 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 116 G C 0.123 174.537 174.900 -0.810 0.000 1.201 116 G CA -0.040 44.229 45.100 -1.385 0.000 0.768 116 G HN 0.269 nan 8.290 nan 0.000 0.629 117 D N 0.838 121.030 120.400 -0.347 0.000 2.527 117 D HA 0.318 4.958 4.640 -0.000 0.000 0.249 117 D C 1.672 177.949 176.300 -0.038 0.000 1.029 117 D CA 1.577 55.523 54.000 -0.091 0.000 0.951 117 D CB 0.201 41.079 40.800 0.130 0.000 1.093 117 D HN 1.641 nan 8.370 nan 0.000 0.464 118 G N -0.085 108.729 108.800 0.024 0.000 4.286 118 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.204 118 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.204 118 G C 1.309 176.235 174.900 0.043 0.000 1.218 118 G CA 0.046 45.157 45.100 0.019 0.000 1.010 118 G HN 0.080 nan 8.290 nan 0.000 0.384 119 K N 0.834 121.274 120.400 0.067 0.000 2.097 119 K HA 0.061 4.380 4.320 -0.000 0.000 0.205 119 K C 0.180 176.834 176.600 0.090 0.000 1.050 119 K CA 1.147 57.475 56.287 0.068 0.000 0.938 119 K CB -0.304 32.237 32.500 0.068 0.000 0.718 119 K HN 0.371 nan 8.250 nan 0.000 0.442 120 T N 3.544 118.188 114.554 0.150 0.000 2.824 120 T HA 0.326 4.676 4.350 -0.000 0.000 0.280 120 T C -2.432 172.386 174.700 0.198 0.000 0.995 120 T CA -1.494 60.728 62.100 0.204 0.000 1.009 120 T CB 2.165 71.222 68.868 0.315 0.000 0.955 120 T HN 0.132 nan 8.240 nan 0.000 0.452 121 P HA 0.396 nan 4.420 nan 0.000 0.277 121 P C -0.714 176.642 177.300 0.093 0.000 1.271 121 P CA -0.625 62.523 63.100 0.080 0.000 0.795 121 P CB 0.538 32.270 31.700 0.053 0.000 1.101 122 A N 1.101 123.917 122.820 -0.006 0.000 2.511 122 A HA 0.355 4.675 4.320 -0.000 0.000 0.242 122 A C 0.147 177.736 177.584 0.009 0.000 1.069 122 A CA 0.136 52.116 52.037 -0.095 0.000 0.763 122 A CB -0.815 18.170 19.000 -0.024 0.000 1.001 122 A HN 0.470 nan 8.150 nan 0.000 0.498 123 L N 2.601 123.815 121.223 -0.016 0.000 2.354 123 L HA 0.502 4.842 4.340 -0.000 0.000 0.269 123 L C -0.566 176.287 176.870 -0.028 0.000 1.005 123 L CA -0.800 54.043 54.840 0.005 0.000 0.819 123 L CB 1.769 43.858 42.059 0.050 0.000 1.311 123 L HN 0.481 nan 8.230 nan 0.000 0.423 124 I N 3.487 124.045 120.570 -0.019 0.000 2.339 124 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 124 I C -0.322 175.761 176.117 -0.057 0.000 0.994 124 I CA -0.302 61.005 61.300 0.011 0.000 1.191 124 I CB 1.599 39.639 38.000 0.067 0.000 1.343 124 I HN 0.405 nan 8.210 nan 0.000 0.458 125 L N 7.890 129.092 121.223 -0.035 0.000 2.317 125 L HA 0.521 4.860 4.340 -0.000 0.000 0.281 125 L C 0.060 176.907 176.870 -0.038 0.000 1.024 125 L CA -0.441 54.340 54.840 -0.099 0.000 0.810 125 L CB 1.229 43.252 42.059 -0.059 0.000 1.240 125 L HN 0.565 nan 8.230 nan 0.000 0.427 126 K N 0.322 120.675 120.400 -0.079 0.000 2.512 126 K HA 0.815 5.135 4.320 -0.000 0.000 0.263 126 K C -1.074 175.506 176.600 -0.033 0.000 0.966 126 K CA -0.817 55.454 56.287 -0.026 0.000 0.851 126 K CB 2.100 34.598 32.500 -0.004 0.000 1.395 126 K HN 0.496 nan 8.250 nan 0.000 0.440 127 T N -1.084 113.474 114.554 0.007 0.000 2.912 127 T HA 0.413 4.763 4.350 -0.000 0.000 0.288 127 T C -0.554 174.168 174.700 0.036 0.000 1.030 127 T CA -0.868 61.244 62.100 0.020 0.000 1.020 127 T CB 1.597 70.493 68.868 0.046 0.000 1.056 127 T HN 0.605 nan 8.240 nan 0.000 0.480 128 Q N 1.252 121.078 119.800 0.043 0.000 2.377 128 Q HA 0.383 4.723 4.340 -0.000 0.000 0.271 128 Q C 0.734 176.803 176.000 0.115 0.000 1.077 128 Q CA -1.039 54.805 55.803 0.069 0.000 0.820 128 Q CB 2.617 31.380 28.738 0.041 0.000 1.347 128 Q HN 0.522 nan 8.270 nan 0.000 0.444 129 L N 2.273 123.612 121.223 0.194 0.000 2.129 129 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 129 L C 1.212 178.172 176.870 0.151 0.000 1.087 129 L CA 2.358 57.322 54.840 0.205 0.000 0.757 129 L CB -0.326 41.949 42.059 0.360 0.000 0.896 129 L HN 0.893 nan 8.230 nan 0.000 0.434 130 D N -1.444 119.063 120.400 0.179 0.000 2.336 130 D HA 0.062 4.701 4.640 -0.000 0.000 0.229 130 D C 1.412 177.761 176.300 0.082 0.000 1.061 130 D CA 0.888 54.963 54.000 0.125 0.000 0.875 130 D CB -0.035 40.853 40.800 0.146 0.000 0.904 130 D HN 0.429 nan 8.370 nan 0.000 0.525 131 G N -0.419 108.427 108.800 0.076 0.000 2.195 131 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.224 131 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.224 131 G C 0.072 175.006 174.900 0.058 0.000 0.990 131 G CA -0.225 44.916 45.100 0.068 0.000 0.639 131 G HN 0.402 nan 8.290 nan 0.000 0.514 132 N N 0.093 118.819 118.700 0.044 0.000 2.524 132 N HA 0.532 5.271 4.740 -0.000 0.000 0.283 132 N C -0.251 175.258 175.510 -0.002 0.000 1.142 132 N CA 0.082 53.144 53.050 0.021 0.000 0.984 132 N CB 2.031 40.526 38.487 0.012 0.000 1.155 132 N HN 0.123 nan 8.380 nan 0.000 0.467 133 V N 0.845 120.744 119.914 -0.026 0.000 2.487 133 V HA 0.698 4.818 4.120 -0.000 0.000 0.298 133 V C -0.139 175.881 176.094 -0.124 0.000 1.028 133 V CA -0.800 61.462 62.300 -0.064 0.000 0.860 133 V CB 1.248 33.015 31.823 -0.094 0.000 0.991 133 V HN 0.792 nan 8.190 nan 0.000 0.427 134 A N 3.662 126.323 122.820 -0.264 0.000 2.401 134 A HA 0.984 5.304 4.320 -0.000 0.000 0.310 134 A C -0.351 176.792 177.584 -0.735 0.000 1.075 134 A CA -0.460 51.296 52.037 -0.469 0.000 0.746 134 A CB 1.867 20.708 19.000 -0.266 0.000 1.277 134 A HN 1.367 nan 8.150 nan 0.000 0.425 135 A N 1.517 123.657 122.820 -1.133 0.000 2.304 135 A HA 0.680 5.000 4.320 -0.000 0.000 0.314 135 A C -1.103 176.124 177.584 -0.594 0.000 1.187 135 A CA -0.285 51.144 52.037 -1.013 0.000 0.810 135 A CB 0.200 18.173 19.000 -1.712 0.000 1.183 135 A HN 0.677 nan 8.150 nan 0.000 0.487 136 L N 1.905 122.914 121.223 -0.357 0.000 2.334 136 L HA 0.407 4.747 4.340 -0.000 0.000 0.273 136 L C 0.599 177.330 176.870 -0.231 0.000 1.013 136 L CA -0.589 54.078 54.840 -0.290 0.000 0.816 136 L CB 1.339 43.252 42.059 -0.243 0.000 1.278 136 L HN 0.777 nan 8.230 nan 0.000 0.431 137 N N 1.465 120.004 118.700 -0.268 0.000 2.427 137 N HA 0.035 4.775 4.740 -0.000 0.000 0.269 137 N C 0.873 176.298 175.510 -0.142 0.000 1.235 137 N CA 0.490 53.433 53.050 -0.179 0.000 0.934 137 N CB 1.461 39.832 38.487 -0.193 0.000 1.121 137 N HN 0.783 nan 8.380 nan 0.000 0.480 138 A N 3.882 126.731 122.820 0.048 0.000 2.032 138 A HA -0.189 4.131 4.320 -0.000 0.000 0.221 138 A C 1.875 179.735 177.584 0.460 0.000 1.165 138 A CA 1.618 53.818 52.037 0.272 0.000 0.645 138 A CB -0.217 18.957 19.000 0.290 0.000 0.807 138 A HN 0.869 nan 8.150 nan 0.000 0.453 139 E N -1.531 118.804 120.200 0.224 0.000 2.251 139 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 139 E C 1.938 178.605 176.600 0.113 0.000 0.964 139 E CA 1.078 57.634 56.400 0.260 0.000 0.868 139 E CB 0.248 30.037 29.700 0.148 0.000 0.828 139 E HN 0.724 nan 8.360 nan 0.000 0.481 140 T N -4.143 110.284 114.554 -0.211 0.000 3.000 140 T HA 0.275 4.624 4.350 -0.000 0.000 0.248 140 T C 1.510 175.606 174.700 -1.007 0.000 1.034 140 T CA 0.684 62.559 62.100 -0.375 0.000 1.060 140 T CB 0.826 69.566 68.868 -0.213 0.000 0.983 140 T HN 0.233 nan 8.240 nan 0.000 0.482 141 G N 2.335 110.262 108.800 -1.455 0.000 2.176 141 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 141 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 141 G C -0.135 174.266 174.900 -0.833 0.000 0.979 141 G CA 0.232 44.127 45.100 -2.010 0.000 0.641 141 G HN 1.024 nan 8.290 nan 0.000 0.530 142 E N 0.652 120.542 120.200 -0.515 0.000 2.373 142 E HA 0.505 4.855 4.350 -0.000 0.000 0.263 142 E C -0.351 176.088 176.600 -0.268 0.000 1.073 142 E CA -0.215 56.006 56.400 -0.299 0.000 0.894 142 E CB 0.631 30.212 29.700 -0.199 0.000 1.008 142 E HN 0.060 nan 8.360 nan 0.000 0.420 143 T N 2.243 116.677 114.554 -0.201 0.000 2.779 143 T HA 0.083 4.433 4.350 -0.000 0.000 0.296 143 T C 1.063 175.669 174.700 -0.157 0.000 0.938 143 T CA -0.538 61.445 62.100 -0.195 0.000 1.119 143 T CB 1.088 69.867 68.868 -0.148 0.000 0.891 143 T HN 0.390 nan 8.240 nan 0.000 0.526 144 V N 3.262 123.053 119.914 -0.205 0.000 2.500 144 V HA 0.186 4.306 4.120 -0.000 0.000 0.243 144 V C 0.568 176.679 176.094 0.028 0.000 1.039 144 V CA 0.809 63.047 62.300 -0.104 0.000 1.053 144 V CB -0.143 31.607 31.823 -0.121 0.000 0.695 144 V HN 0.928 nan 8.190 nan 0.000 0.463 145 W N -0.660 120.581 121.300 -0.098 0.000 3.146 145 W HA 0.696 5.356 4.660 -0.000 0.000 0.319 145 W C -1.312 175.138 176.519 -0.116 0.000 1.258 145 W CA -1.060 56.223 57.345 -0.103 0.000 1.189 145 W CB 1.659 31.050 29.460 -0.116 0.000 1.412 145 W HN -0.114 nan 8.180 nan 0.000 0.567 146 K N 2.047 122.648 120.400 0.335 0.000 2.553 146 K HA 0.539 4.858 4.320 -0.000 0.000 0.250 146 K C -1.602 175.115 176.600 0.195 0.000 0.953 146 K CA -0.476 55.923 56.287 0.187 0.000 0.800 146 K CB 2.575 35.087 32.500 0.020 0.000 1.243 146 K HN 0.595 nan 8.250 nan 0.000 0.435 147 V N -0.336 119.675 119.914 0.162 0.000 3.040 147 V HA 0.571 4.691 4.120 -0.000 0.000 0.312 147 V C -0.865 175.234 176.094 0.008 0.000 1.115 147 V CA -0.978 61.343 62.300 0.036 0.000 0.998 147 V CB 1.845 33.617 31.823 -0.084 0.000 1.042 147 V HN 0.824 nan 8.190 nan 0.000 0.433 148 E N 1.671 121.888 120.200 0.028 0.000 2.194 148 E HA 0.295 4.645 4.350 -0.000 0.000 0.284 148 E C 0.007 176.668 176.600 0.102 0.000 1.035 148 E CA 0.103 56.535 56.400 0.055 0.000 0.836 148 E CB 1.386 31.119 29.700 0.055 0.000 1.070 148 E HN 0.834 nan 8.360 nan 0.000 0.401 149 N N 1.347 120.120 118.700 0.122 0.000 2.564 149 N HA 0.016 4.756 4.740 -0.000 0.000 0.202 149 N C -0.508 175.150 175.510 0.247 0.000 1.052 149 N CA 0.199 53.381 53.050 0.220 0.000 0.872 149 N CB 0.811 39.415 38.487 0.195 0.000 1.303 149 N HN 0.162 nan 8.380 nan 0.000 0.440 150 S N -0.237 115.565 115.700 0.169 0.000 2.526 150 S HA 0.272 4.742 4.470 -0.000 0.000 0.293 150 S C -1.752 172.917 174.600 0.115 0.000 1.092 150 S CA -0.712 57.593 58.200 0.174 0.000 0.980 150 S CB 1.854 65.121 63.200 0.112 0.000 1.048 150 S HN 0.271 nan 8.310 nan 0.000 0.483 151 D N 1.617 122.082 120.400 0.108 0.000 2.392 151 D HA 0.297 4.937 4.640 -0.000 0.000 0.228 151 D C 1.260 177.584 176.300 0.041 0.000 1.074 151 D CA -0.835 53.205 54.000 0.065 0.000 0.838 151 D CB 0.473 41.306 40.800 0.055 0.000 1.067 151 D HN 0.515 nan 8.370 nan 0.000 0.511 152 I N 1.112 121.696 120.570 0.024 0.000 2.454 152 I HA -0.125 4.045 4.170 -0.000 0.000 0.254 152 I C 1.501 177.602 176.117 -0.026 0.000 1.156 152 I CA 0.671 61.968 61.300 -0.005 0.000 1.433 152 I CB -0.076 37.921 38.000 -0.006 0.000 1.082 152 I HN 0.165 nan 8.210 nan 0.000 0.432 153 K N 0.920 121.311 120.400 -0.015 0.000 2.360 153 K HA -0.014 4.306 4.320 -0.000 0.000 0.201 153 K C 1.509 178.084 176.600 -0.042 0.000 1.046 153 K CA 1.062 57.331 56.287 -0.029 0.000 0.940 153 K CB 0.097 32.587 32.500 -0.016 0.000 0.748 153 K HN 0.319 nan 8.250 nan 0.000 0.465 154 V N -0.864 119.036 119.914 -0.024 0.000 3.578 154 V HA 0.171 4.291 4.120 -0.000 0.000 0.290 154 V C 1.035 177.109 176.094 -0.034 0.000 1.376 154 V CA 0.640 62.928 62.300 -0.020 0.000 1.083 154 V CB 0.695 32.533 31.823 0.026 0.000 0.911 154 V HN 0.538 nan 8.190 nan 0.000 0.433 155 G N 0.341 109.102 108.800 -0.065 0.000 2.194 155 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.236 155 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.236 155 G C 0.483 175.346 174.900 -0.062 0.000 0.987 155 G CA 0.319 45.352 45.100 -0.113 0.000 0.635 155 G HN 0.506 nan 8.290 nan 0.000 0.520 156 S N 1.556 117.259 115.700 0.004 0.000 2.474 156 S HA 0.646 5.116 4.470 -0.000 0.000 0.276 156 S C 0.756 175.369 174.600 0.021 0.000 1.227 156 S CA 1.014 59.236 58.200 0.036 0.000 1.050 156 S CB 0.531 63.799 63.200 0.113 0.000 0.939 156 S HN 1.211 nan 8.310 nan 0.000 0.490 157 T N 2.842 117.399 114.554 0.004 0.000 2.724 157 T HA 0.731 5.081 4.350 -0.000 0.000 0.274 157 T C -0.707 174.004 174.700 0.020 0.000 0.984 157 T CA -0.956 61.151 62.100 0.011 0.000 1.024 157 T CB 0.744 69.606 68.868 -0.011 0.000 1.320 157 T HN 0.478 nan 8.240 nan 0.000 0.555 158 L N 0.900 122.147 121.223 0.039 0.000 2.436 158 L HA 0.566 4.906 4.340 -0.000 0.000 0.268 158 L C 0.460 177.372 176.870 0.069 0.000 0.974 158 L CA -0.677 54.193 54.840 0.050 0.000 0.826 158 L CB 2.671 44.762 42.059 0.055 0.000 1.291 158 L HN 1.178 nan 8.230 nan 0.000 0.406 159 T N -1.062 113.538 114.554 0.076 0.000 3.028 159 T HA 0.261 4.611 4.350 -0.000 0.000 0.262 159 T C 0.620 175.381 174.700 0.101 0.000 0.916 159 T CA -0.087 62.071 62.100 0.097 0.000 0.873 159 T CB 0.549 69.469 68.868 0.086 0.000 1.232 159 T HN 0.268 nan 8.240 nan 0.000 0.529 160 I N 2.594 123.219 120.570 0.091 0.000 2.938 160 I HA 0.516 4.686 4.170 -0.000 0.000 0.285 160 I C 0.511 176.667 176.117 0.064 0.000 1.182 160 I CA -0.599 60.727 61.300 0.043 0.000 1.388 160 I CB 0.928 38.955 38.000 0.045 0.000 1.390 160 I HN 0.418 nan 8.210 nan 0.000 0.600 161 A N 7.421 130.284 122.820 0.072 0.000 2.304 161 A HA 0.649 4.969 4.320 -0.000 0.000 0.301 161 A C -2.474 175.257 177.584 0.246 0.000 1.132 161 A CA -1.433 50.700 52.037 0.161 0.000 0.819 161 A CB 0.382 19.537 19.000 0.258 0.000 1.094 161 A HN 0.478 nan 8.150 nan 0.000 0.492 162 P HA 0.312 nan 4.420 nan 0.000 0.273 162 P C -1.325 176.173 177.300 0.331 0.000 1.250 162 P CA 0.226 63.450 63.100 0.206 0.000 0.793 162 P CB 0.259 32.032 31.700 0.122 0.000 1.011 163 Y N -0.119 120.192 120.300 0.018 0.000 2.361 163 Y HA 0.394 4.944 4.550 -0.000 0.000 0.328 163 Y C -1.191 174.695 175.900 -0.023 0.000 1.044 163 Y CA -0.853 57.249 58.100 0.004 0.000 1.085 163 Y CB 1.338 39.653 38.460 -0.243 0.000 1.194 163 Y HN -0.024 nan 8.280 nan 0.000 0.438 164 V N 6.654 126.472 119.914 -0.160 0.000 2.370 164 V HA 0.554 4.674 4.120 -0.000 0.000 0.279 164 V C -0.685 175.332 176.094 -0.128 0.000 1.029 164 V CA -0.685 61.565 62.300 -0.083 0.000 0.870 164 V CB 1.229 33.086 31.823 0.056 0.000 0.984 164 V HN 0.529 nan 8.190 nan 0.000 0.451 165 V N 5.837 125.659 119.914 -0.153 0.000 2.531 165 V HA 0.506 4.626 4.120 -0.000 0.000 0.301 165 V C 0.497 176.503 176.094 -0.146 0.000 1.034 165 V CA -0.765 61.352 62.300 -0.305 0.000 0.865 165 V CB 1.280 32.749 31.823 -0.591 0.000 0.995 165 V HN 0.974 nan 8.190 nan 0.000 0.424 166 K N 2.606 122.975 120.400 -0.052 0.000 1.692 166 K HA -0.270 4.050 4.320 -0.000 0.000 0.132 166 K C -0.168 176.523 176.600 0.153 0.000 1.028 166 K CA 2.111 58.434 56.287 0.060 0.000 0.304 166 K CB -0.578 31.931 32.500 0.014 0.000 0.686 166 K HN 0.774 nan 8.250 nan 0.000 0.815 167 D N 2.014 122.462 120.400 0.079 0.000 2.772 167 D HA 0.274 4.914 4.640 -0.000 0.000 0.272 167 D C -0.962 175.244 176.300 -0.156 0.000 1.314 167 D CA 0.165 54.176 54.000 0.018 0.000 0.835 167 D CB 0.399 41.236 40.800 0.062 0.000 1.080 167 D HN 0.134 nan 8.370 nan 0.000 0.482 168 K N -0.512 119.808 120.400 -0.133 0.000 2.482 168 K HA 0.669 4.989 4.320 -0.000 0.000 0.257 168 K C -1.035 175.484 176.600 -0.135 0.000 0.969 168 K CA -1.041 55.150 56.287 -0.159 0.000 0.842 168 K CB 3.016 35.427 32.500 -0.149 0.000 1.359 168 K HN -0.248 nan 8.250 nan 0.000 0.441 169 V N 2.682 122.536 119.914 -0.100 0.000 2.459 169 V HA 0.389 4.509 4.120 -0.000 0.000 0.295 169 V C -0.419 175.626 176.094 -0.081 0.000 1.029 169 V CA -0.965 61.316 62.300 -0.032 0.000 0.874 169 V CB 1.482 33.359 31.823 0.090 0.000 0.985 169 V HN 0.579 nan 8.190 nan 0.000 0.438 170 I N 5.735 126.228 120.570 -0.128 0.000 2.321 170 I HA 0.437 4.607 4.170 -0.000 0.000 0.291 170 I C -0.397 175.663 176.117 -0.095 0.000 0.998 170 I CA -0.443 60.709 61.300 -0.247 0.000 1.227 170 I CB 1.393 39.114 38.000 -0.465 0.000 1.368 170 I HN 0.337 nan 8.210 nan 0.000 0.466 171 I N 5.431 125.981 120.570 -0.033 0.000 2.378 171 I HA 0.415 4.584 4.170 -0.000 0.000 0.291 171 I C 0.979 177.103 176.117 0.012 0.000 0.992 171 I CA -0.188 61.151 61.300 0.066 0.000 1.154 171 I CB 1.188 39.288 38.000 0.167 0.000 1.315 171 I HN 0.603 nan 8.210 nan 0.000 0.448 172 G N 4.792 113.629 108.800 0.061 0.000 2.580 172 G HA2 0.544 4.504 3.960 -0.000 0.000 0.225 172 G HA3 0.544 4.504 3.960 -0.000 0.000 0.225 172 G C -0.359 174.457 174.900 -0.141 0.000 1.521 172 G CA 0.012 45.090 45.100 -0.037 0.000 1.068 172 G HN 0.717 nan 8.290 nan 0.000 0.564 173 S N -2.966 112.667 115.700 -0.111 0.000 2.567 173 S HA 0.691 5.161 4.470 -0.000 0.000 0.270 173 S C -1.062 173.552 174.600 0.023 0.000 1.152 173 S CA -0.661 57.439 58.200 -0.167 0.000 0.835 173 S CB 1.709 64.596 63.200 -0.523 0.000 1.115 173 S HN 0.824 nan 8.310 nan 0.000 0.459 174 S N -0.551 115.155 115.700 0.010 0.000 2.546 174 S HA 0.916 5.386 4.470 -0.000 0.000 0.274 174 S C 0.454 175.056 174.600 0.004 0.000 1.121 174 S CA -0.205 58.007 58.200 0.021 0.000 0.887 174 S CB 1.609 64.776 63.200 -0.055 0.000 1.094 174 S HN 2.162 nan 8.310 nan 0.000 0.474 175 G N 0.190 108.993 108.800 0.006 0.000 2.870 175 G HA2 0.062 4.022 3.960 -0.000 0.000 0.216 175 G HA3 0.062 4.022 3.960 -0.000 0.000 0.216 175 G C 0.860 175.817 174.900 0.096 0.000 0.973 175 G CA 0.408 45.520 45.100 0.022 0.000 0.807 175 G HN 0.962 nan 8.290 nan 0.000 0.573 176 A N 0.621 123.538 122.820 0.163 0.000 1.997 176 A HA 0.014 4.333 4.320 -0.000 0.000 0.221 176 A C 1.849 179.611 177.584 0.297 0.000 1.172 176 A CA 2.394 54.586 52.037 0.258 0.000 0.645 176 A CB -0.258 18.929 19.000 0.311 0.000 0.813 176 A HN 0.402 nan 8.150 nan 0.000 0.454 177 E N -1.277 119.068 120.200 0.242 0.000 2.472 177 E HA 0.029 4.379 4.350 -0.000 0.000 0.200 177 E C 0.218 176.943 176.600 0.208 0.000 1.046 177 E CA 0.511 57.062 56.400 0.252 0.000 0.871 177 E CB -0.039 29.803 29.700 0.237 0.000 0.806 177 E HN 0.526 nan 8.360 nan 0.000 0.533 178 L N -1.323 119.979 121.223 0.131 0.000 3.288 178 L HA 0.361 4.701 4.340 -0.000 0.000 0.293 178 L C 0.867 177.877 176.870 0.233 0.000 1.294 178 L CA 0.052 54.929 54.840 0.061 0.000 1.006 178 L CB 0.766 42.690 42.059 -0.225 0.000 1.407 178 L HN 0.038 nan 8.230 nan 0.000 0.592 179 G N 0.171 109.199 108.800 0.379 0.000 2.305 179 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.287 179 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.287 179 G C 0.166 175.167 174.900 0.169 0.000 1.036 179 G CA 0.339 45.635 45.100 0.327 0.000 0.887 179 G HN 0.177 nan 8.290 nan 0.000 0.505 180 V N 0.669 120.693 119.914 0.184 0.000 2.461 180 V HA 0.291 4.411 4.120 -0.000 0.000 0.275 180 V C 1.275 177.489 176.094 0.201 0.000 1.047 180 V CA -0.535 61.866 62.300 0.168 0.000 0.955 180 V CB 1.394 33.311 31.823 0.156 0.000 0.988 180 V HN 0.523 nan 8.190 nan 0.000 0.471 181 R N 3.976 124.599 120.500 0.204 0.000 2.351 181 R HA 0.316 4.656 4.340 -0.000 0.000 0.318 181 R C 0.591 177.130 176.300 0.398 0.000 1.055 181 R CA -0.082 56.178 56.100 0.266 0.000 0.968 181 R CB 0.391 30.833 30.300 0.237 0.000 0.974 181 R HN 0.909 nan 8.270 nan 0.000 0.439 182 G N 3.587 112.590 108.800 0.339 0.000 2.491 182 G HA2 0.208 4.168 3.960 -0.000 0.000 0.238 182 G HA3 0.208 4.168 3.960 -0.000 0.000 0.238 182 G C -1.167 173.918 174.900 0.307 0.000 1.277 182 G CA -0.166 45.095 45.100 0.268 0.000 0.851 182 G HN 0.742 nan 8.290 nan 0.000 0.573 183 Y N -0.495 119.791 120.300 -0.023 0.000 2.465 183 Y HA 0.551 5.101 4.550 -0.000 0.000 0.323 183 Y C -0.992 174.801 175.900 -0.178 0.000 1.191 183 Y CA -1.842 56.108 58.100 -0.248 0.000 1.082 183 Y CB 0.625 38.662 38.460 -0.705 0.000 1.334 183 Y HN 0.711 nan 8.280 nan 0.000 0.449 184 L N 1.112 122.262 121.223 -0.122 0.000 2.334 184 L HA 1.063 5.403 4.340 -0.000 0.000 0.273 184 L C -0.968 175.796 176.870 -0.177 0.000 1.013 184 L CA -0.703 54.030 54.840 -0.179 0.000 0.816 184 L CB 2.440 44.364 42.059 -0.227 0.000 1.278 184 L HN 0.770 nan 8.230 nan 0.000 0.431 185 T N 1.562 115.937 114.554 -0.298 0.000 2.893 185 T HA 0.776 5.126 4.350 -0.000 0.000 0.291 185 T C -0.492 173.688 174.700 -0.866 0.000 1.028 185 T CA -0.498 61.263 62.100 -0.566 0.000 0.995 185 T CB 1.836 70.426 68.868 -0.463 0.000 1.051 185 T HN 0.886 nan 8.240 nan 0.000 0.470 186 A N 2.373 124.387 122.820 -1.342 0.000 2.303 186 A HA 0.789 5.109 4.320 -0.000 0.000 0.320 186 A C -1.471 175.558 177.584 -0.924 0.000 1.192 186 A CA -0.599 50.715 52.037 -1.205 0.000 0.821 186 A CB 0.377 18.223 19.000 -1.923 0.000 1.188 186 A HN 0.783 nan 8.150 nan 0.000 0.492 187 Y N 0.379 120.419 120.300 -0.433 0.000 2.567 187 Y HA 0.381 4.931 4.550 -0.000 0.000 0.333 187 Y C 0.392 176.081 175.900 -0.351 0.000 1.106 187 Y CA -0.755 57.120 58.100 -0.374 0.000 1.157 187 Y CB 1.291 39.540 38.460 -0.351 0.000 1.277 187 Y HN 0.663 nan 8.280 nan 0.000 0.490 188 D N 1.308 121.580 120.400 -0.214 0.000 2.338 188 D HA -0.012 4.628 4.640 -0.000 0.000 0.255 188 D C 0.946 177.054 176.300 -0.321 0.000 1.237 188 D CA 0.405 54.248 54.000 -0.263 0.000 0.883 188 D CB 1.594 42.233 40.800 -0.268 0.000 1.087 188 D HN 0.525 nan 8.370 nan 0.000 0.485 189 V N 5.332 125.062 119.914 -0.307 0.000 2.439 189 V HA -0.264 3.856 4.120 -0.000 0.000 0.253 189 V C 2.139 178.082 176.094 -0.253 0.000 1.074 189 V CA 1.895 64.009 62.300 -0.310 0.000 1.076 189 V CB -0.146 31.195 31.823 -0.803 0.000 0.664 189 V HN 0.530 nan 8.190 nan 0.000 0.461 190 K N -0.489 119.668 120.400 -0.405 0.000 2.076 190 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 190 K C 1.936 178.433 176.600 -0.171 0.000 1.051 190 K CA 1.853 57.982 56.287 -0.265 0.000 0.949 190 K CB -0.173 32.184 32.500 -0.238 0.000 0.726 190 K HN 0.718 nan 8.250 nan 0.000 0.443 191 T N -4.593 109.716 114.554 -0.408 0.000 2.959 191 T HA 0.232 4.582 4.350 -0.000 0.000 0.254 191 T C 1.267 175.356 174.700 -1.018 0.000 1.003 191 T CA 0.464 62.259 62.100 -0.508 0.000 0.950 191 T CB 1.042 69.729 68.868 -0.303 0.000 1.090 191 T HN 0.292 nan 8.240 nan 0.000 0.503 192 G N 1.674 109.578 108.800 -1.492 0.000 2.157 192 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 192 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 192 G C -0.173 174.325 174.900 -0.669 0.000 0.979 192 G CA 0.195 44.216 45.100 -1.799 0.000 0.650 192 G HN 0.901 nan 8.290 nan 0.000 0.529 193 E N 0.669 120.601 120.200 -0.447 0.000 2.344 193 E HA 0.361 4.711 4.350 -0.000 0.000 0.270 193 E C 0.550 177.054 176.600 -0.160 0.000 1.021 193 E CA -0.397 55.866 56.400 -0.229 0.000 0.887 193 E CB 0.283 29.859 29.700 -0.206 0.000 0.997 193 E HN 0.423 nan 8.360 nan 0.000 0.429 194 Q N 3.642 123.360 119.800 -0.138 0.000 2.286 194 Q HA 0.061 4.401 4.340 -0.000 0.000 0.267 194 Q C 0.092 175.927 176.000 -0.276 0.000 1.028 194 Q CA -0.400 55.209 55.803 -0.322 0.000 0.901 194 Q CB 1.110 29.674 28.738 -0.289 0.000 1.183 194 Q HN 0.613 nan 8.270 nan 0.000 0.392 195 V N 5.672 125.373 119.914 -0.354 0.000 2.436 195 V HA 0.149 4.269 4.120 -0.000 0.000 0.240 195 V C 0.368 176.427 176.094 -0.057 0.000 1.040 195 V CA 0.783 62.968 62.300 -0.191 0.000 1.052 195 V CB -0.129 31.582 31.823 -0.186 0.000 0.707 195 V HN 0.856 nan 8.190 nan 0.000 0.469 196 W N -0.099 121.067 121.300 -0.224 0.000 3.167 196 W HA 0.742 5.402 4.660 -0.000 0.000 0.324 196 W C -0.961 175.424 176.519 -0.223 0.000 1.230 196 W CA -0.999 56.235 57.345 -0.186 0.000 1.184 196 W CB 1.786 31.159 29.460 -0.144 0.000 1.414 196 W HN -0.023 nan 8.180 nan 0.000 0.551 197 R N 1.813 122.429 120.500 0.193 0.000 2.515 197 R HA 0.635 4.975 4.340 -0.000 0.000 0.291 197 R C -1.615 174.747 176.300 0.104 0.000 1.046 197 R CA -0.258 55.867 56.100 0.041 0.000 0.914 197 R CB 1.691 31.910 30.300 -0.135 0.000 1.191 197 R HN 0.695 nan 8.270 nan 0.000 0.435 198 A N 4.027 126.917 122.820 0.116 0.000 2.350 198 A HA 0.622 4.942 4.320 -0.000 0.000 0.324 198 A C -1.565 175.978 177.584 -0.069 0.000 1.118 198 A CA -0.536 51.531 52.037 0.050 0.000 0.783 198 A CB 0.714 19.721 19.000 0.012 0.000 1.236 198 A HN 0.652 nan 8.150 nan 0.000 0.457 199 Y N 0.401 120.735 120.300 0.057 0.000 2.488 199 Y HA 0.504 5.054 4.550 -0.000 0.000 0.325 199 Y C 1.272 177.213 175.900 0.068 0.000 1.204 199 Y CA 0.207 58.374 58.100 0.111 0.000 1.229 199 Y CB 1.845 40.365 38.460 0.099 0.000 1.274 199 Y HN 0.699 nan 8.280 nan 0.000 0.493 200 A N 0.142 123.152 122.820 0.317 0.000 2.267 200 A HA 0.252 4.572 4.320 -0.000 0.000 0.213 200 A C 0.494 178.340 177.584 0.436 0.000 1.192 200 A CA 0.917 53.149 52.037 0.324 0.000 0.851 200 A CB -0.496 18.712 19.000 0.348 0.000 0.881 200 A HN 0.714 nan 8.150 nan 0.000 0.494 201 T N -5.326 109.434 114.554 0.343 0.000 2.816 201 T HA 0.659 5.009 4.350 -0.000 0.000 0.299 201 T C 0.174 174.863 174.700 -0.018 0.000 1.230 201 T CA 0.124 62.369 62.100 0.241 0.000 1.007 201 T CB 1.260 70.223 68.868 0.158 0.000 1.289 201 T HN 1.968 nan 8.240 nan 0.000 0.508 202 G N 1.131 109.689 108.800 -0.402 0.000 2.548 202 G HA2 0.072 4.032 3.960 -0.000 0.000 0.208 202 G HA3 0.072 4.032 3.960 -0.000 0.000 0.208 202 G C -3.025 171.477 174.900 -0.663 0.000 1.308 202 G CA -0.621 43.796 45.100 -1.138 0.000 0.924 202 G HN 0.875 nan 8.290 nan 0.000 0.540 203 P HA 0.162 nan 4.420 nan 0.000 0.265 203 P C 0.414 177.608 177.300 -0.176 0.000 1.187 203 P CA 0.329 63.232 63.100 -0.329 0.000 0.766 203 P CB 0.327 31.863 31.700 -0.274 0.000 0.820 204 D N 2.289 122.631 120.400 -0.097 0.000 2.221 204 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 204 D C 1.623 177.874 176.300 -0.081 0.000 0.982 204 D CA 1.334 55.297 54.000 -0.062 0.000 0.857 204 D CB -0.093 40.688 40.800 -0.032 0.000 0.934 204 D HN 0.486 nan 8.370 nan 0.000 0.475 205 K N 0.593 120.944 120.400 -0.081 0.000 2.057 205 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 205 K C 1.172 177.742 176.600 -0.051 0.000 1.049 205 K CA 1.271 57.519 56.287 -0.066 0.000 0.931 205 K CB 0.189 32.651 32.500 -0.063 0.000 0.714 205 K HN -0.052 nan 8.250 nan 0.000 0.440 206 D N 0.649 121.008 120.400 -0.069 0.000 2.224 206 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 206 D C 1.806 178.166 176.300 0.100 0.000 0.965 206 D CA 0.724 54.726 54.000 0.003 0.000 0.852 206 D CB 0.066 40.759 40.800 -0.177 0.000 0.947 206 D HN 0.266 nan 8.370 nan 0.000 0.494 207 L N -0.165 121.053 121.223 -0.009 0.000 2.291 207 L HA -0.001 4.339 4.340 -0.000 0.000 0.214 207 L C 0.449 177.220 176.870 -0.164 0.000 1.120 207 L CA -0.143 54.654 54.840 -0.072 0.000 0.799 207 L CB -0.051 41.938 42.059 -0.118 0.000 0.925 207 L HN -0.015 nan 8.230 nan 0.000 0.446 208 L N 0.997 122.142 121.223 -0.130 0.000 3.755 208 L HA -0.210 4.130 4.340 -0.000 0.000 0.587 208 L C -0.492 176.225 176.870 -0.254 0.000 1.235 208 L CA 0.570 55.308 54.840 -0.169 0.000 0.876 208 L CB -0.748 41.211 42.059 -0.167 0.000 1.431 208 L HN 0.045 nan 8.230 nan 0.000 0.840 209 L N 1.906 122.974 121.223 -0.259 0.000 2.325 209 L HA 0.771 5.110 4.340 -0.000 0.000 0.279 209 L C 1.123 177.897 176.870 -0.160 0.000 1.054 209 L CA -0.134 54.506 54.840 -0.334 0.000 0.804 209 L CB 1.367 43.143 42.059 -0.471 0.000 1.200 209 L HN 0.517 nan 8.230 nan 0.000 0.436 210 A N 1.319 124.090 122.820 -0.082 0.000 2.386 210 A HA 0.241 4.561 4.320 -0.000 0.000 0.248 210 A C 1.248 178.862 177.584 0.050 0.000 1.082 210 A CA 0.192 52.225 52.037 -0.008 0.000 0.789 210 A CB 0.459 19.478 19.000 0.032 0.000 1.025 210 A HN 0.921 nan 8.150 nan 0.000 0.490 211 S N 0.393 116.112 115.700 0.031 0.000 2.469 211 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 211 S C 0.636 175.282 174.600 0.077 0.000 0.998 211 S CA 1.369 59.597 58.200 0.046 0.000 0.957 211 S CB -0.272 62.942 63.200 0.023 0.000 0.764 211 S HN 0.814 nan 8.310 nan 0.000 0.514 212 D N -0.237 120.217 120.400 0.090 0.000 2.559 212 D HA 0.116 4.755 4.640 -0.000 0.000 0.234 212 D C -0.101 176.277 176.300 0.130 0.000 1.226 212 D CA -0.942 53.111 54.000 0.088 0.000 0.830 212 D CB -0.888 39.944 40.800 0.053 0.000 1.028 212 D HN 0.334 nan 8.370 nan 0.000 0.492 213 F N 2.815 122.772 119.950 0.012 0.000 2.593 213 F HA 0.054 4.581 4.527 -0.000 0.000 0.393 213 F C 0.732 176.554 175.800 0.037 0.000 1.037 213 F CA -0.028 57.983 58.000 0.019 0.000 1.195 213 F CB 0.007 39.008 39.000 0.001 0.000 1.034 213 F HN -0.079 nan 8.300 nan 0.000 0.552 214 N N 4.462 122.858 118.700 -0.507 0.000 2.708 214 N HA -0.323 4.417 4.740 -0.000 0.000 0.249 214 N C 1.301 176.658 175.510 -0.254 0.000 1.097 214 N CA 1.190 53.951 53.050 -0.482 0.000 0.710 214 N CB -1.617 36.432 38.487 -0.729 0.000 1.032 214 N HN 0.839 nan 8.380 nan 0.000 0.551 215 I N -0.466 120.028 120.570 -0.128 0.000 2.454 215 I HA -0.210 3.959 4.170 -0.000 0.000 0.254 215 I C 1.699 177.757 176.117 -0.098 0.000 1.156 215 I CA 1.282 62.538 61.300 -0.073 0.000 1.433 215 I CB 0.165 38.151 38.000 -0.024 0.000 1.082 215 I HN 0.039 nan 8.210 nan 0.000 0.432 216 K N 0.744 121.061 120.400 -0.138 0.000 2.400 216 K HA 0.130 4.450 4.320 -0.000 0.000 0.194 216 K C 0.009 176.480 176.600 -0.214 0.000 1.033 216 K CA 0.451 56.648 56.287 -0.150 0.000 1.021 216 K CB -0.041 32.370 32.500 -0.149 0.000 0.808 216 K HN 0.381 nan 8.250 nan 0.000 0.505 217 N N 0.815 119.310 118.700 -0.341 0.000 2.687 217 N HA 0.092 4.832 4.740 -0.000 0.000 0.275 217 N C -2.251 173.012 175.510 -0.411 0.000 1.789 217 N CA -0.855 51.882 53.050 -0.522 0.000 0.806 217 N CB 1.506 39.120 38.487 -1.456 0.000 1.256 217 N HN -0.062 nan 8.380 nan 0.000 0.500 218 P HA -0.207 nan 4.420 nan 0.000 0.220 218 P C 1.083 178.429 177.300 0.077 0.000 1.144 218 P CA 1.448 64.540 63.100 -0.013 0.000 0.800 218 P CB -0.036 31.678 31.700 0.024 0.000 0.772 219 H N -2.541 116.503 119.070 -0.043 0.000 2.524 219 H HA -0.072 4.484 4.556 -0.000 0.000 0.282 219 H C 1.590 177.047 175.328 0.215 0.000 1.016 219 H CA 0.604 56.692 56.048 0.068 0.000 1.270 219 H CB -1.479 28.323 29.762 0.066 0.000 1.394 219 H HN 0.118 nan 8.280 nan 0.000 0.568 220 Y N 1.891 122.017 120.300 -0.290 0.000 2.333 220 Y HA 0.165 4.715 4.550 -0.000 0.000 0.290 220 Y C 1.794 177.716 175.900 0.036 0.000 1.144 220 Y CA 0.686 58.702 58.100 -0.140 0.000 1.228 220 Y CB -0.479 37.902 38.460 -0.132 0.000 0.985 220 Y HN 0.558 nan 8.280 nan 0.000 0.542 221 G N -0.863 108.072 108.800 0.226 0.000 2.484 221 G HA2 0.016 3.976 3.960 -0.000 0.000 0.685 221 G HA3 0.016 3.976 3.960 -0.000 0.000 0.685 221 G C -0.514 174.594 174.900 0.345 0.000 1.294 221 G CA -0.290 44.961 45.100 0.251 0.000 0.879 221 G HN 0.157 nan 8.290 nan 0.000 0.646 222 Q N -0.245 119.781 119.800 0.377 0.000 2.423 222 Q HA 0.328 4.668 4.340 -0.000 0.000 0.201 222 Q C 0.382 176.690 176.000 0.513 0.000 0.842 222 Q CA -0.649 55.439 55.803 0.476 0.000 0.507 222 Q CB 0.649 29.547 28.738 0.267 0.000 3.343 222 Q HN 0.540 nan 8.270 nan 0.000 0.254 223 K N 0.348 120.936 120.400 0.313 0.000 2.168 223 K HA 0.373 4.692 4.320 -0.000 0.000 0.258 223 K C 0.568 177.281 176.600 0.189 0.000 1.010 223 K CA 0.593 57.015 56.287 0.225 0.000 0.929 223 K CB 0.454 33.038 32.500 0.140 0.000 0.998 223 K HN 0.720 nan 8.250 nan 0.000 0.479 224 G N 0.586 109.471 108.800 0.141 0.000 2.228 224 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.270 224 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.270 224 G C 0.592 175.547 174.900 0.092 0.000 0.976 224 G CA 0.355 45.509 45.100 0.091 0.000 0.636 224 G HN 0.412 nan 8.290 nan 0.000 0.542 225 L N 1.357 122.671 121.223 0.151 0.000 2.376 225 L HA 0.268 4.608 4.340 -0.000 0.000 0.219 225 L C 2.863 179.733 176.870 0.000 0.000 1.133 225 L CA 1.825 56.685 54.840 0.033 0.000 0.816 225 L CB -0.914 41.099 42.059 -0.077 0.000 0.933 225 L HN 0.316 nan 8.230 nan 0.000 0.449 226 G N -1.102 107.779 108.800 0.135 0.000 2.470 226 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 226 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 226 G C 1.468 176.335 174.900 -0.056 0.000 1.121 226 G CA 1.488 46.663 45.100 0.125 0.000 0.766 226 G HN 0.477 nan 8.290 nan 0.000 0.553 227 T N -4.017 110.485 114.554 -0.088 0.000 2.989 227 T HA 0.249 4.599 4.350 -0.000 0.000 0.250 227 T C 2.367 177.145 174.700 0.131 0.000 0.981 227 T CA 1.110 63.134 62.100 -0.127 0.000 0.980 227 T CB -0.040 68.648 68.868 -0.300 0.000 1.133 227 T HN 0.133 nan 8.240 nan 0.000 0.489 228 G N 2.601 111.448 108.800 0.078 0.000 2.442 228 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 228 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 228 G C 1.590 176.539 174.900 0.081 0.000 1.141 228 G CA 1.604 46.749 45.100 0.075 0.000 0.763 228 G HN 0.700 nan 8.290 nan 0.000 0.554 229 T N -3.496 111.101 114.554 0.071 0.000 3.324 229 T HA 0.329 4.679 4.350 -0.000 0.000 0.250 229 T C -0.090 174.558 174.700 -0.086 0.000 1.059 229 T CA -0.607 61.463 62.100 -0.051 0.000 0.951 229 T CB -0.238 68.511 68.868 -0.200 0.000 1.030 229 T HN 0.283 nan 8.240 nan 0.000 0.576 230 W N 0.433 121.769 121.300 0.060 0.000 2.975 230 W HA 0.570 5.230 4.660 -0.000 0.000 0.342 230 W C -0.414 176.179 176.519 0.124 0.000 1.168 230 W CA -1.126 56.295 57.345 0.128 0.000 1.141 230 W CB 1.515 31.124 29.460 0.249 0.000 1.445 230 W HN -0.006 nan 8.180 nan 0.000 0.560 231 E N 1.493 121.925 120.200 0.387 0.000 2.092 231 E HA 0.483 4.833 4.350 -0.000 0.000 0.271 231 E C 0.662 177.402 176.600 0.232 0.000 0.919 231 E CA 0.473 57.017 56.400 0.240 0.000 0.760 231 E CB 0.478 30.271 29.700 0.155 0.000 1.106 231 E HN 0.646 nan 8.360 nan 0.000 0.408 232 G N 4.816 113.738 108.800 0.203 0.000 2.528 232 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.262 232 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.262 232 G C 0.268 175.232 174.900 0.106 0.000 1.200 232 G CA 0.137 45.318 45.100 0.136 0.000 0.951 232 G HN 0.666 nan 8.290 nan 0.000 0.566 233 D N 1.355 121.681 120.400 -0.124 0.000 2.328 233 D HA 0.400 5.040 4.640 -0.000 0.000 0.226 233 D C 2.399 178.228 176.300 -0.785 0.000 1.066 233 D CA 1.357 55.010 54.000 -0.579 0.000 0.861 233 D CB -0.367 40.129 40.800 -0.507 0.000 0.912 233 D HN 0.841 nan 8.370 nan 0.000 0.521 234 A N 1.504 124.148 122.820 -0.293 0.000 1.971 234 A HA -0.211 4.109 4.320 -0.000 0.000 0.222 234 A C 2.039 179.293 177.584 -0.551 0.000 1.182 234 A CA 1.523 53.468 52.037 -0.153 0.000 0.649 234 A CB -1.252 17.961 19.000 0.354 0.000 0.818 234 A HN 0.611 nan 8.150 nan 0.000 0.458 235 W N -0.103 120.721 121.300 -0.793 0.000 2.364 235 W HA -0.136 4.524 4.660 -0.000 0.000 0.281 235 W C 1.295 177.392 176.519 -0.704 0.000 1.219 235 W CA 1.104 57.601 57.345 -1.414 0.000 1.220 235 W CB -0.838 27.894 29.460 -1.214 0.000 1.127 235 W HN 0.286 nan 8.180 nan 0.000 0.556 236 K N 1.580 121.313 120.400 -1.111 0.000 2.286 236 K HA -0.139 4.181 4.320 -0.000 0.000 0.203 236 K C 1.542 177.873 176.600 -0.447 0.000 1.045 236 K CA 1.919 57.707 56.287 -0.832 0.000 0.935 236 K CB -0.341 31.543 32.500 -1.027 0.000 0.737 236 K HN 0.472 nan 8.250 nan 0.000 0.460 237 I N -4.686 115.605 120.570 -0.465 0.000 3.241 237 I HA 0.299 4.469 4.170 -0.000 0.000 0.333 237 I C 0.898 176.942 176.117 -0.122 0.000 1.534 237 I CA -0.460 60.627 61.300 -0.356 0.000 0.979 237 I CB 0.809 38.350 38.000 -0.765 0.000 1.497 237 I HN -0.177 nan 8.210 nan 0.000 0.530 238 G N 0.902 109.600 108.800 -0.170 0.000 2.744 238 G HA2 0.411 4.371 3.960 -0.000 0.000 0.211 238 G HA3 0.411 4.371 3.960 -0.000 0.000 0.211 238 G C 0.941 176.048 174.900 0.344 0.000 1.143 238 G CA 0.596 45.696 45.100 -0.001 0.000 0.788 238 G HN 0.869 nan 8.290 nan 0.000 0.534 239 G N -0.626 108.333 108.800 0.266 0.000 2.498 239 G HA2 0.305 4.265 3.960 -0.000 0.000 0.245 239 G HA3 0.305 4.265 3.960 -0.000 0.000 0.245 239 G C 1.065 176.163 174.900 0.330 0.000 1.204 239 G CA 0.978 46.266 45.100 0.313 0.000 0.933 239 G HN 1.893 nan 8.290 nan 0.000 0.574 240 G N -2.232 106.773 108.800 0.342 0.000 2.157 240 G HA2 0.166 4.126 3.960 -0.000 0.000 0.248 240 G HA3 0.166 4.126 3.960 -0.000 0.000 0.248 240 G C 1.173 176.253 174.900 0.300 0.000 0.979 240 G CA 1.497 46.801 45.100 0.340 0.000 0.650 240 G HN 2.855 nan 8.290 nan 0.000 0.529 241 T N 0.163 114.891 114.554 0.291 0.000 2.939 241 T HA 0.353 4.703 4.350 -0.000 0.000 0.319 241 T C 0.307 175.166 174.700 0.266 0.000 1.082 241 T CA 0.500 62.749 62.100 0.248 0.000 1.133 241 T CB 1.012 70.042 68.868 0.271 0.000 1.019 241 T HN 1.063 nan 8.240 nan 0.000 0.548 242 N N 2.957 121.742 118.700 0.142 0.000 2.518 242 N HA 0.143 4.883 4.740 -0.000 0.000 0.254 242 N C 0.027 175.512 175.510 -0.041 0.000 0.979 242 N CA -1.112 51.938 53.050 -0.001 0.000 0.930 242 N CB 1.044 39.531 38.487 -0.000 0.000 1.152 242 N HN 1.037 nan 8.380 nan 0.000 0.505 243 W N 1.697 122.943 121.300 -0.091 0.000 2.684 243 W HA 0.448 5.107 4.660 -0.000 0.000 0.381 243 W C -0.035 176.326 176.519 -0.263 0.000 0.975 243 W CA -0.624 56.636 57.345 -0.142 0.000 1.789 243 W CB -0.646 28.774 29.460 -0.065 0.000 1.161 243 W HN 0.378 nan 8.180 nan 0.000 0.564 244 G N 1.571 109.960 108.800 -0.686 0.000 3.229 244 G HA2 0.361 4.321 3.960 -0.000 0.000 0.165 244 G HA3 0.361 4.321 3.960 -0.000 0.000 0.165 244 G C -1.214 173.168 174.900 -0.863 0.000 1.753 244 G CA -0.205 44.423 45.100 -0.786 0.000 1.054 244 G HN 0.131 nan 8.290 nan 0.000 0.544 245 W N -2.160 118.984 121.300 -0.261 0.000 2.850 245 W HA 0.713 5.373 4.660 -0.000 0.000 0.349 245 W C -1.169 175.109 176.519 -0.402 0.000 1.133 245 W CA -0.834 56.383 57.345 -0.212 0.000 1.117 245 W CB 1.087 30.559 29.460 0.020 0.000 1.442 245 W HN 0.325 nan 8.180 nan 0.000 0.575 246 Y N 0.308 120.615 120.300 0.013 0.000 2.659 246 Y HA 0.842 5.392 4.550 -0.000 0.000 0.333 246 Y C 0.175 176.062 175.900 -0.022 0.000 1.064 246 Y CA -1.734 56.295 58.100 -0.118 0.000 1.141 246 Y CB 1.577 39.728 38.460 -0.515 0.000 1.316 246 Y HN 0.471 nan 8.280 nan 0.000 0.509 247 A N 0.513 123.589 122.820 0.427 0.000 2.572 247 A HA 0.736 5.056 4.320 -0.000 0.000 0.295 247 A C -2.535 175.482 177.584 0.722 0.000 1.072 247 A CA -0.676 51.700 52.037 0.564 0.000 0.691 247 A CB 1.648 20.913 19.000 0.443 0.000 1.291 247 A HN 0.674 nan 8.150 nan 0.000 0.404 248 Y N 0.910 121.528 120.300 0.531 0.000 2.470 248 Y HA 0.611 5.161 4.550 -0.000 0.000 0.341 248 Y C -1.718 174.312 175.900 0.217 0.000 1.021 248 Y CA -1.079 57.182 58.100 0.268 0.000 1.025 248 Y CB 2.075 40.520 38.460 -0.024 0.000 1.266 248 Y HN 0.665 nan 8.280 nan 0.000 0.448 249 D N 7.288 127.368 120.400 -0.533 0.000 2.471 249 D HA 0.403 5.043 4.640 -0.000 0.000 0.245 249 D C -2.382 173.398 176.300 -0.867 0.000 1.116 249 D CA -2.521 51.228 54.000 -0.418 0.000 0.853 249 D CB 2.642 43.471 40.800 0.049 0.000 1.123 249 D HN 0.306 nan 8.370 nan 0.000 0.540 250 P HA -0.018 nan 4.420 nan 0.000 0.218 250 P C 1.303 178.492 177.300 -0.185 0.000 1.148 250 P CA 0.954 63.803 63.100 -0.419 0.000 0.822 250 P CB 0.370 32.004 31.700 -0.109 0.000 0.784 251 G N -0.443 108.278 108.800 -0.132 0.000 2.421 251 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 251 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 251 G C 1.485 176.366 174.900 -0.032 0.000 1.171 251 G CA 1.759 46.831 45.100 -0.047 0.000 0.775 251 G HN 0.384 nan 8.290 nan 0.000 0.543 252 T N -2.836 111.693 114.554 -0.041 0.000 3.044 252 T HA 0.103 4.453 4.350 -0.000 0.000 0.250 252 T C 1.242 175.924 174.700 -0.031 0.000 1.081 252 T CA 0.780 62.883 62.100 0.006 0.000 1.040 252 T CB -0.138 68.788 68.868 0.097 0.000 0.962 252 T HN 0.349 nan 8.240 nan 0.000 0.506 253 N N 0.029 118.665 118.700 -0.106 0.000 2.741 253 N HA -0.137 4.603 4.740 -0.000 0.000 0.251 253 N C -0.869 174.693 175.510 0.086 0.000 1.112 253 N CA 0.431 53.495 53.050 0.022 0.000 0.750 253 N CB -2.010 36.523 38.487 0.076 0.000 1.119 253 N HN 0.647 nan 8.380 nan 0.000 0.561 254 L N 0.313 121.470 121.223 -0.110 0.000 2.325 254 L HA 0.523 4.863 4.340 -0.000 0.000 0.279 254 L C 0.415 177.083 176.870 -0.337 0.000 1.054 254 L CA -1.038 53.638 54.840 -0.274 0.000 0.804 254 L CB 1.075 42.842 42.059 -0.486 0.000 1.200 254 L HN 0.107 nan 8.230 nan 0.000 0.436 255 I N 2.720 123.181 120.570 -0.180 0.000 2.331 255 I HA 0.281 4.451 4.170 -0.000 0.000 0.292 255 I C -0.963 175.124 176.117 -0.050 0.000 0.998 255 I CA 0.024 61.370 61.300 0.075 0.000 1.267 255 I CB 0.666 38.810 38.000 0.239 0.000 1.386 255 I HN 0.192 nan 8.210 nan 0.000 0.476 256 Y N 8.424 128.964 120.300 0.400 0.000 2.335 256 Y HA 0.649 5.199 4.550 -0.000 0.000 0.338 256 Y C -0.319 175.794 175.900 0.355 0.000 0.977 256 Y CA -0.736 57.522 58.100 0.264 0.000 1.114 256 Y CB 1.038 39.603 38.460 0.174 0.000 1.182 256 Y HN 0.473 nan 8.280 nan 0.000 0.463 257 F N -0.622 119.458 119.950 0.217 0.000 2.773 257 F HA 0.919 5.445 4.527 -0.000 0.000 0.314 257 F C -0.767 175.079 175.800 0.076 0.000 1.160 257 F CA -1.701 56.325 58.000 0.043 0.000 0.920 257 F CB 1.086 40.068 39.000 -0.031 0.000 1.323 257 F HN 0.585 nan 8.300 nan 0.000 0.457 258 G N 0.266 109.109 108.800 0.072 0.000 2.495 258 G HA2 0.577 4.537 3.960 -0.000 0.000 0.318 258 G HA3 0.577 4.537 3.960 -0.000 0.000 0.318 258 G C -1.085 173.928 174.900 0.188 0.000 1.257 258 G CA -0.558 44.590 45.100 0.081 0.000 0.962 258 G HN 0.980 nan 8.290 nan 0.000 0.483 259 T N -0.607 114.083 114.554 0.227 0.000 2.899 259 T HA 0.688 5.038 4.350 -0.000 0.000 0.284 259 T C 0.932 175.750 174.700 0.196 0.000 1.004 259 T CA 0.017 62.278 62.100 0.268 0.000 1.043 259 T CB 1.719 70.810 68.868 0.373 0.000 1.013 259 T HN 0.748 nan 8.240 nan 0.000 0.518 260 G N 1.111 110.044 108.800 0.223 0.000 2.543 260 G HA2 0.372 4.332 3.960 -0.000 0.000 0.290 260 G HA3 0.372 4.332 3.960 -0.000 0.000 0.290 260 G C 0.140 175.206 174.900 0.277 0.000 1.310 260 G CA -1.111 44.147 45.100 0.263 0.000 1.025 260 G HN 1.059 nan 8.290 nan 0.000 0.502 261 N N 0.959 119.828 118.700 0.282 0.000 2.441 261 N HA 0.112 4.852 4.740 -0.000 0.000 0.251 261 N C -2.572 173.090 175.510 0.253 0.000 1.242 261 N CA -0.678 52.500 53.050 0.212 0.000 0.898 261 N CB 1.264 39.836 38.487 0.141 0.000 1.100 261 N HN 0.183 nan 8.380 nan 0.000 0.443 262 P HA 0.247 nan 4.420 nan 0.000 0.276 262 P C -1.155 176.336 177.300 0.319 0.000 1.252 262 P CA -0.476 62.817 63.100 0.322 0.000 0.802 262 P CB 1.003 32.836 31.700 0.221 0.000 1.035 263 A N 2.242 125.318 122.820 0.427 0.000 2.355 263 A HA 0.767 5.087 4.320 -0.000 0.000 0.324 263 A C -2.400 175.421 177.584 0.394 0.000 1.117 263 A CA -1.941 50.343 52.037 0.411 0.000 0.785 263 A CB 0.913 20.222 19.000 0.515 0.000 1.254 263 A HN 0.402 nan 8.150 nan 0.000 0.453 264 P HA 0.191 nan 4.420 nan 0.000 0.317 264 P C 0.003 177.379 177.300 0.126 0.000 1.307 264 P CA -0.355 62.632 63.100 -0.189 0.000 0.749 264 P CB 0.513 31.561 31.700 -1.086 0.000 1.377 265 W N -1.229 119.966 121.300 -0.175 0.000 2.467 265 W HA 0.039 4.699 4.660 -0.000 0.000 0.275 265 W C 1.195 177.719 176.519 0.009 0.000 1.239 265 W CA 0.438 57.782 57.345 -0.001 0.000 1.266 265 W CB -1.710 27.746 29.460 -0.007 0.000 1.112 265 W HN 0.259 nan 8.180 nan 0.000 0.576 266 N N 2.310 121.042 118.700 0.053 0.000 2.399 266 N HA -0.117 4.623 4.740 -0.000 0.000 0.284 266 N C 1.443 176.944 175.510 -0.016 0.000 1.283 266 N CA 0.469 53.512 53.050 -0.011 0.000 0.972 266 N CB 0.377 38.771 38.487 -0.156 0.000 1.328 266 N HN 0.151 nan 8.380 nan 0.000 0.486 267 E N 2.872 123.053 120.200 -0.031 0.000 2.114 267 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 267 E C 0.502 177.102 176.600 -0.000 0.000 1.008 267 E CA 1.666 57.975 56.400 -0.152 0.000 0.810 267 E CB -0.056 29.500 29.700 -0.240 0.000 0.739 267 E HN 0.574 nan 8.360 nan 0.000 0.456 268 T N 0.903 115.475 114.554 0.031 0.000 2.881 268 T HA -0.089 4.261 4.350 -0.000 0.000 0.270 268 T C 1.819 176.557 174.700 0.064 0.000 1.068 268 T CA 1.542 63.675 62.100 0.054 0.000 1.131 268 T CB -0.174 68.724 68.868 0.050 0.000 0.871 268 T HN 0.249 nan 8.240 nan 0.000 0.479 269 M N 0.291 119.925 119.600 0.058 0.000 2.595 269 M HA 0.145 4.625 4.480 -0.000 0.000 0.248 269 M C 0.933 177.312 176.300 0.132 0.000 1.119 269 M CA 0.767 56.123 55.300 0.092 0.000 1.079 269 M CB 0.214 32.867 32.600 0.089 0.000 1.472 269 M HN -0.073 nan 8.290 nan 0.000 0.501 270 R N 1.042 121.606 120.500 0.107 0.000 2.997 270 R HA 0.255 4.595 4.340 -0.000 0.000 0.358 270 R C -2.470 173.886 176.300 0.093 0.000 1.191 270 R CA -1.493 54.659 56.100 0.087 0.000 1.113 270 R CB -0.197 30.063 30.300 -0.066 0.000 1.433 270 R HN 0.054 nan 8.270 nan 0.000 0.584 271 P HA 0.011 nan 4.420 nan 0.000 0.262 271 P C 0.318 177.551 177.300 -0.112 0.000 1.182 271 P CA 1.055 64.130 63.100 -0.041 0.000 0.761 271 P CB 1.040 32.723 31.700 -0.029 0.000 0.795 272 G N 3.056 111.706 108.800 -0.250 0.000 2.392 272 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.677 272 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.677 272 G C 0.022 174.785 174.900 -0.229 0.000 1.334 272 G CA -0.523 44.435 45.100 -0.237 0.000 0.961 272 G HN 0.333 nan 8.290 nan 0.000 0.616 273 D N 0.227 120.479 120.400 -0.247 0.000 2.350 273 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 273 D C 1.519 177.616 176.300 -0.338 0.000 0.968 273 D CA 1.015 54.882 54.000 -0.221 0.000 0.894 273 D CB -0.363 40.303 40.800 -0.222 0.000 0.909 273 D HN 0.707 nan 8.370 nan 0.000 0.520 274 N N 0.325 118.632 118.700 -0.655 0.000 2.707 274 N HA -0.236 4.504 4.740 -0.000 0.000 0.253 274 N C -0.525 174.872 175.510 -0.190 0.000 0.998 274 N CA 0.177 52.721 53.050 -0.844 0.000 0.751 274 N CB -0.823 37.161 38.487 -0.837 0.000 0.920 274 N HN 0.016 nan 8.380 nan 0.000 0.539 275 K N -0.263 119.956 120.400 -0.301 0.000 2.511 275 K HA -0.128 4.192 4.320 -0.000 0.000 0.277 275 K C 0.143 176.861 176.600 0.196 0.000 1.025 275 K CA 0.967 56.956 56.287 -0.496 0.000 1.112 275 K CB 0.037 31.881 32.500 -1.094 0.000 0.859 275 K HN 0.460 nan 8.250 nan 0.000 0.485 276 W N 1.183 122.730 121.300 0.413 0.000 2.304 276 W HA 0.035 4.695 4.660 -0.000 0.000 0.326 276 W C 0.303 177.010 176.519 0.312 0.000 0.920 276 W CA -0.245 57.294 57.345 0.323 0.000 1.518 276 W CB 0.308 30.015 29.460 0.412 0.000 1.112 276 W HN 0.642 nan 8.180 nan 0.000 0.528 277 T N -0.791 114.071 114.554 0.514 0.000 2.716 277 T HA -0.062 4.288 4.350 -0.000 0.000 0.335 277 T C 1.125 175.986 174.700 0.269 0.000 1.081 277 T CA 0.218 62.549 62.100 0.386 0.000 1.073 277 T CB 0.449 69.530 68.868 0.356 0.000 0.993 277 T HN 0.136 nan 8.240 nan 0.000 0.547 278 M N -0.555 119.173 119.600 0.214 0.000 2.302 278 M HA -0.145 4.335 4.480 -0.000 0.000 0.200 278 M C -0.029 176.303 176.300 0.054 0.000 0.366 278 M CA 0.828 56.200 55.300 0.120 0.000 0.440 278 M CB -3.314 29.341 32.600 0.092 0.000 1.475 278 M HN 0.934 nan 8.290 nan 0.000 0.905 279 T N 0.241 114.869 114.554 0.123 0.000 2.893 279 T HA 0.732 5.082 4.350 -0.000 0.000 0.293 279 T C 0.403 175.096 174.700 -0.011 0.000 1.027 279 T CA -0.658 61.456 62.100 0.023 0.000 0.988 279 T CB 2.359 71.333 68.868 0.176 0.000 1.043 279 T HN 0.262 nan 8.240 nan 0.000 0.461 280 I N 3.008 123.529 120.570 -0.082 0.000 2.396 280 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 280 I C -0.651 175.366 176.117 -0.167 0.000 1.056 280 I CA -0.160 61.130 61.300 -0.015 0.000 1.365 280 I CB 0.306 38.390 38.000 0.140 0.000 1.407 280 I HN 0.451 nan 8.210 nan 0.000 0.509 281 F N 3.360 123.090 119.950 -0.365 0.000 2.507 281 F HA 0.652 5.179 4.527 -0.000 0.000 0.327 281 F C 0.725 176.168 175.800 -0.596 0.000 1.068 281 F CA -0.549 57.133 58.000 -0.529 0.000 0.965 281 F CB 2.120 40.581 39.000 -0.898 0.000 1.192 281 F HN 0.338 nan 8.300 nan 0.000 0.476 282 G N 3.024 111.471 108.800 -0.587 0.000 2.814 282 G HA2 0.573 4.533 3.960 -0.000 0.000 0.300 282 G HA3 0.573 4.533 3.960 -0.000 0.000 0.300 282 G C -1.036 173.648 174.900 -0.359 0.000 1.406 282 G CA -0.628 43.985 45.100 -0.812 0.000 1.041 282 G HN 0.520 nan 8.290 nan 0.000 0.532 283 R N 1.265 121.659 120.500 -0.178 0.000 2.664 283 R HA 0.297 4.636 4.340 -0.000 0.000 0.286 283 R C -1.084 175.119 176.300 -0.161 0.000 0.967 283 R CA -0.873 55.146 56.100 -0.135 0.000 0.933 283 R CB 2.292 32.568 30.300 -0.040 0.000 1.146 283 R HN 0.568 nan 8.270 nan 0.000 0.468 284 D N 1.336 121.607 120.400 -0.215 0.000 2.371 284 D HA 0.118 4.758 4.640 -0.000 0.000 0.256 284 D C 1.089 177.303 176.300 -0.142 0.000 1.193 284 D CA 0.152 54.059 54.000 -0.154 0.000 0.881 284 D CB 1.313 42.014 40.800 -0.166 0.000 1.143 284 D HN 0.577 nan 8.370 nan 0.000 0.473 285 A N 4.246 127.080 122.820 0.024 0.000 1.903 285 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 285 A C 1.728 179.430 177.584 0.198 0.000 1.191 285 A CA 1.909 54.012 52.037 0.110 0.000 0.638 285 A CB -0.397 18.622 19.000 0.031 0.000 0.823 285 A HN 0.790 nan 8.150 nan 0.000 0.451 286 D N -2.115 118.336 120.400 0.085 0.000 2.162 286 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 286 D C 1.957 178.277 176.300 0.033 0.000 0.964 286 D CA 1.739 55.809 54.000 0.117 0.000 0.847 286 D CB -0.322 40.508 40.800 0.051 0.000 0.988 286 D HN 0.464 nan 8.370 nan 0.000 0.480 287 T N -1.239 113.190 114.554 -0.207 0.000 3.009 287 T HA 0.174 4.524 4.350 -0.000 0.000 0.258 287 T C 1.528 175.664 174.700 -0.941 0.000 1.063 287 T CA 1.639 63.522 62.100 -0.363 0.000 1.139 287 T CB 0.055 68.779 68.868 -0.239 0.000 0.890 287 T HN 0.348 nan 8.240 nan 0.000 0.471 288 G N 1.066 109.036 108.800 -1.384 0.000 2.241 288 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.244 288 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.244 288 G C -0.068 174.227 174.900 -1.007 0.000 0.998 288 G CA 0.231 43.992 45.100 -2.231 0.000 0.621 288 G HN 0.615 nan 8.290 nan 0.000 0.519 289 E N 1.022 120.861 120.200 -0.601 0.000 2.442 289 E HA 0.444 4.794 4.350 -0.000 0.000 0.262 289 E C 0.664 177.103 176.600 -0.268 0.000 1.004 289 E CA 0.223 56.410 56.400 -0.354 0.000 0.928 289 E CB 0.757 30.317 29.700 -0.233 0.000 0.937 289 E HN 0.746 nan 8.360 nan 0.000 0.446 290 A N 3.219 125.913 122.820 -0.209 0.000 2.320 290 A HA 0.104 4.424 4.320 -0.000 0.000 0.287 290 A C 0.622 178.272 177.584 0.110 0.000 1.181 290 A CA -0.315 51.688 52.037 -0.056 0.000 0.831 290 A CB 0.552 19.552 19.000 -0.000 0.000 1.102 290 A HN 0.629 nan 8.150 nan 0.000 0.513 291 K N 0.884 121.333 120.400 0.082 0.000 2.352 291 K HA 0.194 4.514 4.320 -0.000 0.000 0.194 291 K C -0.768 176.006 176.600 0.290 0.000 1.038 291 K CA 0.644 57.036 56.287 0.175 0.000 1.023 291 K CB 0.203 32.754 32.500 0.085 0.000 0.840 291 K HN 0.790 nan 8.250 nan 0.000 0.519 292 F N -2.035 118.037 119.950 0.204 0.000 2.665 292 F HA 0.590 5.117 4.527 -0.000 0.000 0.308 292 F C -1.006 174.772 175.800 -0.037 0.000 1.112 292 F CA -1.366 56.606 58.000 -0.047 0.000 0.972 292 F CB 1.043 40.017 39.000 -0.042 0.000 1.295 292 F HN -0.159 nan 8.300 nan 0.000 0.440 293 G N 1.792 110.620 108.800 0.046 0.000 2.719 293 G HA2 0.473 4.433 3.960 -0.000 0.000 0.284 293 G HA3 0.473 4.433 3.960 -0.000 0.000 0.284 293 G C -2.855 172.024 174.900 -0.034 0.000 1.488 293 G CA -0.752 44.166 45.100 -0.305 0.000 1.139 293 G HN 0.990 nan 8.290 nan 0.000 0.552 294 Y N 2.406 122.583 120.300 -0.205 0.000 2.334 294 Y HA 0.571 5.121 4.550 -0.000 0.000 0.336 294 Y C 0.222 175.953 175.900 -0.281 0.000 0.960 294 Y CA -1.007 56.818 58.100 -0.458 0.000 1.164 294 Y CB 1.809 39.860 38.460 -0.681 0.000 1.155 294 Y HN 0.545 nan 8.280 nan 0.000 0.478 295 Q N 6.088 125.448 119.800 -0.732 0.000 2.307 295 Q HA 0.194 4.534 4.340 -0.000 0.000 0.259 295 Q C 0.132 175.549 176.000 -0.972 0.000 0.998 295 Q CA -0.144 55.322 55.803 -0.563 0.000 0.923 295 Q CB 1.054 29.622 28.738 -0.284 0.000 1.196 295 Q HN 0.925 nan 8.270 nan 0.000 0.416 296 K N 1.679 121.657 120.400 -0.703 0.000 2.062 296 K HA 0.017 4.336 4.320 -0.000 0.000 0.205 296 K C 0.024 176.489 176.600 -0.226 0.000 1.051 296 K CA 1.145 57.071 56.287 -0.602 0.000 0.941 296 K CB 0.488 32.645 32.500 -0.571 0.000 0.719 296 K HN 0.469 nan 8.250 nan 0.000 0.440 297 T N 2.906 117.414 114.554 -0.077 0.000 3.241 297 T HA 0.268 4.618 4.350 -0.000 0.000 0.387 297 T C -2.734 172.012 174.700 0.077 0.000 1.451 297 T CA -1.555 60.632 62.100 0.145 0.000 1.363 297 T CB 1.480 70.558 68.868 0.349 0.000 1.074 297 T HN -0.150 nan 8.240 nan 0.000 0.598 298 P HA 0.082 nan 4.420 nan 0.000 0.265 298 P C 0.093 177.423 177.300 0.049 0.000 1.193 298 P CA 0.211 63.293 63.100 -0.031 0.000 0.765 298 P CB 0.041 31.707 31.700 -0.057 0.000 0.823 299 H N 0.587 119.560 119.070 -0.162 0.000 2.514 299 H HA -0.264 4.292 4.556 -0.000 0.000 0.318 299 H C -0.161 175.036 175.328 -0.219 0.000 0.994 299 H CA 0.268 56.184 56.048 -0.220 0.000 1.056 299 H CB -1.300 28.331 29.762 -0.219 0.000 1.621 299 H HN 0.352 nan 8.280 nan 0.000 0.360 300 D N 2.188 122.381 120.400 -0.345 0.000 2.472 300 D HA 0.042 4.682 4.640 -0.000 0.000 0.237 300 D C 0.766 176.580 176.300 -0.809 0.000 1.141 300 D CA 0.905 54.681 54.000 -0.374 0.000 0.875 300 D CB 0.557 41.250 40.800 -0.179 0.000 1.192 300 D HN 0.785 nan 8.370 nan 0.000 0.450 301 E N 2.838 122.247 120.200 -1.318 0.000 3.254 301 E HA 0.156 4.506 4.350 -0.000 0.000 0.184 301 E C -0.257 175.113 176.600 -2.049 0.000 0.967 301 E CA -0.515 54.960 56.400 -1.542 0.000 1.311 301 E CB 0.000 28.762 29.700 -1.564 0.000 1.071 301 E HN 0.557 nan 8.360 nan 0.000 0.456 302 W N 0.672 121.333 121.300 -1.067 0.000 1.857 302 W HA 0.279 4.939 4.660 -0.000 0.000 0.244 302 W C 0.343 176.320 176.519 -0.903 0.000 0.859 302 W CA -0.329 56.189 57.345 -1.378 0.000 1.112 302 W CB 0.618 28.998 29.460 -1.801 0.000 0.967 302 W HN 0.129 nan 8.180 nan 0.000 0.524 303 E N 0.982 120.882 120.200 -0.499 0.000 2.442 303 E HA -0.214 4.136 4.350 -0.000 0.000 0.256 303 E C -0.884 175.722 176.600 0.010 0.000 1.095 303 E CA 0.461 56.648 56.400 -0.355 0.000 0.747 303 E CB -1.591 27.662 29.700 -0.745 0.000 1.310 303 E HN 0.176 nan 8.360 nan 0.000 0.396 304 Y N -0.406 119.943 120.300 0.080 0.000 2.971 304 Y HA 0.323 4.873 4.550 -0.000 0.000 0.384 304 Y C 1.148 177.119 175.900 0.117 0.000 1.166 304 Y CA -0.237 57.926 58.100 0.106 0.000 1.973 304 Y CB -0.622 37.899 38.460 0.101 0.000 2.082 304 Y HN 0.249 nan 8.280 nan 0.000 0.420 305 A N 0.610 123.616 122.820 0.310 0.000 2.567 305 A HA 0.153 4.472 4.320 -0.000 0.000 0.263 305 A C 1.492 179.180 177.584 0.173 0.000 1.030 305 A CA 0.855 53.063 52.037 0.286 0.000 0.833 305 A CB -0.301 18.986 19.000 0.479 0.000 0.924 305 A HN 0.743 nan 8.150 nan 0.000 0.518 306 G N 1.923 110.795 108.800 0.120 0.000 3.581 306 G HA2 0.364 4.323 3.960 -0.000 0.000 0.255 306 G HA3 0.364 4.323 3.960 -0.000 0.000 0.255 306 G C 0.662 175.588 174.900 0.043 0.000 1.121 306 G CA 0.469 45.600 45.100 0.050 0.000 1.739 306 G HN 1.587 nan 8.290 nan 0.000 0.646 307 V N -3.022 116.829 119.914 -0.106 0.000 3.621 307 V HA 0.227 4.346 4.120 -0.000 0.000 0.285 307 V C 0.638 176.630 176.094 -0.168 0.000 1.346 307 V CA -1.012 61.118 62.300 -0.283 0.000 1.104 307 V CB -0.800 30.464 31.823 -0.933 0.000 0.913 307 V HN 0.136 nan 8.190 nan 0.000 0.432 308 N N 1.412 120.155 118.700 0.072 0.000 2.273 308 N HA 0.074 4.814 4.740 -0.000 0.000 0.227 308 N C 0.048 175.635 175.510 0.129 0.000 1.292 308 N CA 0.400 53.556 53.050 0.176 0.000 0.875 308 N CB 0.538 39.120 38.487 0.158 0.000 1.105 308 N HN 0.265 nan 8.380 nan 0.000 0.434 309 V N 1.745 121.741 119.914 0.138 0.000 2.953 309 V HA -0.076 4.044 4.120 -0.000 0.000 0.304 309 V C 0.021 175.962 176.094 -0.255 0.000 1.138 309 V CA 0.500 62.773 62.300 -0.046 0.000 1.266 309 V CB 0.079 31.696 31.823 -0.344 0.000 0.923 309 V HN 0.422 nan 8.190 nan 0.000 0.505 310 M N 7.719 127.191 119.600 -0.214 0.000 2.243 310 M HA 0.515 4.995 4.480 -0.000 0.000 0.324 310 M C -0.742 175.508 176.300 -0.084 0.000 1.031 310 M CA -0.046 55.136 55.300 -0.196 0.000 0.949 310 M CB 1.403 33.960 32.600 -0.073 0.000 1.615 310 M HN 0.564 nan 8.290 nan 0.000 0.430 311 M N 4.866 124.419 119.600 -0.079 0.000 2.142 311 M HA 0.541 5.021 4.480 -0.000 0.000 0.299 311 M C -0.783 175.522 176.300 0.009 0.000 0.960 311 M CA -0.435 54.885 55.300 0.033 0.000 0.920 311 M CB 2.062 34.748 32.600 0.143 0.000 1.541 311 M HN 0.502 nan 8.290 nan 0.000 0.429 312 L N 2.156 123.394 121.223 0.026 0.000 2.421 312 L HA 0.796 5.136 4.340 -0.000 0.000 0.263 312 L C 0.400 177.216 176.870 -0.089 0.000 1.122 312 L CA -0.362 54.456 54.840 -0.037 0.000 0.804 312 L CB 1.396 43.464 42.059 0.015 0.000 1.150 312 L HN 0.896 nan 8.230 nan 0.000 0.457 313 S N 0.058 115.683 115.700 -0.124 0.000 2.636 313 S HA 0.470 4.940 4.470 -0.000 0.000 0.266 313 S C -1.407 173.147 174.600 -0.077 0.000 1.147 313 S CA -1.118 56.989 58.200 -0.155 0.000 0.815 313 S CB 1.930 64.831 63.200 -0.499 0.000 1.119 313 S HN 0.615 nan 8.310 nan 0.000 0.470 314 E N 0.552 120.732 120.200 -0.033 0.000 2.244 314 E HA 0.526 4.876 4.350 -0.000 0.000 0.260 314 E C -1.181 175.411 176.600 -0.015 0.000 0.884 314 E CA -0.502 55.885 56.400 -0.023 0.000 0.777 314 E CB 2.008 31.704 29.700 -0.007 0.000 1.197 314 E HN 0.569 nan 8.360 nan 0.000 0.416 315 Q N 1.351 121.134 119.800 -0.028 0.000 2.553 315 Q HA 0.437 4.777 4.340 -0.000 0.000 0.293 315 Q C -0.983 174.995 176.000 -0.036 0.000 1.038 315 Q CA -1.053 54.734 55.803 -0.027 0.000 0.777 315 Q CB 2.579 31.302 28.738 -0.025 0.000 1.487 315 Q HN 0.176 nan 8.270 nan 0.000 0.426 316 K N 1.691 122.068 120.400 -0.038 0.000 2.201 316 K HA 0.162 4.482 4.320 -0.000 0.000 0.278 316 K C -0.769 175.802 176.600 -0.049 0.000 1.027 316 K CA -0.451 55.812 56.287 -0.041 0.000 0.909 316 K CB 0.660 33.138 32.500 -0.037 0.000 1.062 316 K HN 0.512 nan 8.250 nan 0.000 0.465 317 D N 1.661 122.031 120.400 -0.051 0.000 2.447 317 D HA 0.030 4.669 4.640 -0.000 0.000 0.265 317 D C 0.637 176.905 176.300 -0.053 0.000 1.250 317 D CA -0.343 53.623 54.000 -0.057 0.000 1.046 317 D CB 0.572 41.337 40.800 -0.058 0.000 1.095 317 D HN 0.180 nan 8.370 nan 0.000 0.555 318 K N -0.908 119.459 120.400 -0.054 0.000 2.360 318 K HA -0.094 4.226 4.320 -0.000 0.000 0.201 318 K C 0.259 176.834 176.600 -0.042 0.000 1.046 318 K CA 0.905 57.163 56.287 -0.049 0.000 0.945 318 K CB -0.104 32.367 32.500 -0.049 0.000 0.750 318 K HN 0.399 nan 8.250 nan 0.000 0.464 319 D N -0.452 119.923 120.400 -0.041 0.000 2.340 319 D HA 0.043 4.683 4.640 -0.000 0.000 0.220 319 D C 1.072 177.352 176.300 -0.034 0.000 1.039 319 D CA 0.537 54.516 54.000 -0.036 0.000 0.866 319 D CB 0.540 41.318 40.800 -0.037 0.000 0.913 319 D HN 0.346 nan 8.370 nan 0.000 0.523 320 G N 1.025 109.804 108.800 -0.035 0.000 2.179 320 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 320 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 320 G C 0.489 175.370 174.900 -0.031 0.000 0.977 320 G CA -0.026 45.055 45.100 -0.032 0.000 0.641 320 G HN 0.340 nan 8.290 nan 0.000 0.533 321 K N 1.074 121.454 120.400 -0.034 0.000 2.412 321 K HA 0.547 4.867 4.320 -0.000 0.000 0.281 321 K C 0.883 177.463 176.600 -0.034 0.000 1.027 321 K CA 0.312 56.579 56.287 -0.034 0.000 0.989 321 K CB 0.500 32.977 32.500 -0.038 0.000 0.935 321 K HN 0.520 nan 8.250 nan 0.000 0.475 322 A N 5.077 127.879 122.820 -0.030 0.000 2.362 322 A HA 0.284 4.604 4.320 -0.000 0.000 0.276 322 A C -0.439 177.125 177.584 -0.034 0.000 1.153 322 A CA -0.366 51.654 52.037 -0.029 0.000 0.813 322 A CB 0.390 19.377 19.000 -0.022 0.000 1.081 322 A HN 0.621 nan 8.150 nan 0.000 0.507 323 R N 2.140 122.616 120.500 -0.039 0.000 2.686 323 R HA 0.377 4.717 4.340 -0.000 0.000 0.286 323 R C -1.071 175.201 176.300 -0.048 0.000 0.969 323 R CA -0.665 55.406 56.100 -0.048 0.000 0.898 323 R CB 1.771 32.035 30.300 -0.061 0.000 1.183 323 R HN 0.713 nan 8.270 nan 0.000 0.456 324 K N 3.344 123.715 120.400 -0.049 0.000 2.263 324 K HA 0.386 4.706 4.320 -0.000 0.000 0.282 324 K C -0.033 176.516 176.600 -0.084 0.000 1.089 324 K CA -0.153 56.104 56.287 -0.050 0.000 0.907 324 K CB 0.679 33.163 32.500 -0.027 0.000 1.148 324 K HN 0.303 nan 8.250 nan 0.000 0.470 325 L N 2.993 124.156 121.223 -0.099 0.000 2.347 325 L HA 0.634 4.974 4.340 -0.000 0.000 0.268 325 L C -0.631 176.137 176.870 -0.170 0.000 1.019 325 L CA -1.572 53.190 54.840 -0.130 0.000 0.806 325 L CB 0.786 42.782 42.059 -0.106 0.000 1.339 325 L HN 0.392 nan 8.230 nan 0.000 0.463 326 L N -1.611 119.500 121.223 -0.187 0.000 2.505 326 L HA 0.666 5.006 4.340 -0.000 0.000 0.266 326 L C -0.831 175.933 176.870 -0.176 0.000 0.954 326 L CA -0.131 54.585 54.840 -0.206 0.000 0.852 326 L CB 1.672 43.548 42.059 -0.304 0.000 1.282 326 L HN 0.358 nan 8.230 nan 0.000 0.403 327 T N 2.202 116.620 114.554 -0.225 0.000 2.824 327 T HA 0.463 4.813 4.350 -0.000 0.000 0.280 327 T C -1.129 173.445 174.700 -0.211 0.000 0.995 327 T CA -0.105 61.794 62.100 -0.334 0.000 1.009 327 T CB 0.640 68.968 68.868 -0.900 0.000 0.955 327 T HN 0.782 nan 8.240 nan 0.000 0.452 328 H N 3.891 122.820 119.070 -0.235 0.000 2.917 328 H HA 0.282 4.837 4.556 -0.000 0.000 0.279 328 H C -2.637 172.593 175.328 -0.163 0.000 1.211 328 H CA -2.362 53.591 56.048 -0.158 0.000 1.534 328 H CB 1.346 31.075 29.762 -0.054 0.000 1.581 328 H HN 0.285 nan 8.280 nan 0.000 0.510 329 P HA 0.054 nan 4.420 nan 0.000 0.273 329 P C -0.343 176.764 177.300 -0.321 0.000 1.428 329 P CA -0.141 62.770 63.100 -0.315 0.000 0.995 329 P CB 0.868 32.247 31.700 -0.534 0.000 1.286 330 D N 2.319 122.566 120.400 -0.256 0.000 2.377 330 D HA 0.100 4.740 4.640 -0.000 0.000 0.245 330 D C 1.701 177.935 176.300 -0.109 0.000 1.196 330 D CA -0.432 53.424 54.000 -0.240 0.000 0.962 330 D CB 0.946 41.641 40.800 -0.175 0.000 1.127 330 D HN 0.062 nan 8.370 nan 0.000 0.471 331 R N 0.886 121.343 120.500 -0.072 0.000 2.115 331 R HA -0.121 4.219 4.340 -0.000 0.000 0.230 331 R C 1.243 177.262 176.300 -0.469 0.000 1.111 331 R CA 0.890 56.949 56.100 -0.069 0.000 0.976 331 R CB -0.605 29.763 30.300 0.113 0.000 0.870 331 R HN 0.536 nan 8.270 nan 0.000 0.445 332 N N -0.151 118.212 118.700 -0.562 0.000 2.609 332 N HA -0.056 4.684 4.740 -0.000 0.000 0.190 332 N C 0.963 176.055 175.510 -0.696 0.000 1.157 332 N CA 1.157 53.565 53.050 -1.070 0.000 0.918 332 N CB -0.080 38.257 38.487 -0.250 0.000 0.978 332 N HN 0.276 nan 8.380 nan 0.000 0.448 333 G N -1.121 107.434 108.800 -0.409 0.000 2.157 333 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.239 333 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.239 333 G C -0.490 174.314 174.900 -0.159 0.000 0.982 333 G CA 0.175 45.121 45.100 -0.257 0.000 0.650 333 G HN 0.281 nan 8.290 nan 0.000 0.527 334 I N 0.985 121.454 120.570 -0.168 0.000 2.474 334 I HA 0.469 4.639 4.170 -0.000 0.000 0.294 334 I C 0.375 176.284 176.117 -0.346 0.000 1.005 334 I CA -1.340 59.779 61.300 -0.302 0.000 1.113 334 I CB 1.796 39.495 38.000 -0.502 0.000 1.289 334 I HN -0.142 nan 8.210 nan 0.000 0.436 335 V N 7.660 127.340 119.914 -0.390 0.000 2.320 335 V HA 0.218 4.338 4.120 -0.000 0.000 0.265 335 V C -0.391 175.516 176.094 -0.313 0.000 1.048 335 V CA -0.476 61.621 62.300 -0.339 0.000 0.865 335 V CB -0.136 31.385 31.823 -0.503 0.000 1.043 335 V HN 0.394 nan 8.190 nan 0.000 0.474 336 Y N 2.490 122.688 120.300 -0.170 0.000 2.304 336 Y HA 0.496 5.046 4.550 -0.000 0.000 0.327 336 Y C 1.004 176.825 175.900 -0.132 0.000 1.209 336 Y CA -0.281 57.741 58.100 -0.130 0.000 1.299 336 Y CB 1.241 39.644 38.460 -0.095 0.000 1.249 336 Y HN 0.461 nan 8.280 nan 0.000 0.519 337 T N 4.962 119.513 114.554 -0.004 0.000 3.066 337 T HA 0.533 4.883 4.350 -0.000 0.000 0.318 337 T C -0.775 173.862 174.700 -0.105 0.000 0.979 337 T CA -0.729 61.324 62.100 -0.078 0.000 1.025 337 T CB 0.103 68.909 68.868 -0.102 0.000 1.002 337 T HN 0.376 nan 8.240 nan 0.000 0.453 338 L N 1.298 122.444 121.223 -0.130 0.000 2.303 338 L HA 0.664 5.004 4.340 -0.000 0.000 0.266 338 L C 0.099 176.849 176.870 -0.201 0.000 1.011 338 L CA -1.328 53.398 54.840 -0.189 0.000 0.818 338 L CB 1.143 43.055 42.059 -0.244 0.000 1.326 338 L HN 0.461 nan 8.230 nan 0.000 0.435 339 D N 1.367 121.632 120.400 -0.224 0.000 2.358 339 D HA 0.010 4.650 4.640 -0.000 0.000 0.258 339 D C 0.940 177.098 176.300 -0.235 0.000 1.223 339 D CA -0.278 53.605 54.000 -0.195 0.000 0.886 339 D CB 1.160 41.853 40.800 -0.177 0.000 1.120 339 D HN 0.603 nan 8.370 nan 0.000 0.482 340 R N 1.742 122.141 120.500 -0.168 0.000 2.339 340 R HA -0.051 4.289 4.340 -0.000 0.000 0.199 340 R C 1.121 177.534 176.300 0.188 0.000 1.018 340 R CA 1.102 57.140 56.100 -0.104 0.000 1.036 340 R CB -0.300 29.787 30.300 -0.354 0.000 0.899 340 R HN 0.376 nan 8.270 nan 0.000 0.473 341 T N -2.709 111.881 114.554 0.060 0.000 3.034 341 T HA 0.026 4.375 4.350 -0.000 0.000 0.248 341 T C 0.836 175.597 174.700 0.102 0.000 1.040 341 T CA 0.448 62.627 62.100 0.132 0.000 1.107 341 T CB 0.273 69.172 68.868 0.052 0.000 0.932 341 T HN 0.459 nan 8.240 nan 0.000 0.474 342 D N -0.435 119.898 120.400 -0.111 0.000 2.525 342 D HA 0.302 4.942 4.640 -0.000 0.000 0.231 342 D C 1.450 177.420 176.300 -0.551 0.000 1.216 342 D CA 0.311 54.206 54.000 -0.174 0.000 0.813 342 D CB -0.344 40.375 40.800 -0.135 0.000 1.108 342 D HN 0.547 nan 8.370 nan 0.000 0.524 343 G N 0.177 108.367 108.800 -1.017 0.000 2.137 343 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.237 343 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.237 343 G C 0.481 175.107 174.900 -0.456 0.000 1.002 343 G CA 0.012 44.361 45.100 -1.251 0.000 0.702 343 G HN 0.854 nan 8.290 nan 0.000 0.515 344 A N -0.183 122.431 122.820 -0.344 0.000 2.425 344 A HA 0.682 5.002 4.320 -0.000 0.000 0.249 344 A C 0.776 178.254 177.584 -0.178 0.000 1.084 344 A CA -0.159 51.760 52.037 -0.197 0.000 0.781 344 A CB 0.448 19.346 19.000 -0.169 0.000 1.019 344 A HN 0.913 nan 8.150 nan 0.000 0.490 345 L N 2.951 124.095 121.223 -0.132 0.000 2.410 345 L HA 0.144 4.483 4.340 -0.000 0.000 0.273 345 L C 0.809 177.603 176.870 -0.128 0.000 1.152 345 L CA -0.142 54.586 54.840 -0.187 0.000 0.855 345 L CB 1.139 43.085 42.059 -0.189 0.000 1.129 345 L HN 0.612 nan 8.230 nan 0.000 0.463 346 V N 0.828 120.666 119.914 -0.127 0.000 3.359 346 V HA 0.158 4.277 4.120 -0.000 0.000 0.245 346 V C 0.240 176.278 176.094 -0.094 0.000 1.247 346 V CA 0.760 62.998 62.300 -0.104 0.000 1.145 346 V CB 0.888 32.648 31.823 -0.105 0.000 0.906 346 V HN 0.870 nan 8.190 nan 0.000 0.464 347 S N -0.506 115.133 115.700 -0.101 0.000 2.586 347 S HA 0.774 5.244 4.470 -0.000 0.000 0.277 347 S C -1.091 173.426 174.600 -0.137 0.000 1.131 347 S CA 0.035 58.177 58.200 -0.098 0.000 0.848 347 S CB 1.869 65.023 63.200 -0.078 0.000 1.091 347 S HN 1.036 nan 8.310 nan 0.000 0.453 348 A N 2.544 125.258 122.820 -0.177 0.000 2.768 348 A HA 0.666 4.986 4.320 -0.000 0.000 0.298 348 A C -0.909 176.513 177.584 -0.270 0.000 1.159 348 A CA -0.742 51.085 52.037 -0.351 0.000 0.783 348 A CB 0.177 18.908 19.000 -0.450 0.000 1.333 348 A HN 0.692 nan 8.150 nan 0.000 0.412 349 N N 1.129 119.710 118.700 -0.199 0.000 2.459 349 N HA 0.382 5.121 4.740 -0.000 0.000 0.288 349 N C -0.600 174.828 175.510 -0.137 0.000 1.186 349 N CA -0.482 52.508 53.050 -0.100 0.000 0.917 349 N CB 1.142 39.661 38.487 0.054 0.000 1.219 349 N HN 0.530 nan 8.380 nan 0.000 0.525 350 K N 0.939 121.305 120.400 -0.058 0.000 2.270 350 K HA 0.203 4.523 4.320 -0.000 0.000 0.276 350 K C 1.193 177.780 176.600 -0.022 0.000 1.023 350 K CA -0.279 55.973 56.287 -0.058 0.000 0.955 350 K CB 1.071 33.551 32.500 -0.034 0.000 0.975 350 K HN 0.357 nan 8.250 nan 0.000 0.471 351 L N 0.923 122.125 121.223 -0.035 0.000 2.083 351 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 351 L C 0.660 177.453 176.870 -0.130 0.000 1.083 351 L CA 1.410 56.236 54.840 -0.023 0.000 0.752 351 L CB -0.069 42.017 42.059 0.046 0.000 0.899 351 L HN 0.732 nan 8.230 nan 0.000 0.433 352 D N -2.384 117.988 120.400 -0.047 0.000 2.661 352 D HA 0.084 4.724 4.640 -0.000 0.000 0.228 352 D C -0.159 176.125 176.300 -0.027 0.000 1.183 352 D CA -0.531 53.403 54.000 -0.110 0.000 0.844 352 D CB 1.371 42.128 40.800 -0.072 0.000 1.555 352 D HN 0.079 nan 8.370 nan 0.000 0.453 353 D N -0.294 120.072 120.400 -0.057 0.000 2.371 353 D HA -0.092 4.548 4.640 -0.000 0.000 0.221 353 D C 1.303 177.604 176.300 0.002 0.000 0.986 353 D CA 0.839 54.824 54.000 -0.025 0.000 0.899 353 D CB -0.249 40.532 40.800 -0.033 0.000 0.902 353 D HN 0.342 nan 8.370 nan 0.000 0.530 354 T N -2.440 112.146 114.554 0.054 0.000 3.148 354 T HA 0.090 4.440 4.350 -0.000 0.000 0.253 354 T C 0.862 175.563 174.700 0.002 0.000 1.134 354 T CA -0.422 61.714 62.100 0.060 0.000 1.051 354 T CB -0.489 68.467 68.868 0.147 0.000 0.959 354 T HN -0.031 nan 8.240 nan 0.000 0.525 355 V N 4.455 124.367 119.914 -0.003 0.000 2.540 355 V HA 0.131 4.250 4.120 -0.000 0.000 0.297 355 V C 1.075 177.017 176.094 -0.252 0.000 1.024 355 V CA 0.348 62.530 62.300 -0.196 0.000 1.105 355 V CB -0.014 31.699 31.823 -0.183 0.000 0.938 355 V HN 0.803 nan 8.190 nan 0.000 0.482 356 N N 3.785 122.234 118.700 -0.418 0.000 2.143 356 N HA -0.011 4.729 4.740 -0.000 0.000 0.222 356 N C 0.762 175.971 175.510 -0.501 0.000 1.264 356 N CA 0.243 53.010 53.050 -0.472 0.000 0.897 356 N CB 0.609 38.645 38.487 -0.752 0.000 1.092 356 N HN 0.331 nan 8.380 nan 0.000 0.516 357 V N -0.625 118.928 119.914 -0.601 0.000 2.667 357 V HA 0.263 4.383 4.120 -0.000 0.000 0.252 357 V C -0.718 175.018 176.094 -0.597 0.000 1.065 357 V CA 1.151 63.014 62.300 -0.728 0.000 1.083 357 V CB -0.405 30.631 31.823 -1.311 0.000 0.692 357 V HN 0.121 nan 8.190 nan 0.000 0.468 358 F N -0.184 119.634 119.950 -0.221 0.000 2.540 358 F HA 0.562 5.089 4.527 -0.000 0.000 0.317 358 F C 0.877 176.623 175.800 -0.090 0.000 1.104 358 F CA -1.504 56.420 58.000 -0.126 0.000 0.913 358 F CB 1.790 40.705 39.000 -0.141 0.000 1.170 358 F HN -0.282 nan 8.300 nan 0.000 0.450 359 K N 0.841 121.343 120.400 0.170 0.000 2.057 359 K HA 0.032 4.352 4.320 -0.000 0.000 0.206 359 K C 0.430 177.062 176.600 0.053 0.000 1.050 359 K CA 1.204 57.541 56.287 0.084 0.000 0.935 359 K CB 0.016 32.562 32.500 0.076 0.000 0.715 359 K HN 0.781 nan 8.250 nan 0.000 0.439 360 S N -1.843 113.884 115.700 0.045 0.000 2.669 360 S HA 0.285 4.755 4.470 -0.000 0.000 0.266 360 S C -1.197 173.354 174.600 -0.081 0.000 1.149 360 S CA -1.093 57.098 58.200 -0.016 0.000 0.842 360 S CB 1.471 64.660 63.200 -0.017 0.000 1.160 360 S HN -0.193 nan 8.310 nan 0.000 0.487 361 V N 2.235 122.085 119.914 -0.107 0.000 2.349 361 V HA 0.421 4.541 4.120 -0.000 0.000 0.284 361 V C -0.538 175.520 176.094 -0.062 0.000 1.014 361 V CA -0.566 61.658 62.300 -0.126 0.000 0.826 361 V CB 1.110 32.834 31.823 -0.165 0.000 1.009 361 V HN 0.938 nan 8.190 nan 0.000 0.431 362 D N 4.320 124.700 120.400 -0.034 0.000 2.389 362 D HA 0.055 4.695 4.640 -0.000 0.000 0.263 362 D C 1.095 177.407 176.300 0.019 0.000 1.255 362 D CA 0.221 54.219 54.000 -0.004 0.000 0.914 362 D CB 1.143 41.949 40.800 0.009 0.000 1.116 362 D HN 0.483 nan 8.370 nan 0.000 0.502 363 L N 3.449 124.673 121.223 0.002 0.000 2.275 363 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 363 L C 2.072 178.970 176.870 0.046 0.000 1.119 363 L CA 0.879 55.724 54.840 0.008 0.000 0.790 363 L CB -0.056 41.989 42.059 -0.024 0.000 0.919 363 L HN 0.247 nan 8.230 nan 0.000 0.443 364 K N -0.853 119.567 120.400 0.033 0.000 2.334 364 K HA -0.009 4.310 4.320 -0.000 0.000 0.195 364 K C 1.927 178.564 176.600 0.061 0.000 1.045 364 K CA 0.959 57.260 56.287 0.023 0.000 1.004 364 K CB 0.290 32.773 32.500 -0.028 0.000 0.837 364 K HN 0.266 nan 8.250 nan 0.000 0.510 365 T N -3.645 110.974 114.554 0.107 0.000 3.057 365 T HA 0.166 4.516 4.350 -0.000 0.000 0.254 365 T C 1.586 176.478 174.700 0.319 0.000 1.094 365 T CA 0.484 62.698 62.100 0.190 0.000 1.088 365 T CB 0.381 69.309 68.868 0.101 0.000 0.934 365 T HN 0.222 nan 8.240 nan 0.000 0.497 366 G N 1.203 110.157 108.800 0.256 0.000 2.189 366 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.267 366 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.267 366 G C 0.020 175.049 174.900 0.214 0.000 0.975 366 G CA 0.178 45.454 45.100 0.292 0.000 0.644 366 G HN 0.641 nan 8.290 nan 0.000 0.537 367 Q N 0.821 120.682 119.800 0.100 0.000 2.230 367 Q HA 0.453 4.793 4.340 -0.000 0.000 0.248 367 Q C -2.388 173.567 176.000 -0.075 0.000 0.915 367 Q CA -1.724 54.078 55.803 -0.002 0.000 0.900 367 Q CB 1.984 30.725 28.738 0.004 0.000 1.229 367 Q HN 0.364 nan 8.270 nan 0.000 0.439 368 P HA 0.151 nan 4.420 nan 0.000 0.293 368 P C -0.445 176.698 177.300 -0.262 0.000 1.300 368 P CA -0.458 62.374 63.100 -0.447 0.000 0.792 368 P CB 0.984 31.996 31.700 -1.146 0.000 0.925 369 V N 5.590 125.431 119.914 -0.121 0.000 2.403 369 V HA 0.086 4.206 4.120 -0.000 0.000 0.265 369 V C 1.260 177.460 176.094 0.177 0.000 1.034 369 V CA -0.025 62.291 62.300 0.027 0.000 1.036 369 V CB -0.919 30.923 31.823 0.032 0.000 1.032 369 V HN 0.454 nan 8.190 nan 0.000 0.478 370 R N 3.217 123.861 120.500 0.240 0.000 2.438 370 R HA 0.239 4.579 4.340 -0.000 0.000 0.287 370 R C -0.028 176.412 176.300 0.235 0.000 1.077 370 R CA -0.430 55.886 56.100 0.361 0.000 1.034 370 R CB 0.644 31.159 30.300 0.358 0.000 0.993 370 R HN 0.635 nan 8.270 nan 0.000 0.459 371 D N 4.464 125.001 120.400 0.228 0.000 2.456 371 D HA 0.148 4.788 4.640 -0.000 0.000 0.219 371 D C -1.724 174.690 176.300 0.189 0.000 1.126 371 D CA -2.506 51.609 54.000 0.193 0.000 0.890 371 D CB 1.429 42.369 40.800 0.234 0.000 1.025 371 D HN 0.186 nan 8.370 nan 0.000 0.511 372 P HA -0.192 nan 4.420 nan 0.000 0.218 372 P C 1.101 178.422 177.300 0.034 0.000 1.152 372 P CA 0.904 64.056 63.100 0.085 0.000 0.857 372 P CB 0.339 32.064 31.700 0.042 0.000 0.787 373 E N -2.051 118.124 120.200 -0.041 0.000 2.333 373 E HA -0.180 4.170 4.350 -0.000 0.000 0.200 373 E C 0.551 176.853 176.600 -0.496 0.000 1.010 373 E CA 1.139 57.372 56.400 -0.279 0.000 0.841 373 E CB -0.196 29.256 29.700 -0.413 0.000 0.757 373 E HN 0.494 nan 8.360 nan 0.000 0.508 374 Y N -1.298 119.058 120.300 0.093 0.000 2.641 374 Y HA 0.299 4.848 4.550 -0.000 0.000 0.248 374 Y C 1.094 177.128 175.900 0.223 0.000 1.170 374 Y CA -0.173 57.988 58.100 0.102 0.000 1.201 374 Y CB 0.779 39.236 38.460 -0.007 0.000 1.232 374 Y HN -0.137 nan 8.280 nan 0.000 0.537 375 G N 0.462 109.440 108.800 0.297 0.000 2.621 375 G HA2 0.439 4.399 3.960 -0.000 0.000 0.271 375 G HA3 0.439 4.399 3.960 -0.000 0.000 0.271 375 G C -0.059 174.864 174.900 0.038 0.000 1.236 375 G CA -0.065 45.184 45.100 0.248 0.000 0.958 375 G HN 0.114 nan 8.290 nan 0.000 0.512 376 T N -2.752 111.648 114.554 -0.256 0.000 2.924 376 T HA 0.822 5.172 4.350 -0.000 0.000 0.291 376 T C -0.378 174.272 174.700 -0.084 0.000 1.045 376 T CA -0.864 61.108 62.100 -0.214 0.000 1.015 376 T CB 2.233 70.682 68.868 -0.698 0.000 1.103 376 T HN 1.141 nan 8.240 nan 0.000 0.496 377 R N 0.700 121.251 120.500 0.086 0.000 2.765 377 R HA 0.516 4.856 4.340 -0.000 0.000 0.277 377 R C -1.163 175.230 176.300 0.156 0.000 1.028 377 R CA -1.108 55.048 56.100 0.093 0.000 0.860 377 R CB 0.792 31.131 30.300 0.065 0.000 1.270 377 R HN 0.618 nan 8.270 nan 0.000 0.484 378 M N 2.055 121.723 119.600 0.114 0.000 2.246 378 M HA 0.069 4.549 4.480 -0.000 0.000 0.327 378 M C -0.221 176.162 176.300 0.138 0.000 1.090 378 M CA 1.570 56.942 55.300 0.119 0.000 1.087 378 M CB -0.226 32.425 32.600 0.086 0.000 1.587 378 M HN 0.766 nan 8.290 nan 0.000 0.444 379 D N 0.829 121.312 120.400 0.139 0.000 3.012 379 D HA -0.242 4.398 4.640 -0.000 0.000 0.222 379 D C -0.879 175.540 176.300 0.198 0.000 1.167 379 D CA 1.444 55.525 54.000 0.134 0.000 0.854 379 D CB -1.662 39.196 40.800 0.098 0.000 1.107 379 D HN 0.815 nan 8.370 nan 0.000 0.421 380 H N -0.684 118.438 119.070 0.087 0.000 2.961 380 H HA 0.624 5.180 4.556 -0.000 0.000 0.371 380 H C -1.646 173.755 175.328 0.121 0.000 1.190 380 H CA -0.970 55.129 56.048 0.085 0.000 1.138 380 H CB 1.242 31.044 29.762 0.066 0.000 1.816 380 H HN -0.030 nan 8.280 nan 0.000 0.551 381 L N 3.471 124.362 121.223 -0.553 0.000 2.324 381 L HA 0.758 5.098 4.340 -0.000 0.000 0.274 381 L C -0.744 175.790 176.870 -0.560 0.000 1.012 381 L CA -0.340 54.286 54.840 -0.356 0.000 0.859 381 L CB 0.386 42.385 42.059 -0.100 0.000 1.224 381 L HN 0.767 nan 8.230 nan 0.000 0.429 382 A N 5.246 127.893 122.820 -0.287 0.000 2.363 382 A HA 0.640 4.960 4.320 -0.000 0.000 0.270 382 A C -0.237 177.405 177.584 0.096 0.000 1.121 382 A CA -0.287 51.707 52.037 -0.072 0.000 0.800 382 A CB 0.255 19.305 19.000 0.082 0.000 1.052 382 A HN 0.723 nan 8.150 nan 0.000 0.493 383 K N 1.250 121.728 120.400 0.130 0.000 2.375 383 K HA 0.406 4.726 4.320 -0.000 0.000 0.249 383 K C -1.128 175.650 176.600 0.298 0.000 0.942 383 K CA -0.919 55.492 56.287 0.207 0.000 0.806 383 K CB 1.628 34.214 32.500 0.144 0.000 1.227 383 K HN 0.711 nan 8.250 nan 0.000 0.430 384 D N 1.529 122.140 120.400 0.352 0.000 2.699 384 D HA -0.188 4.452 4.640 -0.000 0.000 0.239 384 D C -0.465 175.972 176.300 0.228 0.000 1.136 384 D CA 0.949 55.151 54.000 0.337 0.000 0.668 384 D CB -0.932 40.047 40.800 0.299 0.000 1.060 384 D HN 0.417 nan 8.370 nan 0.000 0.429 385 I N 0.403 121.079 120.570 0.176 0.000 2.428 385 I HA 0.200 4.370 4.170 -0.000 0.000 0.289 385 I C 0.773 176.795 176.117 -0.159 0.000 1.019 385 I CA -0.214 61.102 61.300 0.026 0.000 1.351 385 I CB 1.364 39.433 38.000 0.115 0.000 1.412 385 I HN 0.053 nan 8.210 nan 0.000 0.513 386 c N 6.676 125.066 118.600 -0.351 0.000 2.482 386 c HA 0.482 5.052 4.570 -0.000 0.000 0.317 386 c C -2.399 171.257 174.090 -0.724 0.000 1.197 386 c CA -1.383 54.677 56.329 -0.448 0.000 1.432 386 c CB 1.746 44.076 42.510 -0.300 0.000 2.062 386 c HN 0.457 nan 8.230 nan 0.000 0.471 387 P HA 0.303 nan 4.420 nan 0.000 0.276 387 P C -0.169 177.019 177.300 -0.187 0.000 1.261 387 P CA -0.098 62.471 63.100 -0.885 0.000 0.800 387 P CB 0.666 31.691 31.700 -1.126 0.000 1.066 388 S N 0.013 115.716 115.700 0.004 0.000 2.661 388 S HA 0.415 4.884 4.470 -0.000 0.000 0.265 388 S C 1.459 176.258 174.600 0.332 0.000 1.225 388 S CA 0.078 58.367 58.200 0.148 0.000 0.986 388 S CB -0.036 63.208 63.200 0.074 0.000 1.008 388 S HN 0.442 nan 8.310 nan 0.000 0.565 389 A N 0.454 123.511 122.820 0.394 0.000 2.032 389 A HA -0.078 4.241 4.320 -0.000 0.000 0.221 389 A C 2.138 180.075 177.584 0.589 0.000 1.165 389 A CA 1.619 53.937 52.037 0.468 0.000 0.645 389 A CB -1.067 18.226 19.000 0.489 0.000 0.807 389 A HN 0.834 nan 8.150 nan 0.000 0.453 390 M N -0.840 119.027 119.600 0.445 0.000 2.557 390 M HA 0.137 4.617 4.480 -0.000 0.000 0.259 390 M C 1.218 177.795 176.300 0.461 0.000 1.086 390 M CA 0.665 56.274 55.300 0.514 0.000 1.096 390 M CB -0.673 32.091 32.600 0.273 0.000 1.424 390 M HN 0.599 nan 8.290 nan 0.000 0.488 391 G N -0.166 108.843 108.800 0.348 0.000 2.880 391 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.617 391 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.617 391 G C -0.430 174.656 174.900 0.311 0.000 1.493 391 G CA -0.639 44.575 45.100 0.191 0.000 0.916 391 G HN 0.311 nan 8.290 nan 0.000 0.553 392 Y N 1.079 121.366 120.300 -0.021 0.000 2.529 392 Y HA 0.244 4.794 4.550 -0.000 0.000 0.290 392 Y C 1.440 177.385 175.900 0.074 0.000 1.177 392 Y CA 0.886 58.994 58.100 0.013 0.000 1.305 392 Y CB 0.006 38.433 38.460 -0.054 0.000 1.047 392 Y HN 0.692 nan 8.280 nan 0.000 0.522 393 H N -0.394 118.758 119.070 0.137 0.000 3.137 393 H HA 0.231 4.787 4.556 -0.000 0.000 0.336 393 H C -1.128 174.198 175.328 -0.004 0.000 1.055 393 H CA -0.393 55.685 56.048 0.050 0.000 1.349 393 H CB 1.176 30.955 29.762 0.028 0.000 1.939 393 H HN 0.078 nan 8.280 nan 0.000 0.487 394 N N 0.999 119.660 118.700 -0.064 0.000 3.178 394 N HA -0.011 4.729 4.740 -0.000 0.000 0.352 394 N C 1.147 176.667 175.510 0.017 0.000 1.423 394 N CA -0.286 52.684 53.050 -0.133 0.000 0.698 394 N CB 1.190 39.158 38.487 -0.865 0.000 1.400 394 N HN 0.675 nan 8.380 nan 0.000 0.586 395 Q N 0.804 120.582 119.800 -0.036 0.000 2.376 395 Q HA -0.070 4.270 4.340 -0.000 0.000 0.211 395 Q C 0.150 176.433 176.000 0.472 0.000 0.986 395 Q CA 0.961 56.922 55.803 0.264 0.000 0.886 395 Q CB -0.912 28.072 28.738 0.409 0.000 0.927 395 Q HN 0.609 nan 8.270 nan 0.000 0.457 396 G N 1.021 109.956 108.800 0.226 0.000 2.391 396 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.234 396 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.234 396 G C -0.866 174.295 174.900 0.435 0.000 1.284 396 G CA -0.152 45.163 45.100 0.358 0.000 0.873 396 G HN 0.430 nan 8.290 nan 0.000 0.549 397 H N 2.178 121.359 119.070 0.186 0.000 2.581 397 H HA 0.262 4.818 4.556 -0.000 0.000 0.308 397 H C -0.293 175.011 175.328 -0.039 0.000 1.040 397 H CA -0.670 55.245 56.048 -0.220 0.000 1.231 397 H CB 0.719 29.893 29.762 -0.980 0.000 1.396 397 H HN 0.471 nan 8.280 nan 0.000 0.467 398 D N 1.945 122.434 120.400 0.147 0.000 2.425 398 D HA 0.187 4.827 4.640 -0.000 0.000 0.274 398 D C 0.317 176.839 176.300 0.371 0.000 1.242 398 D CA -0.185 53.993 54.000 0.296 0.000 1.060 398 D CB 0.796 41.778 40.800 0.304 0.000 1.112 398 D HN 0.614 nan 8.370 nan 0.000 0.561 399 S N -1.571 114.391 115.700 0.437 0.000 2.651 399 S HA 0.591 5.061 4.470 -0.000 0.000 0.279 399 S C -1.517 173.408 174.600 0.542 0.000 1.148 399 S CA -0.943 57.550 58.200 0.488 0.000 0.837 399 S CB 1.842 65.343 63.200 0.502 0.000 1.138 399 S HN 0.494 nan 8.310 nan 0.000 0.478 400 Y N 0.955 121.420 120.300 0.276 0.000 2.386 400 Y HA 0.503 5.053 4.550 -0.000 0.000 0.334 400 Y C -1.514 174.338 175.900 -0.080 0.000 1.002 400 Y CA -0.728 57.336 58.100 -0.060 0.000 1.068 400 Y CB 1.714 39.980 38.460 -0.323 0.000 1.203 400 Y HN 0.846 nan 8.280 nan 0.000 0.443 401 D N 8.256 128.222 120.400 -0.724 0.000 2.380 401 D HA 0.260 4.900 4.640 -0.000 0.000 0.230 401 D C -2.082 173.369 176.300 -1.414 0.000 1.154 401 D CA -2.181 51.322 54.000 -0.828 0.000 0.859 401 D CB 2.058 42.764 40.800 -0.156 0.000 1.045 401 D HN 0.404 nan 8.370 nan 0.000 0.495 402 P HA -0.097 nan 4.420 nan 0.000 0.220 402 P C 1.275 178.254 177.300 -0.536 0.000 1.148 402 P CA 0.803 63.403 63.100 -0.833 0.000 0.803 402 P CB 0.451 31.864 31.700 -0.479 0.000 0.782 403 K N -0.207 119.898 120.400 -0.492 0.000 2.076 403 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 403 K C 1.973 178.441 176.600 -0.220 0.000 1.051 403 K CA 1.065 57.198 56.287 -0.257 0.000 0.949 403 K CB 0.015 32.421 32.500 -0.156 0.000 0.726 403 K HN 0.048 nan 8.250 nan 0.000 0.443 404 R N 0.414 120.754 120.500 -0.267 0.000 2.276 404 R HA 0.037 4.377 4.340 -0.000 0.000 0.196 404 R C -0.117 176.018 176.300 -0.275 0.000 0.961 404 R CA 0.245 56.228 56.100 -0.195 0.000 1.024 404 R CB 0.212 30.451 30.300 -0.101 0.000 0.940 404 R HN 0.242 nan 8.270 nan 0.000 0.480 405 E N 0.264 120.199 120.200 -0.441 0.000 2.476 405 E HA -0.212 4.138 4.350 -0.000 0.000 0.251 405 E C -1.135 175.259 176.600 -0.344 0.000 1.130 405 E CA 0.216 56.407 56.400 -0.350 0.000 0.736 405 E CB -1.015 28.604 29.700 -0.135 0.000 1.298 405 E HN 0.046 nan 8.360 nan 0.000 0.400 406 L N 0.433 121.292 121.223 -0.606 0.000 2.346 406 L HA 0.526 4.866 4.340 -0.000 0.000 0.276 406 L C -0.352 176.057 176.870 -0.769 0.000 1.006 406 L CA -0.166 54.306 54.840 -0.614 0.000 0.817 406 L CB 1.054 42.703 42.059 -0.683 0.000 1.272 406 L HN 0.000 nan 8.230 nan 0.000 0.421 407 F N 3.412 123.167 119.950 -0.325 0.000 2.415 407 F HA 0.465 4.992 4.527 -0.000 0.000 0.348 407 F C -0.344 175.242 175.800 -0.356 0.000 1.119 407 F CA -0.293 57.625 58.000 -0.137 0.000 1.069 407 F CB 0.845 39.894 39.000 0.081 0.000 1.124 407 F HN 0.176 nan 8.300 nan 0.000 0.472 408 F N 4.307 124.413 119.950 0.260 0.000 2.334 408 F HA 0.489 5.016 4.527 -0.000 0.000 0.367 408 F C -0.011 175.895 175.800 0.177 0.000 1.115 408 F CA -0.697 57.386 58.000 0.138 0.000 1.116 408 F CB 0.627 39.738 39.000 0.184 0.000 1.230 408 F HN 0.218 nan 8.300 nan 0.000 0.484 409 M N 2.370 122.117 119.600 0.245 0.000 2.404 409 M HA 0.526 5.006 4.480 -0.000 0.000 0.338 409 M C 0.444 176.820 176.300 0.128 0.000 1.150 409 M CA -0.754 54.688 55.300 0.238 0.000 1.016 409 M CB 1.825 34.564 32.600 0.232 0.000 1.672 409 M HN 0.677 nan 8.290 nan 0.000 0.448 410 G N 4.080 112.929 108.800 0.082 0.000 2.393 410 G HA2 0.525 4.485 3.960 -0.000 0.000 0.311 410 G HA3 0.525 4.485 3.960 -0.000 0.000 0.311 410 G C -0.303 174.504 174.900 -0.155 0.000 1.067 410 G CA -0.437 44.637 45.100 -0.043 0.000 1.000 410 G HN 0.503 nan 8.290 nan 0.000 0.422 411 I N 1.575 122.104 120.570 -0.067 0.000 2.664 411 I HA 0.362 4.532 4.170 -0.000 0.000 0.308 411 I C -0.349 175.764 176.117 -0.005 0.000 0.984 411 I CA -1.313 59.953 61.300 -0.058 0.000 1.213 411 I CB 1.585 39.549 38.000 -0.059 0.000 1.379 411 I HN 0.243 nan 8.210 nan 0.000 0.501 412 N N 1.656 120.366 118.700 0.016 0.000 2.399 412 N HA 0.285 5.025 4.740 -0.000 0.000 0.295 412 N C -0.788 174.669 175.510 -0.090 0.000 1.048 412 N CA -0.384 52.731 53.050 0.108 0.000 0.886 412 N CB 0.923 39.566 38.487 0.260 0.000 1.185 412 N HN 0.477 nan 8.380 nan 0.000 0.487 413 H N 1.818 120.787 119.070 -0.169 0.000 2.418 413 H HA 0.538 5.094 4.556 -0.000 0.000 0.238 413 H C -1.139 174.129 175.328 -0.100 0.000 1.403 413 H CA -0.307 55.542 56.048 -0.331 0.000 1.419 413 H CB -0.374 29.233 29.762 -0.258 0.000 1.463 413 H HN 0.443 nan 8.280 nan 0.000 0.515 414 I N 2.824 123.367 120.570 -0.046 0.000 2.534 414 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 414 I C -0.433 175.672 176.117 -0.021 0.000 1.077 414 I CA -0.638 60.633 61.300 -0.049 0.000 1.051 414 I CB 1.682 39.692 38.000 0.018 0.000 1.234 414 I HN 0.396 nan 8.210 nan 0.000 0.425 415 c N 5.571 124.015 118.600 -0.259 0.000 2.564 415 c HA 0.880 5.450 4.570 -0.000 0.000 0.381 415 c C -0.009 173.690 174.090 -0.652 0.000 1.297 415 c CA -0.606 55.524 56.329 -0.331 0.000 1.846 415 c CB 1.718 44.077 42.510 -0.252 0.000 2.198 415 c HN 0.888 nan 8.230 nan 0.000 0.507 416 M N 0.153 119.507 119.600 -0.410 0.000 2.578 416 M HA 0.612 5.092 4.480 -0.000 0.000 0.276 416 M C -2.322 174.051 176.300 0.122 0.000 1.245 416 M CA -0.265 54.897 55.300 -0.230 0.000 0.871 416 M CB 1.864 34.508 32.600 0.072 0.000 1.722 416 M HN 0.357 nan 8.290 nan 0.000 0.473 417 D N 1.499 122.069 120.400 0.283 0.000 2.181 417 D HA 0.582 5.221 4.640 -0.000 0.000 0.248 417 D C -1.752 174.768 176.300 0.366 0.000 1.020 417 D CA 0.401 54.601 54.000 0.333 0.000 0.891 417 D CB 1.892 42.882 40.800 0.318 0.000 1.187 417 D HN 0.616 nan 8.370 nan 0.000 0.443 418 W N 1.896 123.258 121.300 0.103 0.000 3.274 418 W HA 0.368 5.027 4.660 -0.000 0.000 0.327 418 W C -1.647 174.897 176.519 0.041 0.000 1.172 418 W CA -0.637 56.764 57.345 0.094 0.000 1.217 418 W CB 1.502 31.020 29.460 0.097 0.000 1.376 418 W HN 0.447 nan 8.180 nan 0.000 0.507 419 E N 7.538 127.787 120.200 0.082 0.000 2.349 419 E HA 0.349 4.699 4.350 -0.000 0.000 0.290 419 E C -2.726 173.875 176.600 0.000 0.000 0.901 419 E CA -1.403 55.087 56.400 0.149 0.000 0.800 419 E CB 2.939 32.701 29.700 0.103 0.000 1.303 419 E HN -0.007 nan 8.360 nan 0.000 0.397 420 P HA 0.375 nan 4.420 nan 0.000 0.279 420 P C -0.852 176.483 177.300 0.058 0.000 1.282 420 P CA -0.332 62.740 63.100 -0.046 0.000 0.788 420 P CB 0.484 32.239 31.700 0.092 0.000 1.139 421 F N -3.055 116.889 119.950 -0.011 0.000 2.678 421 F HA 0.483 5.010 4.527 -0.000 0.000 0.308 421 F C -0.833 174.962 175.800 -0.009 0.000 1.118 421 F CA -1.600 56.395 58.000 -0.009 0.000 0.959 421 F CB 0.378 39.358 39.000 -0.033 0.000 1.305 421 F HN -0.024 nan 8.300 nan 0.000 0.443 422 M N 3.999 123.770 119.600 0.284 0.000 2.240 422 M HA 0.659 5.139 4.480 -0.000 0.000 0.333 422 M C -0.343 176.133 176.300 0.294 0.000 1.110 422 M CA -0.333 55.084 55.300 0.196 0.000 1.173 422 M CB 0.877 33.568 32.600 0.150 0.000 1.458 422 M HN 0.902 nan 8.290 nan 0.000 0.458 423 L N 0.801 122.154 121.223 0.216 0.000 2.731 423 L HA 0.690 5.030 4.340 -0.000 0.000 0.256 423 L C -2.993 174.053 176.870 0.294 0.000 0.947 423 L CA -1.580 53.411 54.840 0.252 0.000 0.914 423 L CB 1.742 43.985 42.059 0.307 0.000 1.470 423 L HN 0.392 nan 8.230 nan 0.000 0.421 424 P HA 0.250 nan 4.420 nan 0.000 0.274 424 P C -1.784 175.687 177.300 0.284 0.000 1.246 424 P CA 0.016 63.254 63.100 0.230 0.000 0.795 424 P CB 0.360 32.129 31.700 0.115 0.000 1.006 425 Y N 1.047 121.350 120.300 0.005 0.000 2.331 425 Y HA 0.446 4.996 4.550 -0.000 0.000 0.338 425 Y C -0.224 175.560 175.900 -0.194 0.000 0.976 425 Y CA -0.630 57.291 58.100 -0.299 0.000 1.137 425 Y CB 1.151 39.150 38.460 -0.768 0.000 1.172 425 Y HN 0.182 nan 8.280 nan 0.000 0.478 426 R N 5.493 125.455 120.500 -0.897 0.000 2.422 426 R HA 0.568 4.908 4.340 -0.000 0.000 0.307 426 R C -0.583 175.172 176.300 -0.909 0.000 1.004 426 R CA -0.969 54.708 56.100 -0.706 0.000 0.882 426 R CB 1.484 31.595 30.300 -0.315 0.000 1.164 426 R HN 0.874 nan 8.270 nan 0.000 0.489 427 A N 1.390 123.667 122.820 -0.905 0.000 2.598 427 A HA 0.295 4.615 4.320 -0.000 0.000 0.239 427 A C 1.399 178.792 177.584 -0.317 0.000 1.032 427 A CA 1.447 53.182 52.037 -0.504 0.000 0.760 427 A CB -0.285 18.621 19.000 -0.156 0.000 0.946 427 A HN 1.050 nan 8.150 nan 0.000 0.512 428 G N 1.376 110.023 108.800 -0.255 0.000 2.213 428 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.226 428 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.226 428 G C 0.149 174.905 174.900 -0.240 0.000 0.992 428 G CA 0.431 45.408 45.100 -0.206 0.000 0.632 428 G HN 0.961 nan 8.290 nan 0.000 0.511 429 Q N -0.667 118.974 119.800 -0.265 0.000 2.297 429 Q HA 0.676 5.016 4.340 -0.000 0.000 0.268 429 Q C -0.436 175.459 176.000 -0.174 0.000 1.045 429 Q CA -1.041 54.648 55.803 -0.190 0.000 0.861 429 Q CB 1.481 30.153 28.738 -0.109 0.000 1.344 429 Q HN 0.147 nan 8.270 nan 0.000 0.452 430 F N 1.009 120.940 119.950 -0.032 0.000 2.553 430 F HA -0.004 4.522 4.527 -0.000 0.000 0.356 430 F C 0.478 176.348 175.800 0.117 0.000 1.142 430 F CA 0.634 58.633 58.000 -0.001 0.000 1.322 430 F CB 0.270 39.224 39.000 -0.077 0.000 1.126 430 F HN 0.443 nan 8.300 nan 0.000 0.599 431 F N 3.287 123.301 119.950 0.106 0.000 2.566 431 F HA 0.377 4.904 4.527 -0.000 0.000 0.347 431 F C -0.168 175.617 175.800 -0.025 0.000 1.515 431 F CA -0.500 57.548 58.000 0.081 0.000 1.103 431 F CB -0.354 38.761 39.000 0.192 0.000 1.385 431 F HN 0.174 nan 8.300 nan 0.000 0.560 432 V N 1.056 120.813 119.914 -0.262 0.000 2.326 432 V HA 0.223 4.343 4.120 -0.000 0.000 0.238 432 V C 1.724 177.390 176.094 -0.712 0.000 1.038 432 V CA 1.232 63.102 62.300 -0.715 0.000 1.032 432 V CB -1.063 30.158 31.823 -1.003 0.000 0.675 432 V HN 0.707 nan 8.190 nan 0.000 0.467 433 G N 0.530 108.856 108.800 -0.790 0.000 2.298 433 G HA2 0.176 4.136 3.960 -0.000 0.000 0.287 433 G HA3 0.176 4.136 3.960 -0.000 0.000 0.287 433 G C -0.070 173.955 174.900 -1.458 0.000 1.075 433 G CA 0.483 44.735 45.100 -1.413 0.000 0.960 433 G HN 1.535 nan 8.290 nan 0.000 0.502 434 A N -1.136 120.928 122.820 -1.261 0.000 2.565 434 A HA 0.887 5.206 4.320 -0.000 0.000 0.298 434 A C -0.322 177.040 177.584 -0.369 0.000 1.062 434 A CA 0.547 52.143 52.037 -0.736 0.000 0.723 434 A CB 1.299 19.869 19.000 -0.716 0.000 1.282 434 A HN 1.871 nan 8.150 nan 0.000 0.400 435 T N 2.471 116.916 114.554 -0.181 0.000 2.786 435 T HA 0.638 4.988 4.350 -0.000 0.000 0.283 435 T C -0.696 173.928 174.700 -0.126 0.000 0.992 435 T CA -0.254 61.814 62.100 -0.053 0.000 0.954 435 T CB -0.264 68.652 68.868 0.080 0.000 0.934 435 T HN 0.542 nan 8.240 nan 0.000 0.440 436 L N 4.304 125.494 121.223 -0.055 0.000 2.335 436 L HA 0.737 5.076 4.340 -0.000 0.000 0.268 436 L C 0.063 177.005 176.870 0.120 0.000 1.016 436 L CA -0.782 54.087 54.840 0.048 0.000 0.805 436 L CB 1.531 43.676 42.059 0.144 0.000 1.311 436 L HN 0.797 nan 8.230 nan 0.000 0.456 437 N N 0.454 119.259 118.700 0.176 0.000 2.572 437 N HA 0.530 5.270 4.740 -0.000 0.000 0.287 437 N C -1.639 174.006 175.510 0.224 0.000 1.136 437 N CA -0.263 52.915 53.050 0.215 0.000 0.900 437 N CB 0.905 39.538 38.487 0.243 0.000 1.484 437 N HN 0.513 nan 8.380 nan 0.000 0.526 438 M N 2.541 122.238 119.600 0.162 0.000 2.644 438 M HA 0.590 5.070 4.480 -0.000 0.000 0.316 438 M C -1.081 175.289 176.300 0.116 0.000 1.200 438 M CA -0.786 54.484 55.300 -0.050 0.000 0.944 438 M CB 1.660 34.225 32.600 -0.058 0.000 1.691 438 M HN 0.599 nan 8.290 nan 0.000 0.471 439 Y N -1.898 118.416 120.300 0.024 0.000 2.750 439 Y HA 0.679 5.229 4.550 -0.000 0.000 0.335 439 Y C -3.183 172.593 175.900 -0.207 0.000 1.252 439 Y CA -2.983 55.042 58.100 -0.124 0.000 1.064 439 Y CB -0.441 37.900 38.460 -0.200 0.000 1.321 439 Y HN 0.361 nan 8.280 nan 0.000 0.451 440 P HA 0.221 nan 4.420 nan 0.000 0.269 440 P C 0.184 177.434 177.300 -0.083 0.000 1.215 440 P CA 0.459 63.488 63.100 -0.119 0.000 0.780 440 P CB 0.697 32.312 31.700 -0.143 0.000 0.898 441 G N 2.287 110.931 108.800 -0.260 0.000 2.616 441 G HA2 0.179 4.139 3.960 -0.000 0.000 0.268 441 G HA3 0.179 4.139 3.960 -0.000 0.000 0.268 441 G C -1.663 173.189 174.900 -0.079 0.000 1.213 441 G CA -1.183 43.607 45.100 -0.516 0.000 0.926 441 G HN 0.303 nan 8.290 nan 0.000 0.523 442 P HA -0.131 nan 4.420 nan 0.000 0.218 442 P C 1.426 178.824 177.300 0.164 0.000 1.152 442 P CA 1.582 64.751 63.100 0.115 0.000 0.857 442 P CB 0.157 31.917 31.700 0.099 0.000 0.787 443 K N -1.152 119.455 120.400 0.346 0.000 2.487 443 K HA 0.173 4.493 4.320 -0.000 0.000 0.192 443 K C 1.320 177.932 176.600 0.020 0.000 1.027 443 K CA 0.035 56.358 56.287 0.059 0.000 1.054 443 K CB -0.045 32.332 32.500 -0.205 0.000 0.824 443 K HN 0.168 nan 8.250 nan 0.000 0.510 444 G N 0.454 109.330 108.800 0.126 0.000 2.613 444 G HA2 0.043 4.003 3.960 -0.000 0.000 0.303 444 G HA3 0.043 4.003 3.960 -0.000 0.000 0.303 444 G C -1.245 173.651 174.900 -0.007 0.000 1.312 444 G CA -0.463 44.664 45.100 0.046 0.000 1.036 444 G HN -0.009 nan 8.290 nan 0.000 0.513 445 D N -0.523 119.853 120.400 -0.039 0.000 2.441 445 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 445 D C 1.319 177.563 176.300 -0.093 0.000 1.156 445 D CA -0.422 53.550 54.000 -0.046 0.000 0.896 445 D CB 0.884 41.665 40.800 -0.032 0.000 1.028 445 D HN 0.422 nan 8.370 nan 0.000 0.509 446 R N 2.571 123.004 120.500 -0.112 0.000 2.237 446 R HA -0.089 4.251 4.340 -0.000 0.000 0.219 446 R C 1.654 177.841 176.300 -0.189 0.000 1.080 446 R CA 0.936 56.901 56.100 -0.226 0.000 0.995 446 R CB 0.296 30.492 30.300 -0.173 0.000 0.875 446 R HN 0.435 nan 8.270 nan 0.000 0.462 447 Q N 0.389 120.158 119.800 -0.051 0.000 1.990 447 Q HA -0.057 4.283 4.340 -0.000 0.000 0.200 447 Q C 1.037 177.121 176.000 0.141 0.000 0.980 447 Q CA 1.306 57.133 55.803 0.040 0.000 0.832 447 Q CB -0.128 28.628 28.738 0.029 0.000 0.897 447 Q HN 0.419 nan 8.270 nan 0.000 0.427 448 N N -0.359 118.409 118.700 0.114 0.000 2.322 448 N HA -0.019 4.721 4.740 -0.000 0.000 0.194 448 N C -0.603 175.073 175.510 0.276 0.000 1.126 448 N CA -0.029 53.126 53.050 0.175 0.000 0.845 448 N CB 0.242 38.793 38.487 0.107 0.000 0.976 448 N HN 0.183 nan 8.380 nan 0.000 0.475 449 Y N 0.748 121.072 120.300 0.040 0.000 3.027 449 Y HA -0.286 4.264 4.550 -0.000 0.000 0.195 449 Y C -0.003 175.917 175.900 0.035 0.000 1.381 449 Y CA 0.574 58.701 58.100 0.044 0.000 1.015 449 Y CB -1.900 36.600 38.460 0.066 0.000 1.329 449 Y HN 0.152 nan 8.280 nan 0.000 0.462 450 E N -0.522 119.690 120.200 0.021 0.000 2.390 450 E HA 0.607 4.957 4.350 -0.000 0.000 0.277 450 E C 0.462 176.986 176.600 -0.126 0.000 0.939 450 E CA -0.520 55.815 56.400 -0.109 0.000 0.769 450 E CB 2.260 31.875 29.700 -0.141 0.000 1.251 450 E HN 0.379 nan 8.360 nan 0.000 0.450 451 G N 1.872 110.561 108.800 -0.185 0.000 2.270 451 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.224 451 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.224 451 G C 0.210 175.095 174.900 -0.025 0.000 1.079 451 G CA -0.400 44.635 45.100 -0.108 0.000 0.807 451 G HN 0.320 nan 8.290 nan 0.000 0.492 452 L N -0.180 121.039 121.223 -0.007 0.000 2.592 452 L HA 0.378 4.718 4.340 -0.000 0.000 0.227 452 L C 1.486 178.442 176.870 0.145 0.000 1.127 452 L CA 1.661 56.545 54.840 0.074 0.000 0.884 452 L CB -0.762 41.344 42.059 0.079 0.000 1.065 452 L HN 0.601 nan 8.230 nan 0.000 0.457 453 G N -0.167 108.691 108.800 0.098 0.000 2.766 453 G HA2 0.672 4.632 3.960 -0.000 0.000 0.288 453 G HA3 0.672 4.632 3.960 -0.000 0.000 0.288 453 G C -1.337 173.560 174.900 -0.005 0.000 1.408 453 G CA -0.241 44.916 45.100 0.095 0.000 0.852 453 G HN 0.161 nan 8.290 nan 0.000 0.487 454 Q N -1.489 118.302 119.800 -0.015 0.000 2.647 454 Q HA 0.596 4.936 4.340 -0.000 0.000 0.283 454 Q C -1.930 174.050 176.000 -0.034 0.000 0.943 454 Q CA -0.914 54.860 55.803 -0.048 0.000 0.813 454 Q CB 2.295 30.950 28.738 -0.139 0.000 1.477 454 Q HN 0.739 nan 8.270 nan 0.000 0.393 455 I N 0.589 121.161 120.570 0.004 0.000 2.533 455 I HA 0.573 4.743 4.170 -0.000 0.000 0.290 455 I C -1.816 174.342 176.117 0.068 0.000 1.056 455 I CA -0.544 60.760 61.300 0.007 0.000 1.057 455 I CB 1.711 39.657 38.000 -0.089 0.000 1.240 455 I HN 0.662 nan 8.210 nan 0.000 0.423 456 K N 5.787 126.157 120.400 -0.049 0.000 2.443 456 K HA 0.802 5.122 4.320 -0.000 0.000 0.251 456 K C -1.253 175.100 176.600 -0.411 0.000 0.972 456 K CA -0.942 55.224 56.287 -0.202 0.000 0.833 456 K CB 2.215 34.745 32.500 0.051 0.000 1.317 456 K HN 0.557 nan 8.250 nan 0.000 0.441 457 A N 1.763 124.110 122.820 -0.788 0.000 2.288 457 A HA 0.518 4.838 4.320 -0.000 0.000 0.320 457 A C -1.639 175.755 177.584 -0.317 0.000 1.217 457 A CA -0.372 51.226 52.037 -0.733 0.000 0.840 457 A CB 0.193 18.484 19.000 -1.183 0.000 1.179 457 A HN 0.713 nan 8.150 nan 0.000 0.504 458 Y N 3.128 123.187 120.300 -0.402 0.000 2.512 458 Y HA 0.540 5.090 4.550 -0.000 0.000 0.348 458 Y C -0.775 174.990 175.900 -0.225 0.000 0.990 458 Y CA -1.115 56.708 58.100 -0.462 0.000 1.033 458 Y CB 1.677 39.779 38.460 -0.598 0.000 1.259 458 Y HN 0.636 nan 8.280 nan 0.000 0.461 459 N N 3.624 121.769 118.700 -0.925 0.000 2.417 459 N HA 0.351 5.091 4.740 -0.000 0.000 0.274 459 N C 0.041 174.860 175.510 -1.151 0.000 0.987 459 N CA 0.502 53.136 53.050 -0.694 0.000 0.912 459 N CB 2.138 40.373 38.487 -0.419 0.000 1.177 459 N HN 0.972 nan 8.380 nan 0.000 0.490 460 A N 4.521 126.976 122.820 -0.608 0.000 1.969 460 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 460 A C 1.811 179.226 177.584 -0.282 0.000 1.169 460 A CA 0.916 52.688 52.037 -0.441 0.000 0.635 460 A CB -0.157 18.790 19.000 -0.088 0.000 0.810 460 A HN 0.701 nan 8.150 nan 0.000 0.445 461 I N -0.674 119.761 120.570 -0.226 0.000 2.400 461 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 461 I C 2.313 178.333 176.117 -0.162 0.000 1.109 461 I CA 1.608 62.814 61.300 -0.155 0.000 1.425 461 I CB -1.833 36.099 38.000 -0.113 0.000 1.094 461 I HN 0.183 nan 8.210 nan 0.000 0.425 462 T N 0.227 114.659 114.554 -0.204 0.000 2.851 462 T HA 0.113 4.463 4.350 -0.000 0.000 0.262 462 T C 1.567 176.165 174.700 -0.169 0.000 1.043 462 T CA 1.402 63.403 62.100 -0.165 0.000 1.140 462 T CB -0.194 68.577 68.868 -0.162 0.000 0.872 462 T HN 0.560 nan 8.240 nan 0.000 0.446 463 G N 1.701 110.318 108.800 -0.305 0.000 2.157 463 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.248 463 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.248 463 G C -0.351 174.473 174.900 -0.126 0.000 0.979 463 G CA 0.046 45.040 45.100 -0.178 0.000 0.650 463 G HN 0.471 nan 8.290 nan 0.000 0.529 464 D N -0.483 119.786 120.400 -0.218 0.000 2.255 464 D HA 0.546 5.186 4.640 -0.000 0.000 0.249 464 D C -0.148 176.050 176.300 -0.169 0.000 1.078 464 D CA 0.072 54.019 54.000 -0.088 0.000 0.896 464 D CB 0.366 41.126 40.800 -0.068 0.000 1.194 464 D HN 0.192 nan 8.370 nan 0.000 0.429 465 Y N 1.748 122.070 120.300 0.037 0.000 2.595 465 Y HA 0.149 4.699 4.550 -0.000 0.000 0.336 465 Y C 1.385 177.277 175.900 -0.014 0.000 0.996 465 Y CA -0.570 57.540 58.100 0.016 0.000 1.260 465 Y CB 1.369 39.844 38.460 0.024 0.000 1.108 465 Y HN 0.302 nan 8.280 nan 0.000 0.509 466 K N 3.795 124.204 120.400 0.015 0.000 2.107 466 K HA -0.146 4.173 4.320 -0.000 0.000 0.211 466 K C -0.291 176.470 176.600 0.268 0.000 1.049 466 K CA 1.905 58.244 56.287 0.088 0.000 0.927 466 K CB 0.132 32.655 32.500 0.038 0.000 0.714 466 K HN 0.721 nan 8.250 nan 0.000 0.452 467 W N -1.586 119.818 121.300 0.172 0.000 3.298 467 W HA 0.430 5.090 4.660 -0.000 0.000 0.302 467 W C -1.787 174.822 176.519 0.150 0.000 1.255 467 W CA -0.771 56.659 57.345 0.141 0.000 1.196 467 W CB 0.536 30.068 29.460 0.120 0.000 1.364 467 W HN -0.156 nan 8.180 nan 0.000 0.566 468 E N 2.023 122.502 120.200 0.465 0.000 2.314 468 E HA 0.535 4.885 4.350 -0.000 0.000 0.272 468 E C -0.866 175.912 176.600 0.297 0.000 0.884 468 E CA -1.095 55.476 56.400 0.285 0.000 0.753 468 E CB 3.014 32.742 29.700 0.045 0.000 1.213 468 E HN 0.120 nan 8.360 nan 0.000 0.432 469 K N 1.989 122.541 120.400 0.252 0.000 2.464 469 K HA 0.471 4.791 4.320 -0.000 0.000 0.253 469 K C -0.760 175.872 176.600 0.054 0.000 0.933 469 K CA -0.841 55.537 56.287 0.151 0.000 0.801 469 K CB 2.022 34.640 32.500 0.197 0.000 1.271 469 K HN 0.474 nan 8.250 nan 0.000 0.430 470 M N 1.683 121.282 119.600 -0.003 0.000 2.249 470 M HA 0.290 4.770 4.480 -0.000 0.000 0.351 470 M C 0.163 176.450 176.300 -0.022 0.000 1.180 470 M CA -0.137 55.133 55.300 -0.050 0.000 1.127 470 M CB 0.878 33.427 32.600 -0.085 0.000 1.546 470 M HN 0.338 nan 8.290 nan 0.000 0.461 471 E N 1.137 121.324 120.200 -0.020 0.000 2.277 471 E HA 0.314 4.664 4.350 -0.000 0.000 0.266 471 E C 0.438 176.991 176.600 -0.079 0.000 0.901 471 E CA -0.394 56.008 56.400 0.004 0.000 0.782 471 E CB 2.388 32.149 29.700 0.102 0.000 1.228 471 E HN 0.594 nan 8.360 nan 0.000 0.424 472 R N 1.511 121.904 120.500 -0.178 0.000 2.083 472 R HA -0.082 4.258 4.340 -0.000 0.000 0.237 472 R C 0.019 175.993 176.300 -0.543 0.000 1.137 472 R CA 1.526 57.353 56.100 -0.454 0.000 0.951 472 R CB 0.119 29.993 30.300 -0.709 0.000 0.851 472 R HN 0.233 nan 8.270 nan 0.000 0.434 473 F N -0.678 119.314 119.950 0.069 0.000 2.594 473 F HA 0.539 5.066 4.527 -0.000 0.000 0.335 473 F C 0.289 176.227 175.800 0.229 0.000 1.058 473 F CA -1.108 56.996 58.000 0.173 0.000 0.981 473 F CB 0.888 40.032 39.000 0.240 0.000 1.289 473 F HN 0.038 nan 8.300 nan 0.000 0.490 474 A N 0.363 123.532 122.820 0.582 0.000 2.531 474 A HA 0.354 4.674 4.320 -0.000 0.000 0.236 474 A C -0.280 177.576 177.584 0.453 0.000 1.062 474 A CA -0.301 52.025 52.037 0.481 0.000 0.760 474 A CB -0.224 19.171 19.000 0.658 0.000 0.995 474 A HN 0.535 nan 8.150 nan 0.000 0.501 475 V N 5.032 125.143 119.914 0.328 0.000 2.162 475 V HA -0.026 4.094 4.120 -0.000 0.000 0.255 475 V C 1.128 177.423 176.094 0.336 0.000 1.304 475 V CA -0.354 62.127 62.300 0.302 0.000 1.198 475 V CB -0.758 31.133 31.823 0.114 0.000 1.333 475 V HN 1.075 nan 8.190 nan 0.000 0.493 476 W N 3.148 124.574 121.300 0.210 0.000 2.350 476 W HA -0.105 4.555 4.660 -0.000 0.000 0.289 476 W C 1.608 178.300 176.519 0.288 0.000 1.215 476 W CA 1.611 59.091 57.345 0.225 0.000 1.236 476 W CB 0.238 29.826 29.460 0.215 0.000 1.130 476 W HN 0.643 nan 8.180 nan 0.000 0.541 477 G N -0.455 108.648 108.800 0.505 0.000 3.277 477 G HA2 0.391 4.351 3.960 -0.000 0.000 0.243 477 G HA3 0.391 4.351 3.960 -0.000 0.000 0.243 477 G C 0.371 175.559 174.900 0.480 0.000 1.107 477 G CA 0.396 45.796 45.100 0.500 0.000 0.771 477 G HN 0.420 nan 8.290 nan 0.000 0.544 478 G N -0.650 108.376 108.800 0.376 0.000 2.631 478 G HA2 0.350 4.310 3.960 -0.000 0.000 0.504 478 G HA3 0.350 4.310 3.960 -0.000 0.000 0.504 478 G C -0.177 174.964 174.900 0.400 0.000 1.306 478 G CA 0.064 45.382 45.100 0.365 0.000 0.897 478 G HN 1.404 nan 8.290 nan 0.000 0.520 479 T N -2.581 112.208 114.554 0.391 0.000 2.865 479 T HA 0.816 5.166 4.350 -0.000 0.000 0.294 479 T C -0.229 174.722 174.700 0.417 0.000 1.119 479 T CA 0.054 62.412 62.100 0.429 0.000 1.007 479 T CB 2.246 71.348 68.868 0.390 0.000 1.225 479 T HN 1.866 nan 8.240 nan 0.000 0.515 480 M N 1.301 121.155 119.600 0.424 0.000 2.378 480 M HA 0.691 5.171 4.480 -0.000 0.000 0.289 480 M C -2.102 174.415 176.300 0.362 0.000 1.136 480 M CA -0.760 54.775 55.300 0.392 0.000 0.917 480 M CB 1.957 34.771 32.600 0.358 0.000 1.669 480 M HN 1.143 nan 8.290 nan 0.000 0.461 481 A N 2.360 125.376 122.820 0.326 0.000 2.386 481 A HA 0.880 5.200 4.320 -0.000 0.000 0.311 481 A C -0.531 177.057 177.584 0.005 0.000 1.068 481 A CA -0.416 51.766 52.037 0.241 0.000 0.743 481 A CB 1.703 20.916 19.000 0.355 0.000 1.258 481 A HN 0.864 nan 8.150 nan 0.000 0.429 482 T N -1.872 112.645 114.554 -0.061 0.000 2.926 482 T HA 0.640 4.989 4.350 -0.000 0.000 0.289 482 T C 0.810 175.387 174.700 -0.206 0.000 1.054 482 T CA 0.079 61.958 62.100 -0.368 0.000 1.015 482 T CB 1.576 70.371 68.868 -0.122 0.000 1.167 482 T HN 1.541 nan 8.240 nan 0.000 0.526 483 A N -0.040 122.633 122.820 -0.245 0.000 2.239 483 A HA 0.350 4.670 4.320 -0.000 0.000 0.209 483 A C 1.929 179.553 177.584 0.066 0.000 1.171 483 A CA 0.723 52.826 52.037 0.110 0.000 0.768 483 A CB -1.172 17.902 19.000 0.124 0.000 0.790 483 A HN 1.133 nan 8.150 nan 0.000 0.478 484 G N -0.824 107.987 108.800 0.018 0.000 3.181 484 G HA2 0.299 4.259 3.960 -0.000 0.000 0.219 484 G HA3 0.299 4.259 3.960 -0.000 0.000 0.219 484 G C -0.003 174.907 174.900 0.017 0.000 1.182 484 G CA 0.503 45.611 45.100 0.014 0.000 0.791 484 G HN 0.413 nan 8.290 nan 0.000 0.537 485 D N -1.293 119.138 120.400 0.051 0.000 2.981 485 D HA -0.122 4.518 4.640 -0.000 0.000 0.223 485 D C -0.064 176.223 176.300 -0.021 0.000 1.151 485 D CA 0.631 54.657 54.000 0.045 0.000 0.827 485 D CB -1.217 39.599 40.800 0.027 0.000 1.101 485 D HN 0.189 nan 8.370 nan 0.000 0.426 486 L N -0.071 121.129 121.223 -0.037 0.000 2.333 486 L HA 0.667 5.007 4.340 -0.000 0.000 0.269 486 L C 0.148 176.937 176.870 -0.137 0.000 1.010 486 L CA -1.177 53.569 54.840 -0.155 0.000 0.818 486 L CB 2.231 44.139 42.059 -0.253 0.000 1.306 486 L HN -0.143 nan 8.230 nan 0.000 0.430 487 V N 2.541 122.321 119.914 -0.222 0.000 2.447 487 V HA 0.460 4.580 4.120 -0.000 0.000 0.292 487 V C -0.619 175.509 176.094 0.058 0.000 1.021 487 V CA -0.586 61.665 62.300 -0.082 0.000 0.850 487 V CB 1.289 32.983 31.823 -0.214 0.000 1.005 487 V HN 0.400 nan 8.190 nan 0.000 0.426 488 F N 4.819 124.864 119.950 0.159 0.000 2.440 488 F HA 0.869 5.395 4.527 -0.000 0.000 0.328 488 F C -0.085 175.928 175.800 0.356 0.000 1.070 488 F CA -0.640 57.467 58.000 0.177 0.000 1.011 488 F CB 1.623 40.676 39.000 0.088 0.000 1.226 488 F HN 0.624 nan 8.300 nan 0.000 0.491 489 Y N -1.280 119.243 120.300 0.371 0.000 2.638 489 Y HA 0.653 5.203 4.550 -0.000 0.000 0.334 489 Y C -0.852 175.223 175.900 0.291 0.000 1.182 489 Y CA -1.990 56.300 58.100 0.317 0.000 1.102 489 Y CB 0.517 39.151 38.460 0.290 0.000 1.343 489 Y HN 0.786 nan 8.280 nan 0.000 0.463 490 G N 0.755 109.805 108.800 0.416 0.000 2.410 490 G HA2 0.593 4.552 3.960 -0.000 0.000 0.330 490 G HA3 0.593 4.552 3.960 -0.000 0.000 0.330 490 G C -0.853 174.300 174.900 0.422 0.000 1.142 490 G CA -0.431 44.862 45.100 0.322 0.000 0.902 490 G HN 1.080 nan 8.290 nan 0.000 0.491 491 T N -0.675 114.090 114.554 0.352 0.000 2.908 491 T HA 0.415 4.765 4.350 -0.000 0.000 0.290 491 T C 1.391 176.290 174.700 0.332 0.000 1.034 491 T CA -0.855 61.481 62.100 0.393 0.000 1.010 491 T CB 1.644 70.745 68.868 0.388 0.000 1.068 491 T HN 0.190 nan 8.240 nan 0.000 0.481 492 L N 0.781 122.200 121.223 0.328 0.000 2.131 492 L HA -0.030 4.309 4.340 -0.000 0.000 0.210 492 L C 1.986 178.966 176.870 0.182 0.000 1.092 492 L CA 1.385 56.338 54.840 0.188 0.000 0.759 492 L CB -0.539 41.559 42.059 0.064 0.000 0.903 492 L HN 0.791 nan 8.230 nan 0.000 0.435 493 D N -0.322 120.294 120.400 0.360 0.000 2.349 493 D HA 0.041 4.680 4.640 -0.000 0.000 0.224 493 D C 1.179 177.616 176.300 0.229 0.000 1.029 493 D CA 0.749 54.968 54.000 0.364 0.000 0.879 493 D CB 0.008 41.074 40.800 0.444 0.000 0.906 493 D HN 0.240 nan 8.370 nan 0.000 0.528 494 G N -0.291 108.608 108.800 0.164 0.000 2.392 494 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 494 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 494 G C -0.844 173.848 174.900 -0.347 0.000 1.097 494 G CA -0.592 44.473 45.100 -0.058 0.000 0.840 494 G HN 0.304 nan 8.290 nan 0.000 0.492 495 Y N -1.632 118.702 120.300 0.057 0.000 2.536 495 Y HA 0.721 5.271 4.550 -0.000 0.000 0.347 495 Y C 0.065 175.964 175.900 -0.001 0.000 1.000 495 Y CA -1.370 56.720 58.100 -0.017 0.000 1.051 495 Y CB 2.094 40.499 38.460 -0.090 0.000 1.259 495 Y HN 0.301 nan 8.280 nan 0.000 0.468 496 L N 3.462 124.754 121.223 0.115 0.000 2.294 496 L HA 0.521 4.861 4.340 -0.000 0.000 0.283 496 L C -1.086 175.701 176.870 -0.137 0.000 1.015 496 L CA -0.576 54.285 54.840 0.035 0.000 0.831 496 L CB 0.356 42.456 42.059 0.068 0.000 1.217 496 L HN 0.518 nan 8.230 nan 0.000 0.420 497 K N 3.856 124.101 120.400 -0.258 0.000 2.156 497 K HA 0.904 5.224 4.320 -0.000 0.000 0.250 497 K C -1.051 175.414 176.600 -0.226 0.000 0.955 497 K CA -0.864 55.197 56.287 -0.377 0.000 0.855 497 K CB 1.986 34.038 32.500 -0.746 0.000 1.101 497 K HN 0.679 nan 8.250 nan 0.000 0.434 498 A N 2.543 125.292 122.820 -0.119 0.000 2.359 498 A HA 0.559 4.879 4.320 -0.000 0.000 0.303 498 A C -0.915 176.558 177.584 -0.184 0.000 1.066 498 A CA -0.775 51.079 52.037 -0.304 0.000 0.730 498 A CB 1.009 19.723 19.000 -0.476 0.000 1.211 498 A HN 0.723 nan 8.150 nan 0.000 0.439 499 R N 1.130 121.534 120.500 -0.160 0.000 2.803 499 R HA 0.361 4.701 4.340 -0.000 0.000 0.276 499 R C -1.042 175.137 176.300 -0.200 0.000 0.978 499 R CA -0.894 55.116 56.100 -0.149 0.000 0.939 499 R CB 1.817 32.064 30.300 -0.089 0.000 1.179 499 R HN 0.844 nan 8.270 nan 0.000 0.472 500 D N 0.673 120.932 120.400 -0.234 0.000 2.401 500 D HA -0.007 4.633 4.640 -0.000 0.000 0.254 500 D C 0.197 176.411 176.300 -0.143 0.000 1.192 500 D CA 0.381 54.272 54.000 -0.182 0.000 0.885 500 D CB 1.191 41.881 40.800 -0.182 0.000 1.147 500 D HN 0.403 nan 8.370 nan 0.000 0.478 501 S N 3.241 118.939 115.700 -0.002 0.000 2.402 501 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 501 S C 1.126 176.041 174.600 0.525 0.000 1.030 501 S CA 0.925 59.266 58.200 0.235 0.000 1.003 501 S CB 0.132 63.459 63.200 0.212 0.000 0.813 501 S HN 0.600 nan 8.310 nan 0.000 0.477 502 D N 0.472 121.015 120.400 0.239 0.000 2.201 502 D HA -0.005 4.635 4.640 -0.000 0.000 0.209 502 D C 2.289 178.657 176.300 0.113 0.000 0.961 502 D CA 1.706 55.855 54.000 0.248 0.000 0.861 502 D CB -0.358 40.516 40.800 0.124 0.000 0.997 502 D HN 0.584 nan 8.370 nan 0.000 0.486 503 T N -3.141 111.298 114.554 -0.191 0.000 3.037 503 T HA 0.311 4.661 4.350 -0.000 0.000 0.252 503 T C 1.694 175.865 174.700 -0.881 0.000 1.073 503 T CA 0.899 62.796 62.100 -0.338 0.000 1.091 503 T CB 0.739 69.487 68.868 -0.199 0.000 0.935 503 T HN 0.187 nan 8.240 nan 0.000 0.488 504 G N 1.746 109.731 108.800 -1.357 0.000 2.143 504 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.249 504 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.249 504 G C -0.504 173.932 174.900 -0.773 0.000 0.981 504 G CA -0.023 43.926 45.100 -1.918 0.000 0.665 504 G HN 0.595 nan 8.290 nan 0.000 0.528 505 D N -0.068 120.046 120.400 -0.476 0.000 2.389 505 D HA 0.372 5.012 4.640 -0.000 0.000 0.247 505 D C 0.692 176.869 176.300 -0.204 0.000 1.128 505 D CA -0.372 53.471 54.000 -0.262 0.000 0.884 505 D CB 1.382 42.072 40.800 -0.184 0.000 1.194 505 D HN 0.206 nan 8.370 nan 0.000 0.441 506 L N 3.224 124.364 121.223 -0.139 0.000 2.385 506 L HA 0.079 4.419 4.340 -0.000 0.000 0.281 506 L C 0.490 177.314 176.870 -0.077 0.000 1.106 506 L CA 0.377 55.157 54.840 -0.101 0.000 0.856 506 L CB 0.042 42.045 42.059 -0.093 0.000 1.186 506 L HN 0.441 nan 8.230 nan 0.000 0.453 507 L N 4.519 125.710 121.223 -0.055 0.000 2.408 507 L HA 0.255 4.595 4.340 -0.000 0.000 0.215 507 L C -0.165 176.781 176.870 0.127 0.000 1.081 507 L CA -0.106 54.733 54.840 -0.002 0.000 0.840 507 L CB -0.008 42.028 42.059 -0.039 0.000 1.002 507 L HN 0.691 nan 8.230 nan 0.000 0.468 508 W N 1.178 122.393 121.300 -0.141 0.000 3.298 508 W HA 0.428 5.088 4.660 -0.000 0.000 0.302 508 W C -1.814 174.647 176.519 -0.097 0.000 1.255 508 W CA -1.094 56.194 57.345 -0.095 0.000 1.196 508 W CB 1.035 30.441 29.460 -0.090 0.000 1.364 508 W HN -0.149 nan 8.180 nan 0.000 0.566 509 K N 3.396 123.121 120.400 -1.126 0.000 2.575 509 K HA 0.744 5.063 4.320 -0.000 0.000 0.279 509 K C -2.452 173.445 176.600 -1.172 0.000 0.969 509 K CA -0.812 54.793 56.287 -1.136 0.000 0.868 509 K CB 2.565 34.771 32.500 -0.490 0.000 1.457 509 K HN 0.457 nan 8.250 nan 0.000 0.426 510 F N 1.163 120.586 119.950 -0.879 0.000 2.576 510 F HA 0.469 4.996 4.527 -0.000 0.000 0.313 510 F C -1.134 174.603 175.800 -0.106 0.000 1.078 510 F CA -0.773 57.008 58.000 -0.365 0.000 0.921 510 F CB 2.363 41.312 39.000 -0.085 0.000 1.232 510 F HN 0.622 nan 8.300 nan 0.000 0.459 511 K N 6.936 126.784 120.400 -0.919 0.000 2.250 511 K HA 0.374 4.694 4.320 -0.000 0.000 0.285 511 K C -0.645 175.684 176.600 -0.453 0.000 1.097 511 K CA -0.316 55.525 56.287 -0.744 0.000 0.913 511 K CB -0.548 31.546 32.500 -0.675 0.000 1.179 511 K HN 0.576 nan 8.250 nan 0.000 0.462 512 I N 1.677 122.155 120.570 -0.153 0.000 2.886 512 I HA 0.393 4.563 4.170 -0.000 0.000 0.299 512 I C -1.537 174.449 176.117 -0.219 0.000 1.044 512 I CA -2.385 58.914 61.300 -0.002 0.000 1.310 512 I CB 0.709 38.808 38.000 0.165 0.000 1.441 512 I HN 0.350 nan 8.210 nan 0.000 0.578 513 P HA -0.126 nan 4.420 nan 0.000 0.216 513 P C 0.334 177.473 177.300 -0.268 0.000 1.153 513 P CA 1.272 64.096 63.100 -0.461 0.000 0.858 513 P CB 0.148 31.271 31.700 -0.960 0.000 0.789 514 S N -2.841 112.765 115.700 -0.156 0.000 2.638 514 S HA 0.627 5.096 4.470 -0.000 0.000 0.274 514 S C -0.155 174.487 174.600 0.070 0.000 1.157 514 S CA -0.567 57.631 58.200 -0.004 0.000 0.826 514 S CB 0.749 63.995 63.200 0.076 0.000 1.139 514 S HN 0.094 nan 8.310 nan 0.000 0.474 515 G N 0.774 109.617 108.800 0.072 0.000 2.562 515 G HA2 0.477 4.437 3.960 -0.000 0.000 0.233 515 G HA3 0.477 4.437 3.960 -0.000 0.000 0.233 515 G C -0.086 174.919 174.900 0.175 0.000 1.266 515 G CA 0.237 45.404 45.100 0.112 0.000 0.852 515 G HN 1.101 nan 8.290 nan 0.000 0.581 516 A N 1.177 124.133 122.820 0.226 0.000 2.287 516 A HA 0.597 4.917 4.320 -0.000 0.000 0.317 516 A C 0.615 178.397 177.584 0.329 0.000 1.220 516 A CA -0.739 51.468 52.037 0.284 0.000 0.835 516 A CB 0.721 19.902 19.000 0.302 0.000 1.180 516 A HN 1.201 nan 8.150 nan 0.000 0.500 517 I N 0.468 121.253 120.570 0.357 0.000 3.947 517 I HA 0.517 4.687 4.170 -0.000 0.000 0.327 517 I C 0.483 176.908 176.117 0.513 0.000 1.519 517 I CA -0.270 61.308 61.300 0.462 0.000 1.122 517 I CB 0.412 38.672 38.000 0.434 0.000 1.146 517 I HN 0.487 nan 8.210 nan 0.000 0.442 518 G N 0.917 109.989 108.800 0.453 0.000 3.013 518 G HA2 0.578 4.538 3.960 -0.000 0.000 0.278 518 G HA3 0.578 4.538 3.960 -0.000 0.000 0.278 518 G C -1.407 173.734 174.900 0.402 0.000 1.353 518 G CA -0.733 44.632 45.100 0.443 0.000 1.043 518 G HN 0.330 nan 8.290 nan 0.000 0.523 519 Y N -1.638 118.844 120.300 0.304 0.000 2.453 519 Y HA 0.774 5.324 4.550 -0.000 0.000 0.326 519 Y C -2.664 173.295 175.900 0.099 0.000 1.186 519 Y CA -3.286 54.949 58.100 0.225 0.000 1.200 519 Y CB 0.824 39.400 38.460 0.193 0.000 1.247 519 Y HN 0.257 nan 8.280 nan 0.000 0.482 520 P HA 0.383 nan 4.420 nan 0.000 0.279 520 P C -1.091 176.155 177.300 -0.089 0.000 1.252 520 P CA -0.471 62.642 63.100 0.022 0.000 0.811 520 P CB 1.104 32.849 31.700 0.075 0.000 1.035 521 M N -1.255 118.112 119.600 -0.389 0.000 2.575 521 M HA 0.782 5.262 4.480 -0.000 0.000 0.284 521 M C -0.742 175.277 176.300 -0.468 0.000 1.253 521 M CA -0.439 54.343 55.300 -0.864 0.000 0.861 521 M CB 1.740 33.373 32.600 -1.612 0.000 1.733 521 M HN 0.118 nan 8.290 nan 0.000 0.462 522 T N 0.955 115.369 114.554 -0.234 0.000 2.903 522 T HA 0.889 5.239 4.350 -0.000 0.000 0.299 522 T C -2.063 172.805 174.700 0.279 0.000 1.093 522 T CA -0.396 61.688 62.100 -0.026 0.000 1.002 522 T CB 1.127 69.940 68.868 -0.091 0.000 1.127 522 T HN 1.076 nan 8.240 nan 0.000 0.488 523 Y N -0.616 119.754 120.300 0.117 0.000 2.689 523 Y HA 0.736 5.286 4.550 -0.000 0.000 0.333 523 Y C -0.700 175.317 175.900 0.195 0.000 1.208 523 Y CA -1.155 57.051 58.100 0.177 0.000 1.055 523 Y CB 0.740 39.307 38.460 0.177 0.000 1.304 523 Y HN 0.681 nan 8.280 nan 0.000 0.455 524 T N -0.998 113.745 114.554 0.315 0.000 2.856 524 T HA 0.595 4.944 4.350 -0.000 0.000 0.283 524 T C -1.657 173.303 174.700 0.434 0.000 1.008 524 T CA -0.502 61.741 62.100 0.238 0.000 0.997 524 T CB 1.597 70.535 68.868 0.117 0.000 0.992 524 T HN 1.053 nan 8.240 nan 0.000 0.454 525 H N 0.924 120.194 119.070 0.333 0.000 3.108 525 H HA 0.379 4.935 4.556 -0.000 0.000 0.329 525 H C -0.457 174.997 175.328 0.210 0.000 0.978 525 H CA -0.585 55.641 56.048 0.296 0.000 1.413 525 H CB 0.630 30.607 29.762 0.358 0.000 1.670 525 H HN 0.869 nan 8.280 nan 0.000 0.512 526 K N 4.035 124.341 120.400 -0.158 0.000 3.125 526 K HA -0.233 4.087 4.320 -0.000 0.000 0.268 526 K C 0.923 177.526 176.600 0.006 0.000 1.078 526 K CA 0.914 57.142 56.287 -0.099 0.000 0.775 526 K CB -1.500 30.953 32.500 -0.077 0.000 1.253 526 K HN 1.196 nan 8.250 nan 0.000 0.486 527 G N -1.273 107.533 108.800 0.011 0.000 2.304 527 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.252 527 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.252 527 G C 0.280 175.165 174.900 -0.026 0.000 1.014 527 G CA 0.676 45.774 45.100 -0.003 0.000 0.619 527 G HN 0.363 nan 8.290 nan 0.000 0.525 528 T N 1.347 115.890 114.554 -0.017 0.000 2.856 528 T HA 0.525 4.875 4.350 -0.000 0.000 0.292 528 T C 0.155 174.668 174.700 -0.313 0.000 0.980 528 T CA 0.214 62.196 62.100 -0.195 0.000 1.091 528 T CB 1.761 70.460 68.868 -0.281 0.000 0.936 528 T HN 0.544 nan 8.240 nan 0.000 0.503 529 Q N 2.455 122.004 119.800 -0.418 0.000 2.257 529 Q HA 0.404 4.744 4.340 -0.000 0.000 0.255 529 Q C -1.606 174.003 176.000 -0.651 0.000 0.920 529 Q CA -0.566 55.006 55.803 -0.385 0.000 0.927 529 Q CB 0.599 29.191 28.738 -0.242 0.000 1.229 529 Q HN 0.655 nan 8.270 nan 0.000 0.433 530 Y N 1.238 121.251 120.300 -0.478 0.000 2.562 530 Y HA 0.610 5.160 4.550 -0.000 0.000 0.343 530 Y C -0.589 174.987 175.900 -0.540 0.000 1.025 530 Y CA -0.993 56.784 58.100 -0.538 0.000 1.082 530 Y CB 2.173 40.187 38.460 -0.744 0.000 1.264 530 Y HN 0.328 nan 8.280 nan 0.000 0.478 531 V N 1.918 121.708 119.914 -0.207 0.000 2.483 531 V HA 0.825 4.945 4.120 -0.000 0.000 0.297 531 V C -0.523 175.523 176.094 -0.081 0.000 1.027 531 V CA -0.807 61.335 62.300 -0.264 0.000 0.855 531 V CB 1.140 32.682 31.823 -0.468 0.000 0.995 531 V HN 0.886 nan 8.190 nan 0.000 0.424 532 A N 5.340 128.081 122.820 -0.131 0.000 2.356 532 A HA 1.005 5.325 4.320 -0.000 0.000 0.323 532 A C -0.978 176.515 177.584 -0.151 0.000 1.119 532 A CA -0.721 51.244 52.037 -0.121 0.000 0.790 532 A CB 1.698 20.592 19.000 -0.178 0.000 1.273 532 A HN 0.912 nan 8.150 nan 0.000 0.452 533 I N 0.027 120.541 120.570 -0.093 0.000 2.787 533 I HA 0.427 4.596 4.170 -0.000 0.000 0.294 533 I C -1.708 174.412 176.117 0.005 0.000 1.365 533 I CA -0.660 60.600 61.300 -0.066 0.000 1.029 533 I CB 1.489 39.559 38.000 0.117 0.000 1.313 533 I HN 0.692 nan 8.210 nan 0.000 0.431 534 Y N 5.404 125.727 120.300 0.039 0.000 2.300 534 Y HA 0.401 4.951 4.550 -0.000 0.000 0.328 534 Y C -0.304 175.658 175.900 0.104 0.000 1.270 534 Y CA -0.032 58.069 58.100 0.002 0.000 1.352 534 Y CB 0.722 39.189 38.460 0.012 0.000 1.286 534 Y HN 0.390 nan 8.280 nan 0.000 0.536 535 Y N -1.846 118.580 120.300 0.209 0.000 2.512 535 Y HA 0.840 5.390 4.550 -0.000 0.000 0.348 535 Y C -0.217 175.639 175.900 -0.073 0.000 0.990 535 Y CA -2.389 55.760 58.100 0.082 0.000 1.033 535 Y CB 1.906 40.393 38.460 0.045 0.000 1.259 535 Y HN 0.755 nan 8.280 nan 0.000 0.461 536 G N 1.524 110.418 108.800 0.156 0.000 2.492 536 G HA2 0.184 4.144 3.960 -0.000 0.000 0.283 536 G HA3 0.184 4.144 3.960 -0.000 0.000 0.283 536 G C -1.579 173.370 174.900 0.081 0.000 1.274 536 G CA -0.541 44.546 45.100 -0.022 0.000 1.215 536 G HN 1.045 nan 8.290 nan 0.000 0.598 537 V N 2.106 122.060 119.914 0.068 0.000 2.963 537 V HA 0.825 4.944 4.120 -0.000 0.000 0.306 537 V C 1.126 177.241 176.094 0.036 0.000 1.077 537 V CA 2.359 64.685 62.300 0.044 0.000 1.124 537 V CB 1.384 33.200 31.823 -0.012 0.000 0.987 537 V HN 2.333 nan 8.190 nan 0.000 0.487 538 G N 2.808 111.615 108.800 0.012 0.000 2.512 538 G HA2 0.599 4.559 3.960 -0.000 0.000 0.181 538 G HA3 0.599 4.559 3.960 -0.000 0.000 0.181 538 G C 0.201 175.115 174.900 0.022 0.000 1.173 538 G CA 0.180 45.302 45.100 0.036 0.000 0.988 538 G HN 2.156 nan 8.290 nan 0.000 0.485 539 G N -1.650 107.232 108.800 0.138 0.000 2.752 539 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.234 539 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.234 539 G C 0.837 175.839 174.900 0.170 0.000 1.367 539 G CA 0.855 46.078 45.100 0.206 0.000 0.879 539 G HN 1.771 nan 8.290 nan 0.000 0.563 540 W N 2.204 123.506 121.300 0.003 0.000 2.335 540 W HA -0.032 4.628 4.660 -0.000 0.000 0.311 540 W C 0.546 176.865 176.519 -0.333 0.000 1.213 540 W CA 3.235 60.546 57.345 -0.057 0.000 1.274 540 W CB -1.545 28.016 29.460 0.167 0.000 1.148 540 W HN 0.546 nan 8.180 nan 0.000 0.498 541 P HA -0.071 nan 4.420 nan 0.000 0.220 541 P C 1.421 178.229 177.300 -0.821 0.000 1.148 541 P CA 2.435 64.742 63.100 -1.323 0.000 0.803 541 P CB -0.489 29.977 31.700 -2.057 0.000 0.782 542 G N -0.470 108.071 108.800 -0.431 0.000 3.088 542 G HA2 0.058 4.018 3.960 -0.000 0.000 0.217 542 G HA3 0.058 4.018 3.960 -0.000 0.000 0.217 542 G C 1.484 176.382 174.900 -0.003 0.000 1.159 542 G CA -0.118 44.856 45.100 -0.210 0.000 0.760 542 G HN 0.071 nan 8.290 nan 0.000 0.550 543 V N 1.694 121.666 119.914 0.096 0.000 2.278 543 V HA -0.209 3.911 4.120 -0.000 0.000 0.251 543 V C 3.081 179.351 176.094 0.293 0.000 1.062 543 V CA 2.580 65.059 62.300 0.300 0.000 1.038 543 V CB -0.750 31.233 31.823 0.266 0.000 0.646 543 V HN 0.414 nan 8.190 nan 0.000 0.447 544 G N -0.869 108.021 108.800 0.151 0.000 2.440 544 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 544 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 544 G C 1.537 176.497 174.900 0.099 0.000 1.154 544 G CA 1.144 46.319 45.100 0.124 0.000 0.767 544 G HN 0.457 nan 8.290 nan 0.000 0.552 545 L N 0.599 121.854 121.223 0.054 0.000 2.109 545 L HA 0.105 4.444 4.340 -0.000 0.000 0.207 545 L C 2.842 179.704 176.870 -0.014 0.000 1.086 545 L CA 1.208 56.054 54.840 0.011 0.000 0.760 545 L CB -0.319 41.725 42.059 -0.024 0.000 0.910 545 L HN 0.082 nan 8.230 nan 0.000 0.437 546 V N -0.920 118.982 119.914 -0.021 0.000 2.323 546 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 546 V C 1.697 177.568 176.094 -0.371 0.000 1.041 546 V CA 1.694 63.859 62.300 -0.226 0.000 1.025 546 V CB -0.579 31.033 31.823 -0.351 0.000 0.656 546 V HN 0.335 nan 8.190 nan 0.000 0.451 547 F N -0.396 119.558 119.950 0.007 0.000 2.660 547 F HA 0.341 4.868 4.527 -0.000 0.000 0.302 547 F C 0.884 176.685 175.800 0.000 0.000 1.103 547 F CA -0.361 57.642 58.000 0.004 0.000 1.340 547 F CB -0.454 38.547 39.000 0.001 0.000 1.048 547 F HN 0.107 nan 8.300 nan 0.000 0.551 548 D N 2.242 122.709 120.400 0.111 0.000 2.812 548 D HA -0.202 4.438 4.640 -0.000 0.000 0.237 548 D C -0.638 175.710 176.300 0.080 0.000 1.162 548 D CA 0.481 54.522 54.000 0.069 0.000 0.740 548 D CB -0.682 40.141 40.800 0.038 0.000 1.000 548 D HN 0.244 nan 8.370 nan 0.000 0.416 549 L N -0.051 121.226 121.223 0.091 0.000 2.331 549 L HA 0.673 5.013 4.340 -0.000 0.000 0.275 549 L C 1.408 178.303 176.870 0.042 0.000 1.022 549 L CA -0.252 54.627 54.840 0.064 0.000 0.812 549 L CB 1.665 43.766 42.059 0.069 0.000 1.257 549 L HN 0.119 nan 8.230 nan 0.000 0.435 550 A N 0.370 123.204 122.820 0.024 0.000 2.026 550 A HA 0.048 4.368 4.320 -0.000 0.000 0.198 550 A C 0.561 178.148 177.584 0.005 0.000 1.390 550 A CA 0.017 52.061 52.037 0.012 0.000 0.915 550 A CB 0.093 19.096 19.000 0.005 0.000 0.974 550 A HN 0.716 nan 8.150 nan 0.000 0.477 551 D N 1.780 122.183 120.400 0.005 0.000 2.426 551 D HA 0.051 4.691 4.640 -0.000 0.000 0.261 551 D C -1.230 175.077 176.300 0.012 0.000 1.245 551 D CA -1.496 52.505 54.000 0.002 0.000 0.917 551 D CB 1.022 41.819 40.800 -0.004 0.000 1.123 551 D HN 0.156 nan 8.370 nan 0.000 0.508 552 P HA -0.173 nan 4.420 nan 0.000 0.220 552 P C 0.837 178.168 177.300 0.052 0.000 1.144 552 P CA 1.255 64.369 63.100 0.022 0.000 0.800 552 P CB -0.073 31.633 31.700 0.009 0.000 0.772 553 T N -4.242 110.338 114.554 0.042 0.000 3.086 553 T HA 0.477 4.827 4.350 -0.000 0.000 0.250 553 T C 1.012 175.735 174.700 0.038 0.000 1.074 553 T CA -0.169 61.962 62.100 0.050 0.000 0.988 553 T CB -0.266 68.622 68.868 0.033 0.000 0.988 553 T HN 0.076 nan 8.240 nan 0.000 0.530 554 A N 0.858 123.695 122.820 0.028 0.000 2.327 554 A HA 0.599 4.919 4.320 -0.000 0.000 0.255 554 A C 1.545 179.160 177.584 0.052 0.000 1.099 554 A CA 0.011 52.053 52.037 0.009 0.000 0.801 554 A CB -0.997 18.004 19.000 0.002 0.000 1.062 554 A HN 1.382 nan 8.150 nan 0.000 0.496 555 G N -1.092 107.719 108.800 0.017 0.000 2.338 555 G HA2 0.080 4.040 3.960 -0.000 0.000 0.296 555 G HA3 0.080 4.040 3.960 -0.000 0.000 0.296 555 G C 0.216 175.301 174.900 0.309 0.000 1.040 555 G CA 0.263 45.429 45.100 0.111 0.000 1.004 555 G HN 1.788 nan 8.290 nan 0.000 0.509 556 L N -2.492 118.820 121.223 0.148 0.000 3.781 556 L HA -0.172 4.168 4.340 -0.000 0.000 0.426 556 L C 2.166 179.273 176.870 0.396 0.000 1.197 556 L CA 2.345 57.327 54.840 0.237 0.000 0.907 556 L CB -1.647 40.616 42.059 0.340 0.000 1.812 556 L HN 2.233 nan 8.230 nan 0.000 0.956 557 G N -2.626 106.309 108.800 0.226 0.000 2.253 557 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.251 557 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.251 557 G C 1.138 176.117 174.900 0.132 0.000 0.998 557 G CA 0.855 46.062 45.100 0.179 0.000 0.621 557 G HN 1.223 nan 8.290 nan 0.000 0.524 558 A N 0.213 123.104 122.820 0.117 0.000 1.933 558 A HA 0.247 4.566 4.320 -0.000 0.000 0.218 558 A C 2.611 180.270 177.584 0.125 0.000 1.175 558 A CA 2.643 54.657 52.037 -0.039 0.000 0.628 558 A CB -0.589 18.185 19.000 -0.377 0.000 0.814 558 A HN 1.151 nan 8.150 nan 0.000 0.444 559 V N 0.026 120.013 119.914 0.121 0.000 2.250 559 V HA -0.319 3.800 4.120 -0.000 0.000 0.250 559 V C 2.830 178.979 176.094 0.091 0.000 1.060 559 V CA 2.346 64.712 62.300 0.110 0.000 1.030 559 V CB -1.535 30.335 31.823 0.078 0.000 0.643 559 V HN 0.627 nan 8.190 nan 0.000 0.445 560 G N -0.851 107.989 108.800 0.067 0.000 2.440 560 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 560 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 560 G C 1.759 176.670 174.900 0.020 0.000 1.154 560 G CA 1.114 46.219 45.100 0.008 0.000 0.767 560 G HN 0.678 nan 8.290 nan 0.000 0.552 561 A N 0.023 122.909 122.820 0.110 0.000 1.978 561 A HA 0.144 4.464 4.320 -0.000 0.000 0.220 561 A C 1.537 178.996 177.584 -0.208 0.000 1.170 561 A CA 1.001 53.055 52.037 0.029 0.000 0.636 561 A CB -0.356 18.547 19.000 -0.163 0.000 0.810 561 A HN 0.350 nan 8.150 nan 0.000 0.448 562 F N -0.297 119.701 119.950 0.080 0.000 2.850 562 F HA 0.195 4.722 4.527 -0.000 0.000 0.306 562 F C 1.639 177.458 175.800 0.031 0.000 1.162 562 F CA -0.064 57.965 58.000 0.047 0.000 1.327 562 F CB 0.298 39.231 39.000 -0.112 0.000 0.953 562 F HN 0.306 nan 8.300 nan 0.000 0.507 563 K N 0.067 120.534 120.400 0.111 0.000 2.211 563 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 563 K C 1.244 177.914 176.600 0.116 0.000 1.047 563 K CA 1.336 57.651 56.287 0.046 0.000 0.935 563 K CB -0.054 32.380 32.500 -0.111 0.000 0.728 563 K HN 0.070 nan 8.250 nan 0.000 0.452 564 K N 0.692 121.237 120.400 0.241 0.000 2.426 564 K HA 0.034 4.353 4.320 -0.000 0.000 0.193 564 K C 1.788 178.678 176.600 0.483 0.000 1.028 564 K CA 0.117 56.622 56.287 0.363 0.000 1.047 564 K CB -0.036 32.758 32.500 0.490 0.000 0.821 564 K HN 0.142 nan 8.250 nan 0.000 0.513 565 L N 1.634 123.011 121.223 0.256 0.000 2.079 565 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 565 L C 1.909 178.858 176.870 0.131 0.000 1.081 565 L CA 1.668 56.500 54.840 -0.013 0.000 0.752 565 L CB -0.619 41.293 42.059 -0.245 0.000 0.896 565 L HN 0.140 nan 8.230 nan 0.000 0.433 566 A N -1.260 121.617 122.820 0.095 0.000 2.239 566 A HA -0.102 4.218 4.320 -0.000 0.000 0.209 566 A C 1.726 179.322 177.584 0.020 0.000 1.171 566 A CA 1.280 53.346 52.037 0.047 0.000 0.768 566 A CB -0.970 18.043 19.000 0.022 0.000 0.790 566 A HN 0.737 nan 8.150 nan 0.000 0.478 567 N N -2.211 116.494 118.700 0.009 0.000 2.280 567 N HA 0.109 4.849 4.740 -0.000 0.000 0.192 567 N C 0.225 175.476 175.510 -0.432 0.000 1.109 567 N CA 0.396 53.300 53.050 -0.242 0.000 0.855 567 N CB 0.193 38.447 38.487 -0.388 0.000 0.974 567 N HN 0.620 nan 8.380 nan 0.000 0.482 568 Y N -0.832 119.540 120.300 0.120 0.000 2.423 568 Y HA 0.294 4.844 4.550 -0.000 0.000 0.257 568 Y C 0.701 176.635 175.900 0.056 0.000 1.087 568 Y CA -0.050 58.130 58.100 0.134 0.000 1.258 568 Y CB 1.247 39.881 38.460 0.290 0.000 1.237 568 Y HN -0.190 nan 8.280 nan 0.000 0.517 569 T N -0.402 114.243 114.554 0.151 0.000 2.802 569 T HA 0.479 4.829 4.350 -0.000 0.000 0.311 569 T C -1.788 172.920 174.700 0.013 0.000 1.405 569 T CA -0.607 61.527 62.100 0.057 0.000 1.016 569 T CB 1.654 70.558 68.868 0.060 0.000 1.352 569 T HN -0.151 nan 8.240 nan 0.000 0.498 570 Q N 1.055 120.849 119.800 -0.010 0.000 2.605 570 Q HA 0.517 4.857 4.340 -0.000 0.000 0.296 570 Q C -0.407 175.580 176.000 -0.021 0.000 1.056 570 Q CA -0.916 54.874 55.803 -0.021 0.000 0.778 570 Q CB 2.023 30.743 28.738 -0.029 0.000 1.497 570 Q HN 0.726 nan 8.270 nan 0.000 0.443 571 M N 0.078 119.662 119.600 -0.027 0.000 2.207 571 M HA 0.466 4.946 4.480 -0.000 0.000 0.311 571 M C 0.618 176.912 176.300 -0.011 0.000 1.127 571 M CA 0.565 55.852 55.300 -0.023 0.000 1.181 571 M CB 0.327 32.904 32.600 -0.038 0.000 1.409 571 M HN 0.804 nan 8.290 nan 0.000 0.461 572 G N -0.731 108.062 108.800 -0.010 0.000 2.488 572 G HA2 0.646 4.606 3.960 -0.000 0.000 0.301 572 G HA3 0.646 4.606 3.960 -0.000 0.000 0.301 572 G C -1.539 173.245 174.900 -0.192 0.000 1.339 572 G CA -0.223 44.895 45.100 0.031 0.000 0.803 572 G HN 0.957 nan 8.290 nan 0.000 0.482 573 G N -1.167 107.456 108.800 -0.295 0.000 1.985 573 G HA2 0.792 4.752 3.960 -0.000 0.000 0.303 573 G HA3 0.792 4.752 3.960 -0.000 0.000 0.303 573 G C -0.206 174.140 174.900 -0.924 0.000 1.730 573 G CA 0.810 45.268 45.100 -1.070 0.000 1.057 573 G HN 2.014 nan 8.290 nan 0.000 0.515 574 G N -0.840 107.111 108.800 -1.416 0.000 2.341 574 G HA2 0.688 4.647 3.960 -0.000 0.000 0.299 574 G HA3 0.688 4.647 3.960 -0.000 0.000 0.299 574 G C -1.774 172.720 174.900 -0.677 0.000 1.274 574 G CA 0.142 44.627 45.100 -1.024 0.000 0.853 574 G HN 1.284 nan 8.290 nan 0.000 0.493 575 V N -0.424 119.416 119.914 -0.123 0.000 2.735 575 V HA 0.755 4.875 4.120 -0.000 0.000 0.310 575 V C -0.387 175.740 176.094 0.054 0.000 1.061 575 V CA -0.784 61.545 62.300 0.050 0.000 0.913 575 V CB 1.654 33.502 31.823 0.041 0.000 1.005 575 V HN 0.733 nan 8.190 nan 0.000 0.428 576 V N 4.152 124.067 119.914 0.002 0.000 2.540 576 V HA 0.565 4.684 4.120 -0.000 0.000 0.302 576 V C -0.473 175.378 176.094 -0.406 0.000 1.035 576 V CA -0.591 61.588 62.300 -0.202 0.000 0.873 576 V CB 2.100 33.862 31.823 -0.102 0.000 0.992 576 V HN 0.632 nan 8.190 nan 0.000 0.428 577 V N 5.295 124.769 119.914 -0.733 0.000 2.448 577 V HA 0.567 4.687 4.120 -0.000 0.000 0.295 577 V C -0.724 175.059 176.094 -0.519 0.000 1.025 577 V CA -0.472 61.445 62.300 -0.638 0.000 0.859 577 V CB 1.442 32.567 31.823 -1.163 0.000 0.988 577 V HN 0.654 nan 8.190 nan 0.000 0.431 578 F N 2.458 122.281 119.950 -0.211 0.000 2.470 578 F HA 0.812 5.339 4.527 -0.000 0.000 0.329 578 F C 0.562 176.272 175.800 -0.149 0.000 1.072 578 F CA -0.443 57.456 58.000 -0.168 0.000 0.989 578 F CB 2.180 41.080 39.000 -0.167 0.000 1.193 578 F HN 0.545 nan 8.300 nan 0.000 0.481 579 S N 1.325 117.034 115.700 0.014 0.000 2.570 579 S HA 0.606 5.075 4.470 -0.000 0.000 0.270 579 S C -1.448 173.062 174.600 -0.149 0.000 1.149 579 S CA -0.951 57.135 58.200 -0.190 0.000 0.837 579 S CB 1.321 64.333 63.200 -0.314 0.000 1.124 579 S HN 0.450 nan 8.310 nan 0.000 0.465 580 L N 2.933 124.036 121.223 -0.200 0.000 2.584 580 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 580 L C 0.588 177.405 176.870 -0.088 0.000 1.195 580 L CA 1.608 56.361 54.840 -0.144 0.000 0.920 580 L CB -1.128 40.843 42.059 -0.147 0.000 1.173 580 L HN 0.891 nan 8.230 nan 0.000 0.489 581 D N 3.155 123.527 120.400 -0.048 0.000 3.079 581 D HA -0.227 4.413 4.640 -0.000 0.000 0.214 581 D C 1.155 177.459 176.300 0.007 0.000 1.145 581 D CA 1.212 55.207 54.000 -0.009 0.000 0.958 581 D CB -1.117 39.676 40.800 -0.012 0.000 1.117 581 D HN 1.100 nan 8.370 nan 0.000 0.416 582 G N 0.823 109.623 108.800 -0.000 0.000 2.155 582 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.257 582 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.257 582 G C 0.302 175.236 174.900 0.057 0.000 0.983 582 G CA 0.913 46.027 45.100 0.024 0.000 0.676 582 G HN 0.593 nan 8.290 nan 0.000 0.528 583 K N 0.488 120.903 120.400 0.025 0.000 2.524 583 K HA 0.443 4.763 4.320 -0.000 0.000 0.279 583 K C 0.891 177.578 176.600 0.145 0.000 0.993 583 K CA 0.987 57.302 56.287 0.046 0.000 1.030 583 K CB -0.067 32.420 32.500 -0.021 0.000 0.891 583 K HN 0.858 nan 8.250 nan 0.000 0.488 584 G N 3.425 112.327 108.800 0.169 0.000 2.489 584 G HA2 0.225 4.185 3.960 -0.000 0.000 0.305 584 G HA3 0.225 4.185 3.960 -0.000 0.000 0.305 584 G C -2.550 172.384 174.900 0.057 0.000 1.311 584 G CA -0.946 44.299 45.100 0.242 0.000 0.813 584 G HN 0.380 nan 8.290 nan 0.000 0.480 585 P HA -0.092 nan 4.420 nan 0.000 0.216 585 P C 0.525 177.565 177.300 -0.433 0.000 1.154 585 P CA 1.326 64.174 63.100 -0.420 0.000 0.865 585 P CB -0.011 31.169 31.700 -0.867 0.000 0.789 586 Y N -0.976 119.319 120.300 -0.008 0.000 2.537 586 Y HA 0.067 4.617 4.550 -0.000 0.000 0.303 586 Y C 1.500 177.413 175.900 0.022 0.000 1.176 586 Y CA -0.317 57.783 58.100 -0.001 0.000 1.273 586 Y CB -1.139 37.317 38.460 -0.007 0.000 1.110 586 Y HN -0.046 nan 8.280 nan 0.000 0.518 587 D N 0.188 120.652 120.400 0.106 0.000 2.263 587 D HA -0.153 4.486 4.640 -0.000 0.000 0.208 587 D C 0.293 176.640 176.300 0.079 0.000 0.971 587 D CA 1.317 55.369 54.000 0.088 0.000 0.867 587 D CB 0.040 40.876 40.800 0.060 0.000 0.929 587 D HN 0.341 nan 8.370 nan 0.000 0.492 588 D N 0.209 120.657 120.400 0.080 0.000 2.485 588 D HA 0.088 4.728 4.640 -0.000 0.000 0.229 588 D C -1.610 174.752 176.300 0.104 0.000 1.101 588 D CA -2.185 51.856 54.000 0.069 0.000 0.906 588 D CB 1.271 42.099 40.800 0.046 0.000 1.019 588 D HN -0.112 nan 8.370 nan 0.000 0.516 589 P HA -0.214 nan 4.420 nan 0.000 0.220 589 P C 0.513 177.858 177.300 0.074 0.000 1.142 589 P CA 0.922 64.073 63.100 0.085 0.000 0.801 589 P CB 0.376 32.105 31.700 0.050 0.000 0.764 590 N N -0.538 118.205 118.700 0.072 0.000 2.415 590 N HA 0.016 4.756 4.740 -0.000 0.000 0.176 590 N C 0.426 175.982 175.510 0.077 0.000 1.042 590 N CA 0.170 53.254 53.050 0.057 0.000 0.902 590 N CB 0.174 38.683 38.487 0.036 0.000 0.986 590 N HN 0.079 nan 8.380 nan 0.000 0.447 591 V N 0.995 120.980 119.914 0.118 0.000 2.599 591 V HA 0.137 4.257 4.120 -0.000 0.000 0.300 591 V C 1.518 177.739 176.094 0.211 0.000 1.034 591 V CA 0.966 63.348 62.300 0.136 0.000 1.115 591 V CB 0.437 32.328 31.823 0.113 0.000 0.934 591 V HN 0.590 nan 8.190 nan 0.000 0.485 592 G N 3.058 111.945 108.800 0.144 0.000 2.199 592 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.254 592 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.254 592 G C 0.154 175.096 174.900 0.069 0.000 0.982 592 G CA 0.087 45.265 45.100 0.130 0.000 0.632 592 G HN 0.630 nan 8.290 nan 0.000 0.529 593 E N -0.937 119.303 120.200 0.065 0.000 2.371 593 E HA 0.357 4.707 4.350 -0.000 0.000 0.257 593 E C -0.135 176.542 176.600 0.128 0.000 1.134 593 E CA -0.684 55.766 56.400 0.083 0.000 0.919 593 E CB 0.698 30.437 29.700 0.066 0.000 1.025 593 E HN 0.342 nan 8.360 nan 0.000 0.438 594 W N 2.718 124.010 121.300 -0.013 0.000 2.331 594 W HA 0.186 4.846 4.660 -0.000 0.000 0.306 594 W C -0.216 176.300 176.519 -0.005 0.000 1.162 594 W CA -0.281 57.059 57.345 -0.008 0.000 1.232 594 W CB 0.317 29.770 29.460 -0.011 0.000 1.235 594 W HN 0.335 nan 8.180 nan 0.000 0.479 595 K N 0.000 119.996 120.400 -0.673 0.000 2.780 595 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 595 K CA 0.000 55.902 56.287 -0.641 0.000 0.838 595 K CB 0.000 32.313 32.500 -0.311 0.000 1.064 595 K HN 0.000 nan 8.250 nan 0.000 0.543