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 2vtf_1_B DATA FIRST_RESID 2 DATA SEQUENCE TYNGPLSSHW FPEELAQWEP DSDPDAPFNR SHVPLEPGRV ADRVNANADT DATA SEQUENCE DAHLVSLSAL NRHTSGVPSQ GAPVFYENTF SYWHYTDLMV YWAGSAGEGI DATA SEQUENCE IVPPSADVID ASHRNGVPIL GNVFFPPTVY GGQLEWLEQM LEQEEDGSFP DATA SEQUENCE LADKLLEVAD YYGFDGWFIN QQTEGADEGT AEAMQAFLVY LQEQKPEGMH DATA SEQUENCE IMWYDSMIDT GAIAWQNHLT DRNKMYLQNG STRVADSMFL NFWWRDQRQS DATA SEQUENCE NELAQALGRS PYDLYAGVDV EARGTSTPVQ WEGLFPEGEK AHTSLGLYRP DATA SEQUENCE DWAFQSSETM EAFYEKELQF WVGSTGNPAE TDGQSNWPGM AHWFPAKSTA DATA SEQUENCE TSVPFVTHFN TGSGAQFSAE GKTVSEQEWN NRSLQDVLPT WRWIQHGGDL DATA SEQUENCE EATFSWEEAF EGGSSLQWHG SLAEGEHAQI ELYQTELPIS EGTSLTWTFK DATA SEQUENCE SEHGNDLNVG FRLDGEEDFR YVEGEQRESI NGWTQWTLPL DAFAGQTITG DATA SEQUENCE LAFAAEGNET GLAEFYIGQL AVGADSEKPA APNVNVRQYD PDPSGIQLVW DATA SEQUENCE EKQSNVHHYR VYKEXXKELI GTSAGDRIYL EGLVEESKQN DVRLHIEALS DATA SEQUENCE ETFVPSDARM IDIKSGSF 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.783 174.700 0.138 0.000 1.109 2 T CA 0.000 62.159 62.100 0.098 0.000 1.349 2 T CB 0.000 68.909 68.868 0.068 0.000 0.612 3 Y N 2.418 122.733 120.300 0.024 0.000 2.316 3 Y HA 0.543 5.093 4.550 0.000 0.000 0.331 3 Y C 0.770 176.672 175.900 0.003 0.000 1.083 3 Y CA -0.243 57.870 58.100 0.022 0.000 1.206 3 Y CB 0.901 39.363 38.460 0.005 0.000 1.195 3 Y HN 0.489 nan 8.280 nan 0.000 0.497 4 N N 2.811 121.127 118.700 -0.640 0.000 2.204 4 N HA 0.217 4.958 4.740 0.000 0.000 0.219 4 N C 0.301 175.377 175.510 -0.724 0.000 1.151 4 N CA -0.123 52.658 53.050 -0.448 0.000 0.867 4 N CB 0.726 39.126 38.487 -0.144 0.000 1.043 4 N HN 0.758 nan 8.380 nan 0.000 0.516 5 G N 1.199 109.017 108.800 -1.637 0.000 2.543 5 G HA2 0.343 4.303 3.960 0.000 0.000 0.290 5 G HA3 0.343 4.303 3.960 0.000 0.000 0.290 5 G C -2.512 171.853 174.900 -0.892 0.000 1.310 5 G CA -1.072 42.919 45.100 -1.848 0.000 1.025 5 G HN -0.118 nan 8.290 nan 0.000 0.502 6 P HA 0.291 nan 4.420 nan 0.000 0.271 6 P C -0.658 176.542 177.300 -0.166 0.000 1.218 6 P CA 0.033 62.846 63.100 -0.478 0.000 0.780 6 P CB 1.139 32.336 31.700 -0.838 0.000 0.901 7 L N 0.565 121.758 121.223 -0.051 0.000 2.354 7 L HA 0.407 4.747 4.340 0.000 0.000 0.264 7 L C 0.828 177.680 176.870 -0.030 0.000 1.008 7 L CA -1.061 53.776 54.840 -0.005 0.000 0.819 7 L CB 1.913 43.990 42.059 0.031 0.000 1.339 7 L HN 0.297 nan 8.230 nan 0.000 0.420 8 S N 0.387 116.058 115.700 -0.048 0.000 2.568 8 S HA 0.164 4.634 4.470 0.000 0.000 0.282 8 S C 0.152 174.657 174.600 -0.160 0.000 1.338 8 S CA -0.390 57.736 58.200 -0.122 0.000 1.045 8 S CB 0.509 63.636 63.200 -0.122 0.000 0.873 8 S HN 0.578 nan 8.310 nan 0.000 0.516 9 S N 2.536 118.056 115.700 -0.301 0.000 2.603 9 S HA 0.480 4.950 4.470 0.000 0.000 0.268 9 S C -0.690 173.459 174.600 -0.752 0.000 1.317 9 S CA -0.400 57.416 58.200 -0.638 0.000 1.012 9 S CB 0.324 63.054 63.200 -0.784 0.000 0.926 9 S HN 0.913 nan 8.310 nan 0.000 0.539 10 H N -1.927 116.523 119.070 -1.033 0.000 3.094 10 H HA 0.617 5.173 4.556 0.000 0.000 0.346 10 H C -2.045 172.784 175.328 -0.832 0.000 1.238 10 H CA -0.992 54.565 56.048 -0.819 0.000 1.209 10 H CB 0.513 30.016 29.762 -0.433 0.000 1.911 10 H HN 0.506 nan 8.280 nan 0.000 0.540 11 W N 2.024 123.232 121.300 -0.154 0.000 3.107 11 W HA 0.469 5.129 4.660 0.000 0.000 0.331 11 W C -1.385 174.879 176.519 -0.425 0.000 1.204 11 W CA -1.099 56.129 57.345 -0.196 0.000 1.184 11 W CB 1.730 31.108 29.460 -0.136 0.000 1.421 11 W HN 0.450 nan 8.180 nan 0.000 0.544 12 F N 1.654 121.660 119.950 0.092 0.000 2.378 12 F HA 0.286 4.813 4.527 0.000 0.000 0.325 12 F C -1.108 174.673 175.800 -0.031 0.000 1.097 12 F CA -1.902 56.011 58.000 -0.146 0.000 1.079 12 F CB 0.027 38.890 39.000 -0.229 0.000 1.240 12 F HN -0.024 nan 8.300 nan 0.000 0.519 13 P HA -0.196 nan 4.420 nan 0.000 0.216 13 P C 1.105 178.478 177.300 0.122 0.000 1.153 13 P CA 1.848 65.013 63.100 0.107 0.000 0.858 13 P CB 0.115 31.919 31.700 0.174 0.000 0.789 14 E N -0.356 119.947 120.200 0.171 0.000 2.110 14 E HA -0.210 4.141 4.350 0.000 0.000 0.193 14 E C 1.932 178.609 176.600 0.129 0.000 0.988 14 E CA 1.111 57.596 56.400 0.143 0.000 0.804 14 E CB -0.332 29.459 29.700 0.152 0.000 0.745 14 E HN 0.481 nan 8.360 nan 0.000 0.458 15 E N 0.683 120.992 120.200 0.182 0.000 2.047 15 E HA -0.173 4.178 4.350 0.000 0.000 0.191 15 E C 2.140 178.765 176.600 0.042 0.000 0.987 15 E CA 0.569 57.091 56.400 0.203 0.000 0.799 15 E CB -0.098 29.834 29.700 0.386 0.000 0.752 15 E HN 0.070 nan 8.360 nan 0.000 0.449 16 L N 1.272 122.423 121.223 -0.121 0.000 2.079 16 L HA -0.130 4.210 4.340 0.000 0.000 0.210 16 L C 2.210 178.971 176.870 -0.181 0.000 1.081 16 L CA 1.942 56.511 54.840 -0.452 0.000 0.752 16 L CB -0.617 41.190 42.059 -0.421 0.000 0.896 16 L HN 0.065 nan 8.230 nan 0.000 0.433 17 A N -1.244 121.546 122.820 -0.051 0.000 2.024 17 A HA -0.192 4.128 4.320 0.000 0.000 0.220 17 A C 2.209 179.797 177.584 0.007 0.000 1.164 17 A CA 2.097 54.132 52.037 -0.004 0.000 0.643 17 A CB -0.878 18.141 19.000 0.032 0.000 0.806 17 A HN 0.622 nan 8.150 nan 0.000 0.451 18 Q N -2.221 117.592 119.800 0.023 0.000 2.282 18 Q HA 0.196 4.536 4.340 0.000 0.000 0.206 18 Q C 0.577 176.596 176.000 0.032 0.000 0.878 18 Q CA 0.126 55.945 55.803 0.027 0.000 0.944 18 Q CB -0.776 27.989 28.738 0.045 0.000 1.100 18 Q HN 0.799 nan 8.270 nan 0.000 0.509 19 W N 1.559 122.749 121.300 -0.183 0.000 2.253 19 W HA 0.407 5.067 4.660 0.000 0.000 0.322 19 W C -0.767 175.645 176.519 -0.178 0.000 1.342 19 W CA 0.443 57.669 57.345 -0.197 0.000 1.218 19 W CB 0.922 30.121 29.460 -0.434 0.000 1.205 19 W HN 0.045 nan 8.180 nan 0.000 0.551 20 E N 6.673 126.347 120.200 -0.877 0.000 2.292 20 E HA 0.189 4.539 4.350 0.000 0.000 0.272 20 E C -1.803 173.929 176.600 -1.446 0.000 0.881 20 E CA -1.400 54.385 56.400 -1.024 0.000 0.754 20 E CB 1.747 31.149 29.700 -0.497 0.000 1.201 20 E HN 0.469 nan 8.360 nan 0.000 0.425 21 P HA -0.107 nan 4.420 nan 0.000 0.217 21 P C 0.689 177.639 177.300 -0.584 0.000 1.150 21 P CA 1.043 63.395 63.100 -1.246 0.000 0.832 21 P CB 0.312 31.020 31.700 -1.652 0.000 0.787 22 D N -0.284 119.841 120.400 -0.459 0.000 2.310 22 D HA -0.076 4.564 4.640 0.000 0.000 0.212 22 D C 1.811 178.005 176.300 -0.177 0.000 0.965 22 D CA 1.270 55.131 54.000 -0.231 0.000 0.879 22 D CB -0.232 40.462 40.800 -0.177 0.000 0.921 22 D HN 0.283 nan 8.370 nan 0.000 0.510 23 S N -0.923 114.632 115.700 -0.242 0.000 2.540 23 S HA 0.009 4.479 4.470 0.000 0.000 0.218 23 S C 0.374 174.922 174.600 -0.086 0.000 0.977 23 S CA -0.507 57.604 58.200 -0.148 0.000 0.918 23 S CB 0.587 63.695 63.200 -0.153 0.000 0.806 23 S HN -0.077 nan 8.310 nan 0.000 0.496 24 D N 2.509 122.856 120.400 -0.088 0.000 2.392 24 D HA 0.375 5.015 4.640 0.000 0.000 0.228 24 D C -1.898 174.506 176.300 0.174 0.000 1.074 24 D CA -2.382 51.674 54.000 0.093 0.000 0.838 24 D CB 2.048 42.995 40.800 0.244 0.000 1.067 24 D HN -0.023 nan 8.370 nan 0.000 0.511 25 P HA -0.017 nan 4.420 nan 0.000 0.226 25 P C 0.262 177.844 177.300 0.471 0.000 1.153 25 P CA 0.595 63.837 63.100 0.237 0.000 0.777 25 P CB 0.621 32.371 31.700 0.084 0.000 0.794 26 D N -0.552 120.111 120.400 0.439 0.000 2.333 26 D HA 0.085 4.725 4.640 0.000 0.000 0.208 26 D C 2.040 178.685 176.300 0.575 0.000 0.984 26 D CA 0.580 54.896 54.000 0.526 0.000 0.873 26 D CB -0.534 40.447 40.800 0.301 0.000 0.935 26 D HN 0.006 nan 8.370 nan 0.000 0.521 27 A N 1.878 125.037 122.820 0.564 0.000 1.903 27 A HA -0.168 4.152 4.320 0.000 0.000 0.219 27 A C -0.209 177.782 177.584 0.678 0.000 1.191 27 A CA 1.502 53.993 52.037 0.757 0.000 0.638 27 A CB -1.545 17.845 19.000 0.650 0.000 0.823 27 A HN 0.187 nan 8.150 nan 0.000 0.451 28 P HA -0.102 nan 4.420 nan 0.000 0.218 28 P C 0.860 178.130 177.300 -0.050 0.000 1.149 28 P CA 0.979 64.144 63.100 0.109 0.000 0.817 28 P CB -0.179 31.419 31.700 -0.171 0.000 0.785 29 F N -1.101 118.926 119.950 0.129 0.000 2.456 29 F HA 0.008 4.536 4.527 0.000 0.000 0.298 29 F C 1.782 177.579 175.800 -0.006 0.000 1.104 29 F CA 0.716 58.739 58.000 0.038 0.000 1.435 29 F CB -0.810 38.190 39.000 0.000 0.000 1.078 29 F HN -0.081 nan 8.300 nan 0.000 0.546 30 N N 0.324 119.105 118.700 0.136 0.000 2.412 30 N HA 0.029 4.770 4.740 0.000 0.000 0.184 30 N C 0.121 175.446 175.510 -0.308 0.000 1.101 30 N CA 0.186 53.106 53.050 -0.216 0.000 0.881 30 N CB 0.006 38.153 38.487 -0.568 0.000 0.969 30 N HN 0.197 nan 8.380 nan 0.000 0.459 31 R N 0.773 121.254 120.500 -0.032 0.000 2.389 31 R HA 0.161 4.501 4.340 0.000 0.000 0.295 31 R C 0.350 176.581 176.300 -0.115 0.000 1.075 31 R CA -0.083 55.976 56.100 -0.069 0.000 1.005 31 R CB 0.802 30.949 30.300 -0.254 0.000 0.987 31 R HN -0.080 nan 8.270 nan 0.000 0.452 32 S N 1.531 117.160 115.700 -0.117 0.000 2.528 32 S HA 0.067 4.538 4.470 0.000 0.000 0.277 32 S C -0.027 174.462 174.600 -0.185 0.000 1.297 32 S CA -0.523 57.632 58.200 -0.075 0.000 1.052 32 S CB 0.365 63.527 63.200 -0.063 0.000 0.917 32 S HN 0.637 nan 8.310 nan 0.000 0.492 33 H N 2.480 121.557 119.070 0.012 0.000 2.469 33 H HA 0.392 4.948 4.556 0.000 0.000 0.286 33 H C -0.781 174.577 175.328 0.050 0.000 1.106 33 H CA -0.128 55.938 56.048 0.029 0.000 1.055 33 H CB 0.502 30.284 29.762 0.034 0.000 1.618 33 H HN 0.282 nan 8.280 nan 0.000 0.559 34 V N 3.734 123.732 119.914 0.140 0.000 2.325 34 V HA 0.259 4.379 4.120 0.000 0.000 0.280 34 V C -2.215 173.998 176.094 0.198 0.000 1.016 34 V CA -1.904 60.475 62.300 0.132 0.000 0.818 34 V CB 1.665 33.544 31.823 0.093 0.000 1.019 34 V HN 0.160 nan 8.190 nan 0.000 0.434 35 P HA 0.129 nan 4.420 nan 0.000 0.272 35 P C -0.236 176.974 177.300 -0.150 0.000 1.230 35 P CA -0.507 62.611 63.100 0.030 0.000 0.788 35 P CB 1.073 32.770 31.700 -0.004 0.000 0.949 36 L N 1.669 122.552 121.223 -0.568 0.000 2.615 36 L HA 0.033 4.373 4.340 0.000 0.000 0.271 36 L C 0.470 177.196 176.870 -0.240 0.000 1.183 36 L CA 0.221 54.651 54.840 -0.682 0.000 0.933 36 L CB -1.031 40.609 42.059 -0.699 0.000 1.199 36 L HN 0.278 nan 8.230 nan 0.000 0.487 37 E N 7.889 128.007 120.200 -0.136 0.000 2.299 37 E HA 0.259 4.609 4.350 0.000 0.000 0.272 37 E C -2.341 174.228 176.600 -0.052 0.000 1.043 37 E CA -1.455 54.908 56.400 -0.061 0.000 0.895 37 E CB 0.428 30.113 29.700 -0.026 0.000 1.011 37 E HN 0.476 nan 8.360 nan 0.000 0.432 38 P HA 0.304 nan 4.420 nan 0.000 0.280 38 P C -0.010 177.285 177.300 -0.009 0.000 1.272 38 P CA -0.171 62.916 63.100 -0.021 0.000 0.819 38 P CB 1.117 32.807 31.700 -0.016 0.000 1.122 39 G N 0.445 109.245 108.800 0.001 0.000 2.198 39 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 39 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 39 G C 0.172 175.072 174.900 0.000 0.000 1.042 39 G CA -0.248 44.854 45.100 0.004 0.000 0.791 39 G HN 0.650 nan 8.290 nan 0.000 0.502 40 R N -0.882 119.621 120.500 0.006 0.000 2.678 40 R HA 0.329 4.669 4.340 0.000 0.000 0.264 40 R C 0.944 177.248 176.300 0.007 0.000 0.995 40 R CA 0.646 56.748 56.100 0.003 0.000 1.098 40 R CB 0.504 30.819 30.300 0.026 0.000 0.949 40 R HN 0.776 nan 8.270 nan 0.000 0.422 41 V N -1.154 118.754 119.914 -0.011 0.000 2.667 41 V HA 0.820 4.940 4.120 0.000 0.000 0.308 41 V C 0.019 176.122 176.094 0.015 0.000 1.048 41 V CA -1.135 61.164 62.300 -0.001 0.000 0.928 41 V CB 1.772 33.580 31.823 -0.025 0.000 1.004 41 V HN 0.858 nan 8.190 nan 0.000 0.444 42 A N 2.886 125.734 122.820 0.047 0.000 2.295 42 A HA 0.747 5.067 4.320 0.000 0.000 0.318 42 A C -0.087 177.558 177.584 0.103 0.000 1.134 42 A CA -0.351 51.736 52.037 0.084 0.000 0.827 42 A CB 0.758 19.825 19.000 0.111 0.000 1.136 42 A HN 1.168 nan 8.150 nan 0.000 0.493 43 D N 0.105 120.599 120.400 0.157 0.000 2.433 43 D HA 0.431 5.071 4.640 0.000 0.000 0.255 43 D C 0.271 176.697 176.300 0.211 0.000 1.226 43 D CA -0.544 53.612 54.000 0.260 0.000 1.015 43 D CB 0.654 41.744 40.800 0.484 0.000 1.091 43 D HN 0.141 nan 8.370 nan 0.000 0.527 44 R N -0.788 119.832 120.500 0.200 0.000 2.582 44 R HA 0.232 4.572 4.340 0.000 0.000 0.453 44 R C 1.356 177.697 176.300 0.068 0.000 0.969 44 R CA 0.400 56.565 56.100 0.108 0.000 1.113 44 R CB -0.783 29.555 30.300 0.065 0.000 1.507 44 R HN 0.534 nan 8.270 nan 0.000 0.587 45 V N -2.291 117.679 119.914 0.094 0.000 2.719 45 V HA 0.221 4.341 4.120 0.000 0.000 0.252 45 V C 0.791 176.869 176.094 -0.025 0.000 1.065 45 V CA 1.034 63.325 62.300 -0.015 0.000 1.086 45 V CB -0.251 31.489 31.823 -0.139 0.000 0.700 45 V HN 0.324 nan 8.190 nan 0.000 0.467 46 N N 0.840 119.541 118.700 0.002 0.000 2.437 46 N HA 0.446 5.187 4.740 0.000 0.000 0.259 46 N C 1.032 176.478 175.510 -0.107 0.000 0.983 46 N CA 0.588 53.599 53.050 -0.064 0.000 0.937 46 N CB 1.862 40.301 38.487 -0.081 0.000 1.122 46 N HN 0.326 nan 8.380 nan 0.000 0.499 47 A N 3.918 126.666 122.820 -0.121 0.000 2.024 47 A HA -0.198 4.123 4.320 0.000 0.000 0.220 47 A C 1.851 179.323 177.584 -0.186 0.000 1.164 47 A CA 1.508 53.470 52.037 -0.124 0.000 0.643 47 A CB -0.328 18.610 19.000 -0.103 0.000 0.806 47 A HN 0.775 nan 8.150 nan 0.000 0.451 48 N N -0.286 118.230 118.700 -0.307 0.000 2.376 48 N HA 0.159 4.899 4.740 0.000 0.000 0.177 48 N C 0.713 175.971 175.510 -0.421 0.000 1.024 48 N CA 0.761 53.541 53.050 -0.449 0.000 0.893 48 N CB -0.317 37.638 38.487 -0.886 0.000 0.980 48 N HN 0.398 nan 8.380 nan 0.000 0.439 49 A N -0.131 122.473 122.820 -0.361 0.000 2.483 49 A HA 0.284 4.604 4.320 0.000 0.000 0.238 49 A C -0.118 177.371 177.584 -0.158 0.000 1.070 49 A CA 0.150 52.028 52.037 -0.267 0.000 0.770 49 A CB 0.142 19.062 19.000 -0.133 0.000 1.008 49 A HN 0.401 nan 8.150 nan 0.000 0.497 50 D N -1.308 119.006 120.400 -0.143 0.000 2.610 50 D HA 0.478 5.118 4.640 0.000 0.000 0.271 50 D C 0.646 176.914 176.300 -0.054 0.000 1.174 50 D CA 0.502 54.449 54.000 -0.087 0.000 0.949 50 D CB 1.702 42.445 40.800 -0.096 0.000 1.430 50 D HN 0.469 nan 8.370 nan 0.000 0.467 51 T N -2.401 112.130 114.554 -0.040 0.000 3.105 51 T HA 0.199 4.549 4.350 0.000 0.000 0.253 51 T C 0.439 175.088 174.700 -0.085 0.000 1.047 51 T CA -0.073 62.029 62.100 0.002 0.000 0.944 51 T CB 0.217 69.106 68.868 0.034 0.000 1.016 51 T HN 0.141 nan 8.240 nan 0.000 0.544 52 D N 2.384 122.634 120.400 -0.251 0.000 2.202 52 D HA 0.223 4.863 4.640 0.000 0.000 0.214 52 D C 1.273 176.939 176.300 -1.058 0.000 0.967 52 D CA 0.550 54.168 54.000 -0.637 0.000 0.871 52 D CB -0.285 40.080 40.800 -0.725 0.000 1.020 52 D HN 0.586 nan 8.370 nan 0.000 0.474 53 A N 1.551 123.966 122.820 -0.675 0.000 2.407 53 A HA 0.267 4.587 4.320 0.000 0.000 0.248 53 A C -0.008 177.566 177.584 -0.018 0.000 1.082 53 A CA -0.110 51.698 52.037 -0.381 0.000 0.785 53 A CB 0.227 19.259 19.000 0.052 0.000 1.020 53 A HN 0.168 nan 8.150 nan 0.000 0.489 54 H N -0.083 119.204 119.070 0.363 0.000 2.693 54 H HA 0.687 5.244 4.556 0.001 0.000 0.348 54 H C -1.006 174.585 175.328 0.438 0.000 1.222 54 H CA -0.926 55.382 56.048 0.433 0.000 1.270 54 H CB 1.498 31.501 29.762 0.402 0.000 1.798 54 H HN 0.603 nan 8.280 nan 0.000 0.592 55 L N 1.140 122.615 121.223 0.420 0.000 2.409 55 L HA 0.431 4.771 4.340 0.000 0.000 0.272 55 L C -1.174 175.905 176.870 0.348 0.000 0.980 55 L CA -0.779 54.195 54.840 0.223 0.000 0.826 55 L CB 1.702 43.553 42.059 -0.346 0.000 1.268 55 L HN 0.332 nan 8.230 nan 0.000 0.407 56 V N 3.993 124.130 119.914 0.371 0.000 2.513 56 V HA 0.628 4.748 4.120 0.000 0.000 0.299 56 V C -0.400 175.845 176.094 0.252 0.000 1.035 56 V CA -0.081 62.323 62.300 0.173 0.000 0.889 56 V CB 2.170 33.926 31.823 -0.112 0.000 0.988 56 V HN 0.828 nan 8.190 nan 0.000 0.440 57 S N 6.068 121.873 115.700 0.175 0.000 2.449 57 S HA 0.677 5.147 4.470 0.000 0.000 0.310 57 S C -1.033 173.557 174.600 -0.017 0.000 1.096 57 S CA -0.609 57.667 58.200 0.128 0.000 1.095 57 S CB 1.057 64.315 63.200 0.096 0.000 1.007 57 S HN 0.588 nan 8.310 nan 0.000 0.474 58 L N 4.806 125.984 121.223 -0.075 0.000 2.287 58 L HA 0.477 4.818 4.340 0.000 0.000 0.280 58 L C -0.172 176.495 176.870 -0.338 0.000 1.055 58 L CA 0.288 54.993 54.840 -0.225 0.000 0.863 58 L CB 0.717 42.563 42.059 -0.354 0.000 1.245 58 L HN 0.565 nan 8.230 nan 0.000 0.432 59 S N 1.641 117.180 115.700 -0.268 0.000 2.473 59 S HA 0.692 5.162 4.470 0.000 0.000 0.307 59 S C 0.270 174.694 174.600 -0.293 0.000 1.094 59 S CA -0.736 57.257 58.200 -0.344 0.000 1.070 59 S CB 1.834 64.773 63.200 -0.434 0.000 1.019 59 S HN 0.547 nan 8.310 nan 0.000 0.480 60 A N 3.632 126.268 122.820 -0.307 0.000 2.906 60 A HA 0.321 4.641 4.320 0.000 0.000 0.289 60 A C 1.028 178.386 177.584 -0.376 0.000 1.675 60 A CA -0.292 51.558 52.037 -0.311 0.000 1.372 60 A CB -0.932 17.930 19.000 -0.230 0.000 1.091 60 A HN 0.938 nan 8.150 nan 0.000 0.579 61 L N 0.442 121.419 121.223 -0.410 0.000 2.191 61 L HA -0.121 4.219 4.340 0.000 0.000 0.212 61 L C 0.499 177.175 176.870 -0.323 0.000 1.103 61 L CA 0.955 55.605 54.840 -0.316 0.000 0.769 61 L CB -0.300 41.687 42.059 -0.120 0.000 0.908 61 L HN 0.652 nan 8.230 nan 0.000 0.438 62 N N -1.076 117.414 118.700 -0.351 0.000 2.342 62 N HA 0.201 4.941 4.740 0.000 0.000 0.293 62 N C 0.555 175.884 175.510 -0.302 0.000 1.026 62 N CA -0.479 52.411 53.050 -0.267 0.000 0.857 62 N CB 1.736 40.154 38.487 -0.115 0.000 1.256 62 N HN -0.072 nan 8.380 nan 0.000 0.484 63 R N 1.221 121.545 120.500 -0.293 0.000 2.115 63 R HA -0.025 4.315 4.340 0.000 0.000 0.230 63 R C -0.155 175.836 176.300 -0.514 0.000 1.111 63 R CA 1.138 57.004 56.100 -0.391 0.000 0.976 63 R CB 0.088 30.142 30.300 -0.410 0.000 0.870 63 R HN 0.610 nan 8.270 nan 0.000 0.445 64 H N -1.130 117.873 119.070 -0.112 0.000 2.573 64 H HA 0.174 4.731 4.556 0.000 0.000 0.351 64 H C 0.468 175.707 175.328 -0.147 0.000 1.163 64 H CA -0.469 55.508 56.048 -0.118 0.000 1.205 64 H CB 2.296 32.006 29.762 -0.087 0.000 1.605 64 H HN -0.069 nan 8.280 nan 0.000 0.525 65 T N 1.131 115.652 114.554 -0.055 0.000 2.809 65 T HA -0.046 4.304 4.350 0.000 0.000 0.260 65 T C 1.133 175.696 174.700 -0.227 0.000 1.039 65 T CA 1.077 63.078 62.100 -0.165 0.000 1.141 65 T CB 0.055 68.762 68.868 -0.267 0.000 0.869 65 T HN 0.660 nan 8.240 nan 0.000 0.437 66 S N -0.394 115.132 115.700 -0.290 0.000 2.672 66 S HA 0.546 5.016 4.470 0.000 0.000 0.276 66 S C 1.283 175.865 174.600 -0.030 0.000 1.207 66 S CA -0.059 57.991 58.200 -0.250 0.000 1.002 66 S CB 1.231 64.259 63.200 -0.287 0.000 0.998 66 S HN 0.723 nan 8.310 nan 0.000 0.542 67 G N -0.486 108.347 108.800 0.054 0.000 2.148 67 G HA2 -0.219 3.741 3.960 0.000 0.000 0.254 67 G HA3 -0.219 3.741 3.960 0.000 0.000 0.254 67 G C -0.039 174.889 174.900 0.047 0.000 0.981 67 G CA 0.053 45.185 45.100 0.053 0.000 0.670 67 G HN 1.171 nan 8.290 nan 0.000 0.528 68 V N 2.181 122.120 119.914 0.042 0.000 2.408 68 V HA 0.338 4.458 4.120 0.000 0.000 0.267 68 V C -1.333 174.762 176.094 0.002 0.000 1.047 68 V CA -1.335 60.974 62.300 0.015 0.000 0.937 68 V CB 1.199 33.035 31.823 0.021 0.000 0.999 68 V HN 0.108 nan 8.190 nan 0.000 0.472 69 P HA 0.108 nan 4.420 nan 0.000 0.267 69 P C 0.841 178.127 177.300 -0.024 0.000 1.200 69 P CA 0.242 63.320 63.100 -0.037 0.000 0.772 69 P CB 0.632 32.215 31.700 -0.195 0.000 0.855 70 S N 1.250 116.941 115.700 -0.015 0.000 2.382 70 S HA -0.168 4.302 4.470 0.000 0.000 0.228 70 S C 0.888 175.496 174.600 0.013 0.000 1.027 70 S CA 1.443 59.639 58.200 -0.008 0.000 0.991 70 S CB -0.326 62.897 63.200 0.039 0.000 0.823 70 S HN 0.602 nan 8.310 nan 0.000 0.469 71 Q N -0.307 119.517 119.800 0.039 0.000 2.106 71 Q HA 0.457 4.797 4.340 0.000 0.000 0.273 71 Q C 0.134 176.180 176.000 0.077 0.000 0.853 71 Q CA -0.122 55.723 55.803 0.070 0.000 1.118 71 Q CB 1.417 30.225 28.738 0.117 0.000 1.240 71 Q HN 0.443 nan 8.270 nan 0.000 0.445 72 G N 0.462 109.292 108.800 0.049 0.000 2.462 72 G HA2 0.270 4.230 3.960 0.000 0.000 0.685 72 G HA3 0.270 4.230 3.960 0.000 0.000 0.685 72 G C -1.437 173.473 174.900 0.017 0.000 1.295 72 G CA -0.546 44.597 45.100 0.071 0.000 0.941 72 G HN 0.470 nan 8.290 nan 0.000 0.554 73 A N -0.543 122.303 122.820 0.043 0.000 2.601 73 A HA 0.913 5.234 4.320 0.000 0.000 0.291 73 A C -2.925 174.699 177.584 0.066 0.000 1.075 73 A CA -0.329 51.691 52.037 -0.029 0.000 0.671 73 A CB 2.077 21.015 19.000 -0.103 0.000 1.277 73 A HN 1.046 nan 8.150 nan 0.000 0.417 74 P HA 0.374 nan 4.420 nan 0.000 0.218 74 P C -0.941 176.420 177.300 0.101 0.000 1.793 74 P CA 0.161 63.332 63.100 0.118 0.000 0.941 74 P CB -0.130 31.622 31.700 0.087 0.000 1.919 75 V N 2.463 122.432 119.914 0.092 0.000 2.612 75 V HA 0.163 4.283 4.120 0.000 0.000 0.301 75 V C 0.795 176.933 176.094 0.074 0.000 1.059 75 V CA -0.507 61.840 62.300 0.078 0.000 0.886 75 V CB 1.731 33.578 31.823 0.040 0.000 1.007 75 V HN 0.066 nan 8.190 nan 0.000 0.426 76 F N 5.067 124.966 119.950 -0.085 0.000 2.128 76 F HA 0.061 4.589 4.527 0.000 0.000 0.295 76 F C 0.872 176.599 175.800 -0.121 0.000 1.100 76 F CA 0.986 58.874 58.000 -0.187 0.000 1.260 76 F CB -0.104 38.801 39.000 -0.158 0.000 1.009 76 F HN 0.479 nan 8.300 nan 0.000 0.476 77 Y N 2.587 122.716 120.300 -0.285 0.000 2.594 77 Y HA 0.373 4.923 4.550 0.000 0.000 0.344 77 Y C -0.382 175.496 175.900 -0.036 0.000 1.185 77 Y CA -0.419 57.489 58.100 -0.321 0.000 1.565 77 Y CB -0.798 37.492 38.460 -0.283 0.000 1.415 77 Y HN 0.154 nan 8.280 nan 0.000 0.488 78 E N 2.825 122.770 120.200 -0.424 0.000 2.393 78 E HA 0.250 4.601 4.350 0.000 0.000 0.273 78 E C -1.349 174.706 176.600 -0.908 0.000 0.918 78 E CA -0.860 55.241 56.400 -0.499 0.000 0.773 78 E CB 0.914 30.441 29.700 -0.288 0.000 1.275 78 E HN 0.342 nan 8.360 nan 0.000 0.451 79 N N 1.636 119.500 118.700 -1.393 0.000 2.671 79 N HA 0.030 4.770 4.740 0.000 0.000 0.274 79 N C -0.738 174.584 175.510 -0.314 0.000 1.188 79 N CA 0.242 52.483 53.050 -1.350 0.000 1.065 79 N CB -0.211 37.443 38.487 -1.390 0.000 1.415 79 N HN 0.454 nan 8.380 nan 0.000 0.511 80 T N 1.215 115.828 114.554 0.099 0.000 3.591 80 T HA 0.113 4.463 4.350 0.000 0.000 0.232 80 T C 0.546 175.434 174.700 0.312 0.000 1.116 80 T CA -0.827 61.426 62.100 0.255 0.000 1.063 80 T CB -1.154 67.873 68.868 0.265 0.000 1.227 80 T HN 0.250 nan 8.240 nan 0.000 0.685 81 F N 3.368 123.359 119.950 0.070 0.000 2.568 81 F HA 0.099 4.626 4.527 0.000 0.000 0.394 81 F C 1.111 176.685 175.800 -0.376 0.000 1.032 81 F CA 0.412 58.285 58.000 -0.210 0.000 1.242 81 F CB 0.555 39.279 39.000 -0.460 0.000 0.966 81 F HN 0.482 nan 8.300 nan 0.000 0.560 82 S N 3.959 118.936 115.700 -1.205 0.000 2.701 82 S HA 0.170 4.641 4.470 0.000 0.000 0.242 82 S C -0.045 173.714 174.600 -1.402 0.000 1.025 82 S CA -0.285 57.304 58.200 -1.019 0.000 1.016 82 S CB -0.536 62.241 63.200 -0.705 0.000 0.977 82 S HN 0.646 nan 8.310 nan 0.000 0.546 83 Y N 1.020 120.030 120.300 -2.150 0.000 2.801 83 Y HA 0.403 4.953 4.550 0.000 0.000 0.318 83 Y C 0.559 175.689 175.900 -1.282 0.000 1.073 83 Y CA -1.335 55.782 58.100 -1.638 0.000 1.360 83 Y CB -0.632 36.722 38.460 -1.844 0.000 1.220 83 Y HN 0.319 nan 8.280 nan 0.000 0.536 84 W N -0.812 120.073 121.300 -0.692 0.000 2.331 84 W HA -0.261 4.399 4.660 0.000 0.000 0.291 84 W C 2.192 178.624 176.519 -0.146 0.000 1.214 84 W CA 1.961 59.206 57.345 -0.168 0.000 1.228 84 W CB -0.662 28.753 29.460 -0.074 0.000 1.135 84 W HN 0.503 nan 8.180 nan 0.000 0.537 85 H N -3.843 115.156 119.070 -0.118 0.000 2.518 85 H HA -0.165 4.391 4.556 0.000 0.000 0.289 85 H C 1.018 176.207 175.328 -0.232 0.000 1.051 85 H CA 1.518 57.424 56.048 -0.237 0.000 1.280 85 H CB -0.938 28.552 29.762 -0.453 0.000 1.380 85 H HN 0.198 nan 8.280 nan 0.000 0.566 86 Y N 1.056 121.273 120.300 -0.140 0.000 2.458 86 Y HA 0.268 4.818 4.550 0.001 0.000 0.256 86 Y C 0.180 176.162 175.900 0.136 0.000 1.159 86 Y CA -0.476 57.673 58.100 0.082 0.000 1.261 86 Y CB 0.500 39.108 38.460 0.247 0.000 1.119 86 Y HN 0.101 nan 8.280 nan 0.000 0.524 87 T N 0.653 115.347 114.554 0.233 0.000 2.771 87 T HA 0.161 4.511 4.350 0.000 0.000 0.281 87 T C 0.388 175.233 174.700 0.242 0.000 0.982 87 T CA -0.571 61.688 62.100 0.265 0.000 0.978 87 T CB 1.458 70.504 68.868 0.297 0.000 0.930 87 T HN 0.163 nan 8.240 nan 0.000 0.447 88 D N 1.355 121.889 120.400 0.223 0.000 2.346 88 D HA 0.146 4.786 4.640 0.000 0.000 0.206 88 D C 0.098 176.482 176.300 0.140 0.000 1.001 88 D CA 0.383 54.497 54.000 0.189 0.000 0.871 88 D CB 0.594 41.528 40.800 0.222 0.000 0.943 88 D HN 0.192 nan 8.370 nan 0.000 0.518 89 L N 0.608 121.914 121.223 0.139 0.000 2.549 89 L HA 0.366 4.707 4.340 0.000 0.000 0.259 89 L C -1.891 175.040 176.870 0.102 0.000 0.934 89 L CA -0.656 54.222 54.840 0.064 0.000 0.865 89 L CB 2.162 44.162 42.059 -0.098 0.000 1.352 89 L HN -0.262 nan 8.230 nan 0.000 0.410 90 M N 5.173 124.852 119.600 0.131 0.000 2.227 90 M HA 0.677 5.157 4.480 0.000 0.000 0.335 90 M C -1.743 174.599 176.300 0.069 0.000 1.053 90 M CA -0.407 54.970 55.300 0.127 0.000 0.973 90 M CB 1.555 34.323 32.600 0.280 0.000 1.623 90 M HN 0.256 nan 8.290 nan 0.000 0.434 91 V N 6.275 126.189 119.914 0.000 0.000 2.370 91 V HA 0.245 4.365 4.120 0.000 0.000 0.279 91 V C -0.956 175.135 176.094 -0.006 0.000 1.029 91 V CA -0.649 61.628 62.300 -0.038 0.000 0.870 91 V CB 0.816 32.485 31.823 -0.257 0.000 0.984 91 V HN 0.761 nan 8.190 nan 0.000 0.451 92 Y N 5.512 125.743 120.300 -0.115 0.000 2.587 92 Y HA 0.092 4.642 4.550 0.000 0.000 0.344 92 Y C 0.130 175.964 175.900 -0.110 0.000 1.061 92 Y CA -0.093 57.929 58.100 -0.129 0.000 1.370 92 Y CB 0.290 38.626 38.460 -0.208 0.000 1.163 92 Y HN 0.725 nan 8.280 nan 0.000 0.527 93 W N 8.170 129.157 121.300 -0.521 0.000 2.388 93 W HA 0.546 5.207 4.660 0.001 0.000 0.308 93 W C -1.134 175.069 176.519 -0.525 0.000 1.263 93 W CA -0.050 57.012 57.345 -0.471 0.000 1.286 93 W CB 0.664 29.849 29.460 -0.459 0.000 1.294 93 W HN 0.787 nan 8.180 nan 0.000 0.493 94 A N 3.917 126.214 122.820 -0.870 0.000 2.515 94 A HA 0.734 5.054 4.320 0.000 0.000 0.292 94 A C -0.395 176.849 177.584 -0.566 0.000 1.065 94 A CA -0.080 51.608 52.037 -0.583 0.000 0.641 94 A CB 0.687 19.507 19.000 -0.301 0.000 1.306 94 A HN 1.513 nan 8.150 nan 0.000 0.441 95 G N -0.957 107.644 108.800 -0.333 0.000 2.885 95 G HA2 0.626 4.586 3.960 0.000 0.000 0.685 95 G HA3 0.626 4.586 3.960 0.000 0.000 0.685 95 G C -0.487 174.415 174.900 0.004 0.000 1.216 95 G CA 0.307 45.304 45.100 -0.171 0.000 0.790 95 G HN 2.827 nan 8.290 nan 0.000 0.631 96 S N 0.136 115.860 115.700 0.040 0.000 2.567 96 S HA 0.899 5.370 4.470 0.000 0.000 0.270 96 S C 1.059 175.725 174.600 0.110 0.000 1.152 96 S CA 0.287 58.581 58.200 0.157 0.000 0.835 96 S CB 1.357 64.607 63.200 0.083 0.000 1.115 96 S HN 2.397 nan 8.310 nan 0.000 0.459 97 A N 1.167 124.142 122.820 0.258 0.000 2.015 97 A HA 0.269 4.590 4.320 0.000 0.000 0.219 97 A C 1.966 179.849 177.584 0.499 0.000 1.163 97 A CA 1.813 54.121 52.037 0.452 0.000 0.646 97 A CB -1.477 17.843 19.000 0.534 0.000 0.806 97 A HN 1.430 nan 8.150 nan 0.000 0.448 98 G N -0.789 108.201 108.800 0.317 0.000 2.430 98 G HA2 -0.047 3.913 3.960 0.000 0.000 0.216 98 G HA3 -0.047 3.913 3.960 0.000 0.000 0.216 98 G C 1.423 176.504 174.900 0.301 0.000 1.146 98 G CA 0.975 46.241 45.100 0.276 0.000 0.793 98 G HN 0.625 nan 8.290 nan 0.000 0.537 99 E N -1.287 118.996 120.200 0.138 0.000 2.290 99 E HA 0.409 4.760 4.350 0.000 0.000 0.199 99 E C 0.849 177.289 176.600 -0.266 0.000 0.912 99 E CA 0.402 56.773 56.400 -0.049 0.000 0.924 99 E CB 0.999 30.534 29.700 -0.274 0.000 0.901 99 E HN 0.369 nan 8.360 nan 0.000 0.487 100 G N 0.975 109.364 108.800 -0.684 0.000 2.343 100 G HA2 0.091 4.051 3.960 0.000 0.000 0.298 100 G HA3 0.091 4.051 3.960 0.000 0.000 0.298 100 G C -0.161 174.289 174.900 -0.750 0.000 1.644 100 G CA -0.585 43.747 45.100 -1.281 0.000 0.958 100 G HN 0.154 nan 8.290 nan 0.000 0.702 101 I N -1.511 118.588 120.570 -0.786 0.000 4.070 101 I HA 0.554 4.724 4.170 0.000 0.000 0.328 101 I C 0.071 176.033 176.117 -0.259 0.000 1.298 101 I CA -0.014 61.024 61.300 -0.436 0.000 1.173 101 I CB 0.351 38.037 38.000 -0.524 0.000 1.051 101 I HN 0.165 nan 8.210 nan 0.000 0.409 102 I N 2.574 123.043 120.570 -0.169 0.000 2.330 102 I HA 0.388 4.559 4.170 0.000 0.000 0.289 102 I C -0.795 175.439 176.117 0.196 0.000 1.001 102 I CA -0.610 60.731 61.300 0.068 0.000 1.193 102 I CB 1.741 39.818 38.000 0.128 0.000 1.345 102 I HN -0.151 nan 8.210 nan 0.000 0.461 103 V N 8.446 128.522 119.914 0.271 0.000 2.488 103 V HA 0.433 4.553 4.120 0.000 0.000 0.293 103 V C -2.301 173.841 176.094 0.080 0.000 1.027 103 V CA -1.400 60.968 62.300 0.114 0.000 0.862 103 V CB 1.783 33.631 31.823 0.041 0.000 1.008 103 V HN 0.519 nan 8.190 nan 0.000 0.428 104 P HA 0.403 nan 4.420 nan 0.000 0.276 104 P C -2.840 173.876 177.300 -0.974 0.000 1.244 104 P CA -2.090 60.685 63.100 -0.542 0.000 0.801 104 P CB 0.599 32.237 31.700 -0.104 0.000 1.006 105 P HA 0.039 nan 4.420 nan 0.000 0.272 105 P C 0.107 176.784 177.300 -1.039 0.000 1.223 105 P CA 0.074 62.142 63.100 -1.719 0.000 0.784 105 P CB 0.098 31.144 31.700 -1.089 0.000 0.923 106 S N 0.857 116.054 115.700 -0.840 0.000 2.572 106 S HA 0.302 4.772 4.470 0.000 0.000 0.279 106 S C 1.510 175.932 174.600 -0.297 0.000 1.341 106 S CA -0.034 57.925 58.200 -0.402 0.000 1.043 106 S CB 0.503 63.596 63.200 -0.179 0.000 0.887 106 S HN 0.541 nan 8.310 nan 0.000 0.516 107 A N 2.033 124.716 122.820 -0.227 0.000 1.972 107 A HA -0.146 4.175 4.320 0.000 0.000 0.219 107 A C 1.895 179.424 177.584 -0.093 0.000 1.169 107 A CA 1.618 53.562 52.037 -0.157 0.000 0.635 107 A CB -1.063 17.879 19.000 -0.097 0.000 0.810 107 A HN 0.992 nan 8.150 nan 0.000 0.446 108 D N 0.631 121.001 120.400 -0.050 0.000 2.117 108 D HA -0.167 4.473 4.640 0.000 0.000 0.197 108 D C 1.811 178.113 176.300 0.003 0.000 0.987 108 D CA 2.101 56.103 54.000 0.004 0.000 0.829 108 D CB -1.272 39.552 40.800 0.040 0.000 0.961 108 D HN 0.619 nan 8.370 nan 0.000 0.460 109 V N -1.379 118.530 119.914 -0.008 0.000 2.649 109 V HA 0.040 4.161 4.120 0.000 0.000 0.248 109 V C 2.629 178.677 176.094 -0.077 0.000 1.054 109 V CA 0.346 62.677 62.300 0.051 0.000 1.073 109 V CB -0.796 31.129 31.823 0.171 0.000 0.699 109 V HN 0.101 nan 8.190 nan 0.000 0.463 110 I N 1.118 121.571 120.570 -0.196 0.000 2.163 110 I HA -0.224 3.947 4.170 0.000 0.000 0.243 110 I C 2.506 178.380 176.117 -0.404 0.000 1.085 110 I CA 2.234 63.315 61.300 -0.366 0.000 1.347 110 I CB -0.641 37.136 38.000 -0.371 0.000 1.044 110 I HN 0.288 nan 8.210 nan 0.000 0.408 111 D N 1.095 121.365 120.400 -0.217 0.000 2.104 111 D HA -0.171 4.469 4.640 0.000 0.000 0.194 111 D C 2.261 178.466 176.300 -0.158 0.000 0.994 111 D CA 1.735 55.660 54.000 -0.124 0.000 0.830 111 D CB -0.284 40.490 40.800 -0.042 0.000 0.959 111 D HN 0.368 nan 8.370 nan 0.000 0.452 112 A N 0.284 122.991 122.820 -0.187 0.000 1.902 112 A HA -0.175 4.145 4.320 0.000 0.000 0.217 112 A C 2.358 179.417 177.584 -0.875 0.000 1.181 112 A CA 2.108 53.948 52.037 -0.327 0.000 0.623 112 A CB -0.781 18.189 19.000 -0.050 0.000 0.818 112 A HN 0.216 nan 8.150 nan 0.000 0.443 113 S N -1.476 113.667 115.700 -0.928 0.000 2.356 113 S HA -0.195 4.276 4.470 0.000 0.000 0.223 113 S C 2.071 176.451 174.600 -0.366 0.000 1.032 113 S CA 1.642 59.235 58.200 -1.012 0.000 1.005 113 S CB -0.486 62.496 63.200 -0.363 0.000 0.867 113 S HN 0.711 nan 8.310 nan 0.000 0.449 114 H N 1.252 120.142 119.070 -0.300 0.000 2.389 114 H HA 0.151 4.708 4.556 0.000 0.000 0.299 114 H C 2.348 177.588 175.328 -0.148 0.000 1.081 114 H CA 1.221 57.175 56.048 -0.156 0.000 1.345 114 H CB -0.293 29.417 29.762 -0.086 0.000 1.393 114 H HN 0.340 nan 8.280 nan 0.000 0.520 115 R N 0.230 120.697 120.500 -0.054 0.000 2.159 115 R HA -0.098 4.242 4.340 0.000 0.000 0.237 115 R C 0.857 177.113 176.300 -0.073 0.000 1.131 115 R CA 1.437 57.508 56.100 -0.047 0.000 0.982 115 R CB -0.110 30.160 30.300 -0.050 0.000 0.868 115 R HN 0.399 nan 8.270 nan 0.000 0.453 116 N N -0.950 117.644 118.700 -0.176 0.000 2.270 116 N HA 0.088 4.828 4.740 0.000 0.000 0.198 116 N C 0.424 175.913 175.510 -0.035 0.000 1.117 116 N CA 0.529 53.509 53.050 -0.116 0.000 0.845 116 N CB 1.335 39.698 38.487 -0.207 0.000 0.980 116 N HN 0.268 nan 8.380 nan 0.000 0.486 117 G N 0.035 108.812 108.800 -0.038 0.000 2.160 117 G HA2 -0.258 3.702 3.960 0.000 0.000 0.251 117 G HA3 -0.258 3.702 3.960 0.000 0.000 0.251 117 G C -0.245 174.673 174.900 0.030 0.000 1.008 117 G CA 0.115 45.207 45.100 -0.013 0.000 0.724 117 G HN 0.186 nan 8.290 nan 0.000 0.514 118 V N 1.656 121.605 119.914 0.058 0.000 2.350 118 V HA 0.419 4.539 4.120 0.000 0.000 0.276 118 V C -1.641 174.552 176.094 0.165 0.000 1.028 118 V CA -1.780 60.604 62.300 0.140 0.000 0.860 118 V CB 1.658 33.643 31.823 0.270 0.000 0.990 118 V HN 0.105 nan 8.190 nan 0.000 0.453 119 P HA 0.278 nan 4.420 nan 0.000 0.268 119 P C -0.518 176.890 177.300 0.180 0.000 1.205 119 P CA 0.128 63.325 63.100 0.163 0.000 0.771 119 P CB 0.802 32.564 31.700 0.103 0.000 0.858 120 I N 3.150 123.844 120.570 0.208 0.000 2.545 120 I HA 0.372 4.543 4.170 0.000 0.000 0.292 120 I C -1.222 174.964 176.117 0.114 0.000 1.040 120 I CA -1.107 60.273 61.300 0.134 0.000 1.068 120 I CB 1.115 39.156 38.000 0.068 0.000 1.251 120 I HN 0.094 nan 8.210 nan 0.000 0.424 121 L N 6.689 127.951 121.223 0.064 0.000 2.334 121 L HA 0.652 4.993 4.340 0.000 0.000 0.273 121 L C 0.695 177.471 176.870 -0.157 0.000 1.013 121 L CA -0.756 54.111 54.840 0.045 0.000 0.816 121 L CB 1.537 43.706 42.059 0.184 0.000 1.278 121 L HN 0.639 nan 8.230 nan 0.000 0.431 122 G N 0.666 109.189 108.800 -0.462 0.000 2.588 122 G HA2 0.141 4.102 3.960 0.000 0.000 0.281 122 G HA3 0.141 4.102 3.960 0.000 0.000 0.281 122 G C -0.750 174.233 174.900 0.138 0.000 1.236 122 G CA -0.384 44.370 45.100 -0.576 0.000 0.969 122 G HN 0.587 nan 8.290 nan 0.000 0.504 123 N N -1.033 117.886 118.700 0.365 0.000 2.314 123 N HA 0.422 5.162 4.740 0.000 0.000 0.294 123 N C -1.390 174.382 175.510 0.437 0.000 1.029 123 N CA -0.341 52.953 53.050 0.406 0.000 0.845 123 N CB 2.234 40.771 38.487 0.084 0.000 1.321 123 N HN 0.105 nan 8.380 nan 0.000 0.481 124 V N 4.447 124.568 119.914 0.344 0.000 2.350 124 V HA 0.408 4.528 4.120 0.000 0.000 0.285 124 V C -0.865 175.164 176.094 -0.108 0.000 1.014 124 V CA -0.737 61.571 62.300 0.014 0.000 0.831 124 V CB 0.737 32.527 31.823 -0.055 0.000 1.000 124 V HN 0.504 nan 8.190 nan 0.000 0.433 125 F N 6.823 126.515 119.950 -0.430 0.000 2.382 125 F HA 0.653 5.181 4.527 0.000 0.000 0.361 125 F C -0.830 174.736 175.800 -0.391 0.000 1.109 125 F CA -2.018 55.776 58.000 -0.344 0.000 1.031 125 F CB 0.954 39.780 39.000 -0.291 0.000 1.234 125 F HN 0.354 nan 8.300 nan 0.000 0.445 126 F N 7.647 127.453 119.950 -0.240 0.000 2.368 126 F HA 0.425 4.953 4.527 0.000 0.000 0.362 126 F C -2.168 173.287 175.800 -0.575 0.000 1.137 126 F CA -2.568 55.266 58.000 -0.277 0.000 1.161 126 F CB 0.132 39.085 39.000 -0.079 0.000 1.265 126 F HN 0.322 nan 8.300 nan 0.000 0.530 127 P HA 0.214 nan 4.420 nan 0.000 0.274 127 P C -2.586 174.681 177.300 -0.055 0.000 1.246 127 P CA -1.639 61.076 63.100 -0.642 0.000 0.795 127 P CB 0.250 31.740 31.700 -0.350 0.000 1.006 128 P HA -0.009 nan 4.420 nan 0.000 0.268 128 P C 0.881 178.211 177.300 0.051 0.000 1.208 128 P CA 0.560 63.735 63.100 0.125 0.000 0.777 128 P CB -0.130 31.691 31.700 0.202 0.000 0.875 129 T N 0.825 115.374 114.554 -0.009 0.000 2.699 129 T HA -0.162 4.188 4.350 0.000 0.000 0.268 129 T C 1.683 176.341 174.700 -0.069 0.000 1.036 129 T CA 1.331 63.407 62.100 -0.041 0.000 1.147 129 T CB -0.614 68.221 68.868 -0.056 0.000 0.862 129 T HN 0.233 nan 8.240 nan 0.000 0.446 130 V N 0.352 120.165 119.914 -0.168 0.000 2.720 130 V HA -0.108 4.012 4.120 0.000 0.000 0.256 130 V C 1.016 176.946 176.094 -0.273 0.000 1.082 130 V CA 1.342 63.476 62.300 -0.277 0.000 1.101 130 V CB -0.599 30.963 31.823 -0.435 0.000 0.693 130 V HN 0.596 nan 8.190 nan 0.000 0.479 131 Y N 0.376 120.735 120.300 0.099 0.000 2.625 131 Y HA 0.558 5.109 4.550 0.000 0.000 0.285 131 Y C 1.610 177.592 175.900 0.136 0.000 1.168 131 Y CA -0.332 57.846 58.100 0.129 0.000 1.250 131 Y CB 0.082 38.651 38.460 0.180 0.000 1.130 131 Y HN 0.265 nan 8.280 nan 0.000 0.526 132 G N -0.611 108.298 108.800 0.180 0.000 2.141 132 G HA2 -0.207 3.753 3.960 0.000 0.000 0.231 132 G HA3 -0.207 3.753 3.960 0.000 0.000 0.231 132 G C 0.709 175.690 174.900 0.135 0.000 0.984 132 G CA -0.237 44.956 45.100 0.155 0.000 0.660 132 G HN 0.762 nan 8.290 nan 0.000 0.525 133 G N -0.592 108.278 108.800 0.116 0.000 2.554 133 G HA2 0.491 4.451 3.960 0.000 0.000 0.238 133 G HA3 0.491 4.451 3.960 0.000 0.000 0.238 133 G C -0.077 174.727 174.900 -0.161 0.000 1.259 133 G CA 0.153 45.310 45.100 0.095 0.000 0.843 133 G HN 0.536 nan 8.290 nan 0.000 0.582 134 Q N 0.933 120.534 119.800 -0.331 0.000 2.304 134 Q HA 0.276 4.616 4.340 0.000 0.000 0.270 134 Q C 0.956 176.807 176.000 -0.247 0.000 1.035 134 Q CA -0.784 54.713 55.803 -0.510 0.000 0.781 134 Q CB 2.513 30.547 28.738 -1.174 0.000 1.261 134 Q HN 0.453 nan 8.270 nan 0.000 0.444 135 L N 0.849 121.967 121.223 -0.175 0.000 2.187 135 L HA -0.233 4.108 4.340 0.000 0.000 0.213 135 L C 2.016 178.837 176.870 -0.082 0.000 1.100 135 L CA 1.196 55.973 54.840 -0.105 0.000 0.765 135 L CB -0.077 41.923 42.059 -0.098 0.000 0.904 135 L HN 0.610 nan 8.230 nan 0.000 0.437 136 E N -1.024 119.086 120.200 -0.150 0.000 2.118 136 E HA -0.239 4.111 4.350 0.000 0.000 0.195 136 E C 1.750 178.410 176.600 0.099 0.000 0.992 136 E CA 1.405 57.759 56.400 -0.077 0.000 0.804 136 E CB -0.408 29.203 29.700 -0.148 0.000 0.741 136 E HN 0.606 nan 8.360 nan 0.000 0.458 137 W N -0.128 121.227 121.300 0.091 0.000 2.363 137 W HA 0.042 4.703 4.660 0.000 0.000 0.296 137 W C 2.187 178.823 176.519 0.195 0.000 1.212 137 W CA 0.406 57.858 57.345 0.179 0.000 1.260 137 W CB -1.418 28.200 29.460 0.263 0.000 1.131 137 W HN 0.288 nan 8.180 nan 0.000 0.530 138 L N 1.071 122.453 121.223 0.266 0.000 2.027 138 L HA -0.152 4.188 4.340 0.000 0.000 0.206 138 L C 2.101 178.918 176.870 -0.089 0.000 1.074 138 L CA 2.050 56.788 54.840 -0.169 0.000 0.745 138 L CB -1.063 40.730 42.059 -0.442 0.000 0.898 138 L HN -0.041 nan 8.230 nan 0.000 0.433 139 E N -0.965 119.227 120.200 -0.014 0.000 2.077 139 E HA -0.276 4.075 4.350 0.000 0.000 0.193 139 E C 2.152 178.787 176.600 0.059 0.000 0.989 139 E CA 1.421 57.824 56.400 0.005 0.000 0.800 139 E CB -0.176 29.526 29.700 0.002 0.000 0.746 139 E HN 0.629 nan 8.360 nan 0.000 0.452 140 Q N -0.100 119.770 119.800 0.116 0.000 2.061 140 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 140 Q C 2.185 178.270 176.000 0.142 0.000 0.984 140 Q CA 1.333 57.222 55.803 0.143 0.000 0.846 140 Q CB -0.036 28.826 28.738 0.207 0.000 0.902 140 Q HN 0.248 nan 8.270 nan 0.000 0.421 141 M N -0.143 119.546 119.600 0.147 0.000 2.279 141 M HA -0.109 4.372 4.480 0.000 0.000 0.264 141 M C 1.643 177.985 176.300 0.068 0.000 1.062 141 M CA 1.345 56.709 55.300 0.106 0.000 1.099 141 M CB -0.405 32.266 32.600 0.119 0.000 1.394 141 M HN 0.248 nan 8.290 nan 0.000 0.426 142 L N -0.068 121.184 121.223 0.049 0.000 2.628 142 L HA 0.104 4.445 4.340 0.000 0.000 0.229 142 L C 0.960 178.048 176.870 0.363 0.000 1.137 142 L CA -0.432 54.521 54.840 0.188 0.000 0.909 142 L CB -0.784 41.295 42.059 0.034 0.000 1.137 142 L HN 0.214 nan 8.230 nan 0.000 0.470 143 E N 1.652 121.980 120.200 0.214 0.000 2.465 143 E HA 0.079 4.430 4.350 0.000 0.000 0.260 143 E C -0.155 176.410 176.600 -0.059 0.000 0.980 143 E CA 0.128 56.575 56.400 0.079 0.000 0.927 143 E CB 0.369 30.101 29.700 0.054 0.000 0.934 143 E HN 0.392 nan 8.360 nan 0.000 0.459 144 Q N 1.395 121.038 119.800 -0.261 0.000 2.353 144 Q HA 0.444 4.785 4.340 0.000 0.000 0.268 144 Q C -0.742 175.054 176.000 -0.340 0.000 1.045 144 Q CA -0.553 54.892 55.803 -0.596 0.000 0.811 144 Q CB 1.562 29.773 28.738 -0.879 0.000 1.305 144 Q HN 0.701 nan 8.270 nan 0.000 0.447 145 E N 1.196 121.204 120.200 -0.319 0.000 2.322 145 E HA 0.174 4.524 4.350 0.000 0.000 0.257 145 E C 0.851 177.349 176.600 -0.169 0.000 1.155 145 E CA 0.839 57.126 56.400 -0.190 0.000 0.936 145 E CB 0.823 30.440 29.700 -0.139 0.000 1.130 145 E HN 0.763 nan 8.360 nan 0.000 0.465 146 E N 0.879 121.014 120.200 -0.109 0.000 2.153 146 E HA -0.256 4.094 4.350 0.000 0.000 0.194 146 E C 1.399 177.951 176.600 -0.080 0.000 0.988 146 E CA 1.703 58.053 56.400 -0.084 0.000 0.811 146 E CB -0.696 nan 29.700 nan 0.000 0.746 146 E HN 0.549 nan 8.360 nan 0.000 0.466 147 D N -0.410 119.942 120.400 -0.080 0.000 2.218 147 D HA -0.194 4.446 4.640 0.000 0.000 0.194 147 D C 1.772 178.028 176.300 -0.074 0.000 1.007 147 D CA 2.478 56.440 54.000 -0.063 0.000 0.879 147 D CB -0.431 40.327 40.800 -0.071 0.000 0.918 147 D HN 0.775 nan 8.370 nan 0.000 0.449 148 G N -0.317 108.395 108.800 -0.146 0.000 2.179 148 G HA2 -0.303 3.657 3.960 0.000 0.000 0.260 148 G HA3 -0.303 3.657 3.960 0.000 0.000 0.260 148 G C 0.427 175.132 174.900 -0.325 0.000 0.977 148 G CA 0.981 45.964 45.100 -0.195 0.000 0.641 148 G HN 0.667 nan 8.290 nan 0.000 0.533 149 S N -0.463 115.049 115.700 -0.312 0.000 2.601 149 S HA 0.704 5.175 4.470 0.000 0.000 0.271 149 S C -0.214 173.951 174.600 -0.725 0.000 1.305 149 S CA -0.559 57.350 58.200 -0.486 0.000 1.022 149 S CB 1.150 64.279 63.200 -0.118 0.000 0.940 149 S HN 0.444 nan 8.310 nan 0.000 0.525 150 F N 2.738 122.111 119.950 -0.961 0.000 2.308 150 F HA 0.382 4.909 4.527 0.000 0.000 0.370 150 F C -1.340 174.348 175.800 -0.187 0.000 1.100 150 F CA -2.098 55.639 58.000 -0.438 0.000 1.108 150 F CB 1.668 40.441 39.000 -0.378 0.000 1.293 150 F HN 0.481 nan 8.300 nan 0.000 0.478 151 P HA -0.195 nan 4.420 nan 0.000 0.218 151 P C 1.632 178.996 177.300 0.106 0.000 1.148 151 P CA 1.235 64.371 63.100 0.060 0.000 0.822 151 P CB 0.534 32.250 31.700 0.027 0.000 0.784 152 L N -0.695 120.633 121.223 0.175 0.000 2.179 152 L HA 0.013 4.353 4.340 0.000 0.000 0.208 152 L C 2.640 179.613 176.870 0.172 0.000 1.096 152 L CA 1.569 56.512 54.840 0.171 0.000 0.779 152 L CB -1.982 40.211 42.059 0.225 0.000 0.922 152 L HN -0.039 nan 8.230 nan 0.000 0.443 153 A N -0.012 122.938 122.820 0.218 0.000 1.877 153 A HA -0.221 4.099 4.320 0.000 0.000 0.216 153 A C 1.955 179.576 177.584 0.060 0.000 1.186 153 A CA 1.808 53.831 52.037 -0.023 0.000 0.620 153 A CB -0.509 18.353 19.000 -0.230 0.000 0.822 153 A HN 0.348 nan 8.150 nan 0.000 0.443 154 D N 0.025 120.527 120.400 0.170 0.000 2.133 154 D HA -0.161 4.480 4.640 0.000 0.000 0.195 154 D C 1.861 178.198 176.300 0.061 0.000 0.997 154 D CA 1.333 55.414 54.000 0.136 0.000 0.840 154 D CB -0.188 40.696 40.800 0.141 0.000 0.947 154 D HN 0.269 nan 8.370 nan 0.000 0.452 155 K N 0.428 120.845 120.400 0.028 0.000 2.097 155 K HA -0.030 4.291 4.320 0.000 0.000 0.206 155 K C 2.434 178.995 176.600 -0.066 0.000 1.049 155 K CA 0.220 56.494 56.287 -0.021 0.000 0.933 155 K CB -0.578 31.873 32.500 -0.081 0.000 0.717 155 K HN 0.276 nan 8.250 nan 0.000 0.442 156 L N 0.714 121.859 121.223 -0.130 0.000 2.042 156 L HA -0.196 4.145 4.340 0.000 0.000 0.210 156 L C 2.443 179.409 176.870 0.159 0.000 1.076 156 L CA 1.120 55.814 54.840 -0.243 0.000 0.749 156 L CB -0.521 41.141 42.059 -0.663 0.000 0.893 156 L HN 0.114 nan 8.230 nan 0.000 0.432 157 L N -0.690 120.591 121.223 0.097 0.000 2.093 157 L HA -0.187 4.154 4.340 0.000 0.000 0.208 157 L C 2.477 179.409 176.870 0.103 0.000 1.085 157 L CA 1.199 56.116 54.840 0.128 0.000 0.755 157 L CB -0.473 41.621 42.059 0.057 0.000 0.904 157 L HN 0.278 nan 8.230 nan 0.000 0.435 158 E N -0.362 119.896 120.200 0.096 0.000 2.110 158 E HA -0.177 4.173 4.350 0.000 0.000 0.193 158 E C 2.286 178.982 176.600 0.159 0.000 0.988 158 E CA 1.120 57.593 56.400 0.122 0.000 0.804 158 E CB -0.012 29.770 29.700 0.137 0.000 0.745 158 E HN 0.236 nan 8.360 nan 0.000 0.458 159 V N 1.173 121.153 119.914 0.110 0.000 2.307 159 V HA -0.236 3.884 4.120 0.000 0.000 0.245 159 V C 2.286 178.387 176.094 0.011 0.000 1.045 159 V CA 1.774 64.083 62.300 0.015 0.000 1.024 159 V CB -0.602 31.243 31.823 0.037 0.000 0.651 159 V HN 0.321 nan 8.190 nan 0.000 0.449 160 A N 0.032 122.781 122.820 -0.119 0.000 1.908 160 A HA -0.308 4.012 4.320 0.000 0.000 0.218 160 A C 2.029 179.363 177.584 -0.416 0.000 1.181 160 A CA 2.304 53.814 52.037 -0.878 0.000 0.627 160 A CB -0.673 17.954 19.000 -0.621 0.000 0.818 160 A HN 0.612 nan 8.150 nan 0.000 0.445 161 D N -2.051 118.283 120.400 -0.111 0.000 2.097 161 D HA -0.187 4.453 4.640 0.000 0.000 0.197 161 D C 1.773 178.103 176.300 0.050 0.000 0.984 161 D CA 1.541 55.530 54.000 -0.017 0.000 0.826 161 D CB -0.310 40.514 40.800 0.040 0.000 0.973 161 D HN 0.479 nan 8.370 nan 0.000 0.460 162 Y N -0.483 119.822 120.300 0.007 0.000 2.163 162 Y HA -0.206 4.345 4.550 0.000 0.000 0.288 162 Y C 1.739 177.743 175.900 0.173 0.000 1.136 162 Y CA 1.616 59.757 58.100 0.067 0.000 1.147 162 Y CB -0.428 38.091 38.460 0.099 0.000 0.987 162 Y HN 0.032 nan 8.280 nan 0.000 0.509 163 Y N 0.046 120.453 120.300 0.179 0.000 2.395 163 Y HA 0.203 4.753 4.550 0.000 0.000 0.293 163 Y C 1.884 177.811 175.900 0.044 0.000 1.123 163 Y CA 0.476 58.655 58.100 0.132 0.000 1.227 163 Y CB -0.670 38.038 38.460 0.413 0.000 1.012 163 Y HN 0.224 nan 8.280 nan 0.000 0.552 164 G N 0.476 109.358 108.800 0.137 0.000 2.414 164 G HA2 -0.202 3.758 3.960 0.000 0.000 0.256 164 G HA3 -0.202 3.758 3.960 0.000 0.000 0.256 164 G C -0.294 174.730 174.900 0.206 0.000 1.128 164 G CA 0.079 45.228 45.100 0.083 0.000 0.944 164 G HN 0.375 nan 8.290 nan 0.000 0.500 165 F N -2.366 117.620 119.950 0.060 0.000 2.764 165 F HA 0.846 5.373 4.527 0.000 0.000 0.347 165 F C 0.214 176.032 175.800 0.030 0.000 1.151 165 F CA -1.234 56.781 58.000 0.024 0.000 1.021 165 F CB 0.828 39.746 39.000 -0.135 0.000 1.438 165 F HN -0.108 nan 8.300 nan 0.000 0.516 166 D N -0.334 120.196 120.400 0.218 0.000 2.440 166 D HA 0.441 5.082 4.640 0.000 0.000 0.216 166 D C 0.585 176.960 176.300 0.126 0.000 1.150 166 D CA 0.647 54.728 54.000 0.135 0.000 0.832 166 D CB 1.061 41.979 40.800 0.196 0.000 0.992 166 D HN 0.982 nan 8.370 nan 0.000 0.502 167 G N 0.392 109.221 108.800 0.048 0.000 2.302 167 G HA2 0.124 4.084 3.960 0.000 0.000 0.264 167 G HA3 0.124 4.084 3.960 0.000 0.000 0.264 167 G C -2.104 172.737 174.900 -0.097 0.000 1.335 167 G CA -1.077 44.082 45.100 0.097 0.000 0.982 167 G HN 0.085 nan 8.290 nan 0.000 0.473 168 W N -0.921 120.610 121.300 0.385 0.000 3.138 168 W HA 0.646 5.306 4.660 0.000 0.000 0.331 168 W C -1.069 175.715 176.519 0.441 0.000 1.166 168 W CA -0.768 56.818 57.345 0.402 0.000 1.212 168 W CB 2.000 31.667 29.460 0.344 0.000 1.399 168 W HN 0.524 nan 8.180 nan 0.000 0.514 169 F N 5.252 125.509 119.950 0.511 0.000 2.388 169 F HA 0.611 5.139 4.527 0.000 0.000 0.358 169 F C -0.657 175.385 175.800 0.403 0.000 1.122 169 F CA -0.832 57.412 58.000 0.406 0.000 1.056 169 F CB 0.439 39.613 39.000 0.290 0.000 1.155 169 F HN 0.024 nan 8.300 nan 0.000 0.461 170 I N 5.901 126.468 120.570 -0.005 0.000 2.330 170 I HA 0.238 4.408 4.170 0.000 0.000 0.289 170 I C -0.657 175.312 176.117 -0.246 0.000 1.001 170 I CA -0.570 60.791 61.300 0.101 0.000 1.193 170 I CB 0.986 39.252 38.000 0.443 0.000 1.345 170 I HN 0.559 nan 8.210 nan 0.000 0.461 171 N N 5.832 124.460 118.700 -0.120 0.000 2.623 171 N HA 0.106 4.846 4.740 0.000 0.000 0.256 171 N C -0.689 174.874 175.510 0.087 0.000 1.045 171 N CA -0.318 52.644 53.050 -0.146 0.000 0.863 171 N CB 1.068 39.593 38.487 0.063 0.000 1.182 171 N HN 0.346 nan 8.380 nan 0.000 0.523 172 Q N 2.300 122.050 119.800 -0.084 0.000 2.406 172 Q HA 0.244 4.584 4.340 0.000 0.000 0.242 172 Q C -0.420 175.587 176.000 0.012 0.000 1.036 172 Q CA 0.030 55.885 55.803 0.087 0.000 0.904 172 Q CB 0.747 29.467 28.738 -0.031 0.000 1.244 172 Q HN 0.550 nan 8.270 nan 0.000 0.478 173 Q N 1.636 121.493 119.800 0.095 0.000 2.171 173 Q HA 0.167 4.507 4.340 0.000 0.000 0.218 173 Q C -0.377 175.662 176.000 0.064 0.000 0.822 173 Q CA 0.064 55.929 55.803 0.103 0.000 0.987 173 Q CB 1.070 29.941 28.738 0.222 0.000 1.144 173 Q HN 0.422 nan 8.270 nan 0.000 0.494 174 T N 2.397 116.971 114.554 0.033 0.000 2.761 174 T HA 0.215 4.565 4.350 0.000 0.000 0.296 174 T C 0.105 174.782 174.700 -0.038 0.000 0.934 174 T CA -0.168 61.936 62.100 0.006 0.000 1.091 174 T CB 0.793 69.673 68.868 0.019 0.000 0.896 174 T HN 0.033 nan 8.240 nan 0.000 0.515 175 E N 1.164 121.341 120.200 -0.038 0.000 2.374 175 E HA 0.489 4.839 4.350 0.000 0.000 0.260 175 E C 1.360 177.924 176.600 -0.061 0.000 1.101 175 E CA 0.424 56.788 56.400 -0.060 0.000 0.907 175 E CB 0.359 30.028 29.700 -0.051 0.000 1.014 175 E HN 0.824 nan 8.360 nan 0.000 0.427 176 G N 0.158 108.920 108.800 -0.062 0.000 2.176 176 G HA2 -0.195 3.765 3.960 0.000 0.000 0.232 176 G HA3 -0.195 3.765 3.960 0.000 0.000 0.232 176 G C 0.346 175.215 174.900 -0.052 0.000 0.986 176 G CA -0.214 44.853 45.100 -0.055 0.000 0.643 176 G HN 0.778 nan 8.290 nan 0.000 0.522 177 A N 0.530 123.317 122.820 -0.056 0.000 2.445 177 A HA 0.566 4.886 4.320 0.000 0.000 0.242 177 A C 0.596 178.163 177.584 -0.029 0.000 1.075 177 A CA 0.802 52.810 52.037 -0.048 0.000 0.777 177 A CB 0.260 19.227 19.000 -0.054 0.000 1.013 177 A HN 0.886 nan 8.150 nan 0.000 0.493 178 D N 0.159 120.547 120.400 -0.021 0.000 2.549 178 D HA 0.225 4.866 4.640 0.000 0.000 0.270 178 D C 0.740 177.042 176.300 0.004 0.000 1.181 178 D CA -0.364 53.630 54.000 -0.010 0.000 1.070 178 D CB 0.333 41.125 40.800 -0.013 0.000 1.154 178 D HN 0.566 nan 8.370 nan 0.000 0.602 179 E N -0.626 119.578 120.200 0.007 0.000 2.110 179 E HA -0.097 4.253 4.350 0.000 0.000 0.193 179 E C 2.054 178.661 176.600 0.013 0.000 0.988 179 E CA 1.376 57.785 56.400 0.015 0.000 0.804 179 E CB -0.616 29.090 29.700 0.009 0.000 0.745 179 E HN 0.626 nan 8.360 nan 0.000 0.458 180 G N -0.278 108.526 108.800 0.006 0.000 2.440 180 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 180 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 180 G C 1.619 176.528 174.900 0.015 0.000 1.154 180 G CA 1.380 46.485 45.100 0.008 0.000 0.767 180 G HN 0.277 nan 8.290 nan 0.000 0.552 181 T N 1.631 116.190 114.554 0.008 0.000 2.777 181 T HA 0.059 4.409 4.350 0.000 0.000 0.266 181 T C 2.839 177.556 174.700 0.029 0.000 1.040 181 T CA 1.444 63.545 62.100 0.003 0.000 1.141 181 T CB -0.416 68.437 68.868 -0.026 0.000 0.868 181 T HN 0.385 nan 8.240 nan 0.000 0.444 182 A N 1.847 124.701 122.820 0.056 0.000 1.892 182 A HA -0.216 4.104 4.320 0.000 0.000 0.218 182 A C 2.202 179.820 177.584 0.056 0.000 1.188 182 A CA 1.924 54.036 52.037 0.126 0.000 0.631 182 A CB -0.654 18.434 19.000 0.146 0.000 0.822 182 A HN 0.598 nan 8.150 nan 0.000 0.447 183 E N -0.479 119.729 120.200 0.014 0.000 2.110 183 E HA -0.074 4.276 4.350 0.000 0.000 0.193 183 E C 2.296 178.913 176.600 0.027 0.000 0.988 183 E CA 0.865 57.257 56.400 -0.013 0.000 0.804 183 E CB -0.282 29.415 29.700 -0.005 0.000 0.745 183 E HN 0.637 nan 8.360 nan 0.000 0.458 184 A N 1.080 123.937 122.820 0.063 0.000 1.930 184 A HA -0.192 4.128 4.320 0.000 0.000 0.217 184 A C 2.115 179.754 177.584 0.091 0.000 1.175 184 A CA 1.426 53.544 52.037 0.136 0.000 0.627 184 A CB -0.377 18.706 19.000 0.138 0.000 0.815 184 A HN 0.197 nan 8.150 nan 0.000 0.443 185 M N 0.069 119.689 119.600 0.034 0.000 2.117 185 M HA -0.182 4.298 4.480 0.000 0.000 0.262 185 M C 2.029 178.338 176.300 0.016 0.000 1.065 185 M CA 1.972 57.284 55.300 0.019 0.000 1.114 185 M CB -0.740 31.915 32.600 0.091 0.000 1.361 185 M HN 0.517 nan 8.290 nan 0.000 0.408 186 Q N -0.464 119.298 119.800 -0.063 0.000 2.084 186 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 186 Q C 2.130 178.086 176.000 -0.075 0.000 0.978 186 Q CA 1.831 57.529 55.803 -0.176 0.000 0.844 186 Q CB -0.486 28.062 28.738 -0.317 0.000 0.898 186 Q HN 0.704 nan 8.270 nan 0.000 0.426 187 A N 0.366 123.185 122.820 -0.001 0.000 1.930 187 A HA -0.172 4.148 4.320 0.000 0.000 0.217 187 A C 1.862 179.396 177.584 -0.084 0.000 1.175 187 A CA 0.966 53.050 52.037 0.080 0.000 0.627 187 A CB -0.729 18.433 19.000 0.269 0.000 0.815 187 A HN 0.478 nan 8.150 nan 0.000 0.443 188 F N 0.575 120.166 119.950 -0.599 0.000 2.134 188 F HA -0.141 4.386 4.527 0.000 0.000 0.299 188 F C 1.846 177.427 175.800 -0.366 0.000 1.097 188 F CA 1.755 59.113 58.000 -1.071 0.000 1.264 188 F CB -0.158 38.325 39.000 -0.860 0.000 1.001 188 F HN 0.144 nan 8.300 nan 0.000 0.479 189 L N -0.635 120.587 121.223 -0.003 0.000 2.056 189 L HA -0.196 4.144 4.340 0.000 0.000 0.207 189 L C 2.386 179.222 176.870 -0.057 0.000 1.078 189 L CA 0.883 55.724 54.840 0.003 0.000 0.749 189 L CB -0.847 41.228 42.059 0.028 0.000 0.901 189 L HN 0.016 nan 8.230 nan 0.000 0.433 190 V N -0.880 119.008 119.914 -0.044 0.000 2.343 190 V HA -0.344 3.777 4.120 0.000 0.000 0.247 190 V C 2.258 178.356 176.094 0.007 0.000 1.051 190 V CA 1.889 64.180 62.300 -0.015 0.000 1.036 190 V CB -0.671 31.158 31.823 0.009 0.000 0.654 190 V HN 0.397 nan 8.190 nan 0.000 0.451 191 Y N 0.405 120.637 120.300 -0.113 0.000 2.128 191 Y HA -0.262 4.288 4.550 0.000 0.000 0.284 191 Y C 2.243 178.059 175.900 -0.139 0.000 1.154 191 Y CA 1.756 59.805 58.100 -0.084 0.000 1.149 191 Y CB -0.302 38.138 38.460 -0.033 0.000 0.976 191 Y HN 0.141 nan 8.280 nan 0.000 0.505 192 L N -0.259 120.847 121.223 -0.195 0.000 2.042 192 L HA -0.286 4.055 4.340 0.000 0.000 0.210 192 L C 2.592 179.374 176.870 -0.147 0.000 1.076 192 L CA 1.395 56.108 54.840 -0.212 0.000 0.749 192 L CB -0.610 41.348 42.059 -0.168 0.000 0.893 192 L HN 0.278 nan 8.230 nan 0.000 0.432 193 Q N -0.065 119.676 119.800 -0.098 0.000 2.124 193 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 193 Q C 2.030 177.977 176.000 -0.089 0.000 0.977 193 Q CA 1.494 57.259 55.803 -0.063 0.000 0.850 193 Q CB -0.142 28.575 28.738 -0.037 0.000 0.901 193 Q HN 0.606 nan 8.270 nan 0.000 0.429 194 E N -0.239 119.880 120.200 -0.136 0.000 2.158 194 E HA -0.106 4.244 4.350 0.000 0.000 0.191 194 E C 1.901 178.385 176.600 -0.195 0.000 0.982 194 E CA 0.517 56.832 56.400 -0.142 0.000 0.823 194 E CB 0.280 29.901 29.700 -0.131 0.000 0.766 194 E HN 0.247 nan 8.360 nan 0.000 0.468 195 Q N 0.740 120.356 119.800 -0.306 0.000 2.373 195 Q HA 0.026 4.367 4.340 0.000 0.000 0.210 195 Q C 0.543 176.447 176.000 -0.160 0.000 0.913 195 Q CA 0.301 55.922 55.803 -0.303 0.000 0.911 195 Q CB 0.176 28.583 28.738 -0.552 0.000 1.040 195 Q HN 0.250 nan 8.270 nan 0.000 0.521 196 K N 2.445 122.774 120.400 -0.118 0.000 2.336 196 K HA 0.190 4.510 4.320 0.000 0.000 0.262 196 K C -2.198 174.388 176.600 -0.024 0.000 0.992 196 K CA -1.135 55.127 56.287 -0.041 0.000 0.927 196 K CB -0.235 32.266 32.500 0.002 0.000 0.956 196 K HN -0.187 nan 8.250 nan 0.000 0.495 197 P HA 0.037 nan 4.420 nan 0.000 0.272 197 P C -0.710 176.597 177.300 0.012 0.000 1.230 197 P CA -0.168 62.933 63.100 0.001 0.000 0.788 197 P CB 0.419 32.122 31.700 0.005 0.000 0.949 198 E N 0.234 120.441 120.200 0.012 0.000 2.452 198 E HA 0.215 4.565 4.350 0.000 0.000 0.261 198 E C 1.461 178.080 176.600 0.032 0.000 0.987 198 E CA 1.141 57.554 56.400 0.021 0.000 0.926 198 E CB -0.232 29.478 29.700 0.017 0.000 0.934 198 E HN 0.827 nan 8.360 nan 0.000 0.452 199 G N 2.397 111.226 108.800 0.049 0.000 2.258 199 G HA2 -0.321 3.639 3.960 0.000 0.000 0.233 199 G HA3 -0.321 3.639 3.960 0.000 0.000 0.233 199 G C 0.453 175.411 174.900 0.097 0.000 1.006 199 G CA 0.290 45.430 45.100 0.065 0.000 0.620 199 G HN 0.502 nan 8.290 nan 0.000 0.511 200 M N 1.901 121.554 119.600 0.088 0.000 2.238 200 M HA 0.488 4.969 4.480 0.000 0.000 0.347 200 M C 0.029 176.437 176.300 0.180 0.000 1.173 200 M CA -0.287 55.088 55.300 0.125 0.000 1.147 200 M CB 0.471 33.131 32.600 0.099 0.000 1.547 200 M HN 0.286 nan 8.290 nan 0.000 0.455 201 H N 5.872 125.028 119.070 0.142 0.000 2.505 201 H HA 0.412 4.968 4.556 0.000 0.000 0.338 201 H C -1.563 173.909 175.328 0.239 0.000 1.057 201 H CA -0.644 55.511 56.048 0.179 0.000 1.202 201 H CB 1.059 30.926 29.762 0.175 0.000 1.466 201 H HN 0.557 nan 8.280 nan 0.000 0.499 202 I N 6.385 127.015 120.570 0.101 0.000 2.355 202 I HA 0.227 4.397 4.170 0.000 0.000 0.288 202 I C 0.266 176.562 176.117 0.299 0.000 0.999 202 I CA -0.500 60.974 61.300 0.291 0.000 1.163 202 I CB 1.207 39.350 38.000 0.239 0.000 1.316 202 I HN 0.553 nan 8.210 nan 0.000 0.454 203 M N 7.003 126.911 119.600 0.513 0.000 2.336 203 M HA 0.404 4.884 4.480 0.000 0.000 0.342 203 M C -1.593 174.945 176.300 0.395 0.000 1.128 203 M CA -0.453 55.163 55.300 0.526 0.000 1.016 203 M CB 2.433 35.432 32.600 0.665 0.000 1.665 203 M HN 0.713 nan 8.290 nan 0.000 0.445 204 W N 5.732 127.137 121.300 0.176 0.000 2.573 204 W HA 0.335 4.995 4.660 0.000 0.000 0.326 204 W C -2.222 174.347 176.519 0.084 0.000 1.049 204 W CA -0.837 56.559 57.345 0.086 0.000 1.220 204 W CB 0.924 30.476 29.460 0.153 0.000 1.373 204 W HN 0.729 nan 8.180 nan 0.000 0.507 205 Y N 4.900 124.689 120.300 -0.851 0.000 2.335 205 Y HA 0.032 4.582 4.550 0.000 0.000 0.331 205 Y C 0.622 176.103 175.900 -0.699 0.000 1.094 205 Y CA 0.336 58.101 58.100 -0.559 0.000 1.253 205 Y CB 0.643 38.834 38.460 -0.447 0.000 1.203 205 Y HN 0.446 nan 8.280 nan 0.000 0.508 206 D N 3.413 123.645 120.400 -0.280 0.000 2.385 206 D HA 0.073 4.713 4.640 0.000 0.000 0.260 206 D C -0.031 176.460 176.300 0.318 0.000 1.326 206 D CA 0.858 54.882 54.000 0.040 0.000 1.023 206 D CB 0.142 40.952 40.800 0.016 0.000 1.083 206 D HN 0.607 nan 8.370 nan 0.000 0.517 207 S N 3.217 119.002 115.700 0.142 0.000 4.948 207 S HA 0.116 4.586 4.470 0.000 0.000 0.154 207 S C 0.636 175.154 174.600 -0.136 0.000 1.026 207 S CA -0.663 57.562 58.200 0.040 0.000 1.308 207 S CB -0.425 62.815 63.200 0.067 0.000 1.915 207 S HN 0.391 nan 8.310 nan 0.000 0.680 208 M N 3.694 123.232 119.600 -0.103 0.000 2.227 208 M HA 0.411 4.891 4.480 0.000 0.000 0.349 208 M C -0.152 176.146 176.300 -0.003 0.000 1.443 208 M CA -0.567 54.701 55.300 -0.054 0.000 1.110 208 M CB 0.257 32.866 32.600 0.015 0.000 1.773 208 M HN 0.614 nan 8.290 nan 0.000 0.463 209 I N 1.895 122.507 120.570 0.071 0.000 3.640 209 I HA 0.335 4.506 4.170 0.000 0.000 0.288 209 I C 0.865 177.180 176.117 0.330 0.000 1.248 209 I CA -0.868 60.557 61.300 0.209 0.000 0.911 209 I CB 0.300 38.377 38.000 0.127 0.000 1.533 209 I HN 0.694 nan 8.210 nan 0.000 0.686 210 D N 0.031 120.597 120.400 0.276 0.000 2.221 210 D HA -0.234 4.406 4.640 0.000 0.000 0.204 210 D C 1.801 178.166 176.300 0.108 0.000 0.982 210 D CA 2.081 56.182 54.000 0.170 0.000 0.857 210 D CB -1.114 39.727 40.800 0.068 0.000 0.934 210 D HN 0.849 nan 8.370 nan 0.000 0.475 211 T N -4.416 110.190 114.554 0.087 0.000 3.085 211 T HA 0.322 4.673 4.350 0.000 0.000 0.263 211 T C 1.831 176.559 174.700 0.046 0.000 1.127 211 T CA 1.005 63.134 62.100 0.048 0.000 1.103 211 T CB -0.057 68.829 68.868 0.029 0.000 0.921 211 T HN 0.459 nan 8.240 nan 0.000 0.510 212 G N 1.070 109.914 108.800 0.073 0.000 2.234 212 G HA2 -0.034 3.927 3.960 0.000 0.000 0.235 212 G HA3 -0.034 3.927 3.960 0.000 0.000 0.235 212 G C 0.373 175.271 174.900 -0.003 0.000 0.997 212 G CA -0.112 45.016 45.100 0.047 0.000 0.623 212 G HN 1.168 nan 8.290 nan 0.000 0.514 213 A N 1.079 123.888 122.820 -0.018 0.000 2.386 213 A HA 0.603 4.923 4.320 0.000 0.000 0.248 213 A C 0.622 178.126 177.584 -0.134 0.000 1.082 213 A CA 0.007 52.002 52.037 -0.071 0.000 0.789 213 A CB 0.197 19.158 19.000 -0.065 0.000 1.025 213 A HN 0.635 nan 8.150 nan 0.000 0.490 214 I N 1.350 121.784 120.570 -0.227 0.000 2.363 214 I HA 0.365 4.535 4.170 0.000 0.000 0.292 214 I C 0.687 176.446 176.117 -0.597 0.000 1.075 214 I CA 0.349 61.383 61.300 -0.443 0.000 1.333 214 I CB -0.080 37.624 38.000 -0.494 0.000 1.415 214 I HN 0.621 nan 8.210 nan 0.000 0.502 215 A N 8.492 130.997 122.820 -0.524 0.000 3.156 215 A HA 0.340 4.660 4.320 0.000 0.000 0.311 215 A C -0.555 176.954 177.584 -0.125 0.000 1.129 215 A CA -0.711 51.131 52.037 -0.326 0.000 0.809 215 A CB 0.255 19.198 19.000 -0.096 0.000 1.257 215 A HN 0.594 nan 8.150 nan 0.000 0.491 216 W N 1.675 123.060 121.300 0.141 0.000 2.343 216 W HA 0.027 4.687 4.660 0.000 0.000 0.337 216 W C 0.418 177.052 176.519 0.191 0.000 1.320 216 W CA -0.040 57.406 57.345 0.169 0.000 1.290 216 W CB 0.227 29.803 29.460 0.192 0.000 1.206 216 W HN 0.645 nan 8.180 nan 0.000 0.565 217 Q N 1.746 121.770 119.800 0.372 0.000 2.339 217 Q HA -0.092 4.248 4.340 0.000 0.000 0.205 217 Q C 0.944 177.171 176.000 0.378 0.000 0.925 217 Q CA 0.572 56.575 55.803 0.333 0.000 0.898 217 Q CB -0.001 28.889 28.738 0.253 0.000 1.013 217 Q HN 0.567 nan 8.270 nan 0.000 0.504 218 N N 0.080 118.931 118.700 0.252 0.000 2.863 218 N HA -0.184 4.556 4.740 0.000 0.000 0.245 218 N C -0.648 174.600 175.510 -0.436 0.000 1.001 218 N CA 1.298 54.370 53.050 0.035 0.000 0.901 218 N CB -1.131 37.459 38.487 0.172 0.000 1.124 218 N HN 0.445 nan 8.380 nan 0.000 0.582 219 H N -1.204 117.879 119.070 0.020 0.000 3.014 219 H HA 0.513 5.069 4.556 0.000 0.000 0.337 219 H C -0.770 174.548 175.328 -0.016 0.000 1.320 219 H CA -0.778 55.236 56.048 -0.057 0.000 1.128 219 H CB 0.863 30.600 29.762 -0.042 0.000 1.862 219 H HN 0.010 nan 8.280 nan 0.000 0.536 220 L N 2.295 123.565 121.223 0.077 0.000 2.361 220 L HA 0.472 4.812 4.340 0.000 0.000 0.278 220 L C -0.015 176.901 176.870 0.077 0.000 1.113 220 L CA 0.477 55.360 54.840 0.072 0.000 0.849 220 L CB -0.133 41.940 42.059 0.023 0.000 1.155 220 L HN 0.891 nan 8.230 nan 0.000 0.452 221 T N -0.468 114.142 114.554 0.095 0.000 2.838 221 T HA 0.359 4.709 4.350 0.000 0.000 0.292 221 T C 0.511 175.251 174.700 0.067 0.000 1.113 221 T CA -0.665 61.476 62.100 0.069 0.000 1.008 221 T CB 0.997 69.915 68.868 0.083 0.000 1.259 221 T HN 0.437 nan 8.240 nan 0.000 0.520 222 D N -0.117 120.310 120.400 0.045 0.000 2.311 222 D HA -0.041 4.599 4.640 0.000 0.000 0.212 222 D C 1.871 178.209 176.300 0.062 0.000 0.972 222 D CA 0.722 54.747 54.000 0.040 0.000 0.887 222 D CB 0.075 40.889 40.800 0.023 0.000 0.915 222 D HN 0.355 nan 8.370 nan 0.000 0.497 223 R N 0.359 120.913 120.500 0.090 0.000 2.210 223 R HA 0.032 4.372 4.340 0.000 0.000 0.203 223 R C 1.058 177.471 176.300 0.188 0.000 1.010 223 R CA 0.619 56.789 56.100 0.117 0.000 1.008 223 R CB -0.060 30.307 30.300 0.113 0.000 0.923 223 R HN 0.326 nan 8.270 nan 0.000 0.469 224 N N 0.077 118.904 118.700 0.212 0.000 2.145 224 N HA -0.064 4.676 4.740 0.000 0.000 0.219 224 N C 1.172 176.861 175.510 0.299 0.000 1.266 224 N CA 0.060 53.317 53.050 0.346 0.000 0.902 224 N CB -0.108 38.582 38.487 0.340 0.000 1.078 224 N HN 0.134 nan 8.380 nan 0.000 0.513 225 K N 1.144 121.637 120.400 0.155 0.000 2.211 225 K HA -0.089 4.232 4.320 0.000 0.000 0.204 225 K C 1.669 178.281 176.600 0.021 0.000 1.047 225 K CA 1.374 57.714 56.287 0.090 0.000 0.935 225 K CB -0.363 32.165 32.500 0.047 0.000 0.728 225 K HN 0.198 nan 8.250 nan 0.000 0.452 226 M N -0.368 119.201 119.600 -0.052 0.000 2.630 226 M HA -0.038 4.442 4.480 0.000 0.000 0.254 226 M C 0.274 176.324 176.300 -0.418 0.000 1.092 226 M CA 1.304 56.468 55.300 -0.225 0.000 1.087 226 M CB -0.927 31.497 32.600 -0.293 0.000 1.453 226 M HN 0.091 nan 8.290 nan 0.000 0.509 227 Y N 0.140 120.318 120.300 -0.203 0.000 2.466 227 Y HA 0.177 4.727 4.550 0.000 0.000 0.272 227 Y C 1.899 177.629 175.900 -0.283 0.000 1.169 227 Y CA 0.201 58.023 58.100 -0.463 0.000 1.285 227 Y CB 0.023 37.888 38.460 -0.992 0.000 1.078 227 Y HN 0.290 nan 8.280 nan 0.000 0.523 228 L N -0.845 120.375 121.223 -0.005 0.000 2.519 228 L HA 0.302 4.642 4.340 0.000 0.000 0.194 228 L C -0.187 176.686 176.870 0.005 0.000 1.072 228 L CA 0.755 55.622 54.840 0.046 0.000 0.845 228 L CB 0.516 42.635 42.059 0.099 0.000 1.138 228 L HN 0.039 nan 8.230 nan 0.000 0.487 229 Q N -0.028 119.762 119.800 -0.017 0.000 2.320 229 Q HA 0.385 4.725 4.340 0.000 0.000 0.272 229 Q C -1.684 174.289 176.000 -0.045 0.000 1.023 229 Q CA -0.333 55.456 55.803 -0.022 0.000 0.855 229 Q CB 1.295 30.032 28.738 -0.001 0.000 1.367 229 Q HN 0.137 nan 8.270 nan 0.000 0.406 230 N N 2.594 121.264 118.700 -0.050 0.000 2.573 230 N HA 0.483 5.223 4.740 0.000 0.000 0.262 230 N C 0.279 175.767 175.510 -0.036 0.000 1.029 230 N CA 1.049 54.065 53.050 -0.056 0.000 0.882 230 N CB 1.096 39.533 38.487 -0.083 0.000 1.204 230 N HN 0.895 nan 8.380 nan 0.000 0.519 231 G N 2.864 111.648 108.800 -0.027 0.000 2.660 231 G HA2 -0.386 3.574 3.960 0.000 0.000 0.321 231 G HA3 -0.386 3.574 3.960 0.000 0.000 0.321 231 G C 0.863 175.756 174.900 -0.013 0.000 1.246 231 G CA 1.031 46.120 45.100 -0.018 0.000 1.000 231 G HN 1.006 nan 8.290 nan 0.000 0.550 232 S N -0.623 115.071 115.700 -0.010 0.000 2.593 232 S HA 0.366 4.836 4.470 0.000 0.000 0.217 232 S C 0.863 175.459 174.600 -0.007 0.000 0.966 232 S CA 1.349 59.546 58.200 -0.005 0.000 0.914 232 S CB 0.140 63.339 63.200 -0.003 0.000 0.776 232 S HN 0.905 nan 8.310 nan 0.000 0.523 233 T N 3.307 117.853 114.554 -0.013 0.000 2.728 233 T HA 0.305 4.656 4.350 0.000 0.000 0.296 233 T C -0.174 174.515 174.700 -0.019 0.000 0.940 233 T CA -0.513 61.578 62.100 -0.016 0.000 1.013 233 T CB 0.847 69.701 68.868 -0.022 0.000 0.912 233 T HN 0.346 nan 8.240 nan 0.000 0.484 234 R N 3.368 123.861 120.500 -0.012 0.000 2.316 234 R HA 0.267 4.607 4.340 0.000 0.000 0.314 234 R C 0.447 176.735 176.300 -0.020 0.000 1.069 234 R CA -0.148 55.947 56.100 -0.009 0.000 0.959 234 R CB 0.288 30.588 30.300 0.001 0.000 0.987 234 R HN 0.482 nan 8.270 nan 0.000 0.446 235 V N 3.505 123.403 119.914 -0.028 0.000 2.672 235 V HA 0.265 4.385 4.120 0.000 0.000 0.242 235 V C 0.530 176.616 176.094 -0.014 0.000 1.059 235 V CA 1.266 63.537 62.300 -0.048 0.000 1.081 235 V CB 0.269 32.026 31.823 -0.110 0.000 0.752 235 V HN 0.870 nan 8.190 nan 0.000 0.472 236 A N -0.838 121.994 122.820 0.020 0.000 2.594 236 A HA 0.505 4.825 4.320 0.000 0.000 0.291 236 A C -0.053 177.559 177.584 0.048 0.000 1.105 236 A CA -0.295 51.782 52.037 0.067 0.000 0.694 236 A CB 1.047 20.141 19.000 0.157 0.000 1.291 236 A HN 0.116 nan 8.150 nan 0.000 0.410 237 D N 0.292 120.674 120.400 -0.030 0.000 2.277 237 D HA 0.062 4.702 4.640 0.000 0.000 0.208 237 D C 0.661 176.997 176.300 0.061 0.000 0.962 237 D CA 1.919 55.837 54.000 -0.138 0.000 0.865 237 D CB 0.262 40.686 40.800 -0.627 0.000 0.939 237 D HN 0.688 nan 8.370 nan 0.000 0.510 238 S N -0.897 114.931 115.700 0.212 0.000 2.615 238 S HA 0.541 5.011 4.470 0.000 0.000 0.269 238 S C -0.979 173.888 174.600 0.444 0.000 1.161 238 S CA -1.032 57.432 58.200 0.440 0.000 0.817 238 S CB 2.625 66.262 63.200 0.728 0.000 1.131 238 S HN 0.011 nan 8.310 nan 0.000 0.467 239 M N 2.079 121.948 119.600 0.448 0.000 2.326 239 M HA 0.601 5.081 4.480 0.000 0.000 0.306 239 M C -2.070 174.454 176.300 0.373 0.000 1.054 239 M CA -0.808 54.735 55.300 0.405 0.000 0.922 239 M CB 1.479 34.273 32.600 0.323 0.000 1.632 239 M HN 0.807 nan 8.290 nan 0.000 0.436 240 F N 6.117 126.152 119.950 0.142 0.000 2.404 240 F HA 0.461 4.988 4.527 0.001 0.000 0.358 240 F C -1.114 174.504 175.800 -0.304 0.000 1.120 240 F CA -0.517 57.488 58.000 0.008 0.000 1.144 240 F CB 0.559 39.599 39.000 0.067 0.000 1.133 240 F HN 0.444 nan 8.300 nan 0.000 0.495 241 L N 6.359 127.294 121.223 -0.481 0.000 2.349 241 L HA 0.168 4.508 4.340 0.000 0.000 0.275 241 L C 0.770 177.354 176.870 -0.477 0.000 1.115 241 L CA -0.332 54.271 54.840 -0.396 0.000 0.820 241 L CB 0.538 42.353 42.059 -0.407 0.000 1.135 241 L HN 0.679 nan 8.230 nan 0.000 0.445 242 N N 1.225 119.754 118.700 -0.286 0.000 2.326 242 N HA 0.011 4.751 4.740 0.000 0.000 0.239 242 N C 0.503 175.923 175.510 -0.150 0.000 1.301 242 N CA -0.257 52.608 53.050 -0.308 0.000 0.909 242 N CB 0.708 39.226 38.487 0.050 0.000 1.156 242 N HN 0.350 nan 8.380 nan 0.000 0.462 243 F N -0.232 119.827 119.950 0.182 0.000 2.558 243 F HA 0.059 4.586 4.527 0.000 0.000 0.298 243 F C 0.887 176.683 175.800 -0.006 0.000 1.119 243 F CA -0.138 57.924 58.000 0.103 0.000 1.451 243 F CB -0.254 38.752 39.000 0.010 0.000 1.091 243 F HN 0.467 nan 8.300 nan 0.000 0.563 244 W N 4.312 125.657 121.300 0.075 0.000 1.912 244 W HA 0.239 4.899 4.660 0.001 0.000 0.399 244 W C -0.530 176.034 176.519 0.076 0.000 0.800 244 W CA -1.545 55.802 57.345 0.003 0.000 1.593 244 W CB -0.281 29.212 29.460 0.054 0.000 1.769 244 W HN 0.098 nan 8.180 nan 0.000 0.281 245 W N 5.421 126.539 121.300 -0.303 0.000 3.083 245 W HA 0.458 5.118 4.660 0.000 0.000 0.333 245 W C 0.031 176.371 176.519 -0.298 0.000 1.217 245 W CA -0.952 56.167 57.345 -0.377 0.000 1.170 245 W CB 0.494 29.658 29.460 -0.493 0.000 1.437 245 W HN 0.348 nan 8.180 nan 0.000 0.557 246 R N -0.122 120.440 120.500 0.104 0.000 2.513 246 R HA 0.256 4.596 4.340 0.000 0.000 0.245 246 R C -0.524 175.961 176.300 0.309 0.000 0.908 246 R CA -0.126 56.002 56.100 0.047 0.000 1.023 246 R CB 0.938 31.172 30.300 -0.109 0.000 1.338 246 R HN 0.409 nan 8.270 nan 0.000 0.575 247 D N 0.309 120.905 120.400 0.326 0.000 2.947 247 D HA 0.143 4.783 4.640 0.000 0.000 0.224 247 D C -0.546 175.777 176.300 0.038 0.000 1.230 247 D CA -0.331 53.766 54.000 0.163 0.000 0.871 247 D CB 2.243 43.078 40.800 0.058 0.000 1.671 247 D HN -0.065 nan 8.370 nan 0.000 0.507 248 Q N 1.893 121.599 119.800 -0.157 0.000 2.194 248 Q HA 0.094 4.435 4.340 0.000 0.000 0.214 248 Q C 1.513 177.233 176.000 -0.466 0.000 0.838 248 Q CA -0.128 55.496 55.803 -0.297 0.000 0.972 248 Q CB 0.664 29.114 28.738 -0.479 0.000 1.131 248 Q HN 0.539 nan 8.270 nan 0.000 0.498 249 R N 1.635 121.684 120.500 -0.752 0.000 2.113 249 R HA -0.254 4.086 4.340 0.000 0.000 0.244 249 R C 2.111 178.171 176.300 -0.400 0.000 1.142 249 R CA 2.382 57.950 56.100 -0.887 0.000 0.953 249 R CB 0.114 30.038 30.300 -0.627 0.000 0.860 249 R HN 0.377 nan 8.270 nan 0.000 0.438 250 Q N -0.692 118.951 119.800 -0.263 0.000 2.135 250 Q HA -0.119 4.221 4.340 0.000 0.000 0.204 250 Q C 1.858 177.772 176.000 -0.143 0.000 0.981 250 Q CA 2.087 57.783 55.803 -0.178 0.000 0.856 250 Q CB -0.200 28.431 28.738 -0.180 0.000 0.902 250 Q HN 0.169 nan 8.270 nan 0.000 0.425 251 S N 1.364 116.982 115.700 -0.136 0.000 2.383 251 S HA -0.145 4.325 4.470 0.000 0.000 0.227 251 S C 1.728 176.235 174.600 -0.155 0.000 1.026 251 S CA 1.013 59.144 58.200 -0.116 0.000 0.981 251 S CB -0.461 62.661 63.200 -0.130 0.000 0.818 251 S HN 0.517 nan 8.310 nan 0.000 0.472 252 N N 1.521 120.097 118.700 -0.206 0.000 2.069 252 N HA -0.179 4.561 4.740 0.000 0.000 0.191 252 N C 1.496 176.918 175.510 -0.146 0.000 1.031 252 N CA 1.478 54.409 53.050 -0.199 0.000 0.852 252 N CB -0.147 38.235 38.487 -0.176 0.000 1.018 252 N HN 0.514 nan 8.380 nan 0.000 0.423 253 E N 0.731 120.851 120.200 -0.134 0.000 2.051 253 E HA -0.129 4.221 4.350 0.000 0.000 0.192 253 E C 2.154 178.708 176.600 -0.075 0.000 0.991 253 E CA 0.611 56.955 56.400 -0.094 0.000 0.799 253 E CB -0.094 29.552 29.700 -0.091 0.000 0.748 253 E HN 0.335 nan 8.360 nan 0.000 0.449 254 L N 0.546 121.723 121.223 -0.075 0.000 2.017 254 L HA -0.193 4.147 4.340 0.000 0.000 0.208 254 L C 2.478 179.319 176.870 -0.047 0.000 1.073 254 L CA 1.224 56.033 54.840 -0.052 0.000 0.745 254 L CB -0.421 41.613 42.059 -0.040 0.000 0.894 254 L HN 0.159 nan 8.230 nan 0.000 0.432 255 A N -0.570 122.210 122.820 -0.066 0.000 1.892 255 A HA -0.294 4.026 4.320 0.000 0.000 0.218 255 A C 2.065 179.617 177.584 -0.053 0.000 1.188 255 A CA 1.848 53.848 52.037 -0.062 0.000 0.631 255 A CB -0.566 18.373 19.000 -0.102 0.000 0.822 255 A HN 0.587 nan 8.150 nan 0.000 0.447 256 Q N -0.830 118.931 119.800 -0.065 0.000 2.084 256 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 256 Q C 2.446 178.429 176.000 -0.028 0.000 0.978 256 Q CA 1.375 57.151 55.803 -0.045 0.000 0.844 256 Q CB -0.425 28.284 28.738 -0.047 0.000 0.898 256 Q HN 0.697 nan 8.270 nan 0.000 0.426 257 A N 0.986 123.789 122.820 -0.030 0.000 1.978 257 A HA -0.143 4.177 4.320 0.000 0.000 0.220 257 A C 1.961 179.536 177.584 -0.015 0.000 1.170 257 A CA 1.069 53.094 52.037 -0.021 0.000 0.636 257 A CB -0.523 18.463 19.000 -0.023 0.000 0.810 257 A HN 0.304 nan 8.150 nan 0.000 0.448 258 L N -1.247 119.967 121.223 -0.016 0.000 2.554 258 L HA 0.129 4.469 4.340 0.000 0.000 0.226 258 L C 1.579 178.447 176.870 -0.004 0.000 1.137 258 L CA 0.517 55.351 54.840 -0.009 0.000 0.863 258 L CB -0.245 41.810 42.059 -0.006 0.000 0.985 258 L HN 0.611 nan 8.230 nan 0.000 0.451 259 G N 0.754 109.551 108.800 -0.005 0.000 2.198 259 G HA2 -0.238 3.722 3.960 0.000 0.000 0.257 259 G HA3 -0.238 3.722 3.960 0.000 0.000 0.257 259 G C 0.063 174.969 174.900 0.011 0.000 1.042 259 G CA -0.087 45.015 45.100 0.003 0.000 0.791 259 G HN 0.189 nan 8.290 nan 0.000 0.502 260 R N -0.127 120.375 120.500 0.004 0.000 2.778 260 R HA 0.637 4.977 4.340 0.000 0.000 0.277 260 R C 0.338 176.638 176.300 -0.001 0.000 0.977 260 R CA -0.451 55.659 56.100 0.017 0.000 0.950 260 R CB 1.419 31.732 30.300 0.022 0.000 1.165 260 R HN 0.316 nan 8.270 nan 0.000 0.474 261 S N 2.152 117.869 115.700 0.029 0.000 2.537 261 S HA 0.085 4.555 4.470 0.000 0.000 0.286 261 S C -1.447 173.073 174.600 -0.133 0.000 1.299 261 S CA -1.015 57.185 58.200 -0.000 0.000 1.067 261 S CB 0.482 63.764 63.200 0.137 0.000 0.864 261 S HN 0.264 nan 8.310 nan 0.000 0.494 262 P HA -0.054 nan 4.420 nan 0.000 0.223 262 P C 0.084 177.019 177.300 -0.610 0.000 1.144 262 P CA 1.076 63.863 63.100 -0.522 0.000 0.783 262 P CB -0.081 31.172 31.700 -0.745 0.000 0.771 263 Y N -0.829 119.417 120.300 -0.089 0.000 2.529 263 Y HA 0.019 4.569 4.550 0.000 0.000 0.290 263 Y C 1.468 177.308 175.900 -0.100 0.000 1.177 263 Y CA 0.224 58.219 58.100 -0.176 0.000 1.305 263 Y CB -1.015 37.285 38.460 -0.267 0.000 1.047 263 Y HN -0.030 nan 8.280 nan 0.000 0.522 264 D N -0.059 120.388 120.400 0.078 0.000 2.340 264 D HA 0.101 4.741 4.640 0.000 0.000 0.220 264 D C -0.011 176.393 176.300 0.174 0.000 1.039 264 D CA 0.473 54.613 54.000 0.233 0.000 0.866 264 D CB 0.194 41.138 40.800 0.239 0.000 0.913 264 D HN 0.242 nan 8.370 nan 0.000 0.523 265 L N 0.861 122.036 121.223 -0.080 0.000 2.272 265 L HA 0.309 4.649 4.340 0.000 0.000 0.289 265 L C -0.733 175.979 176.870 -0.263 0.000 1.032 265 L CA -0.764 54.033 54.840 -0.072 0.000 0.810 265 L CB 0.846 42.813 42.059 -0.154 0.000 1.205 265 L HN -0.129 nan 8.230 nan 0.000 0.422 266 Y N 2.092 122.355 120.300 -0.062 0.000 2.417 266 Y HA 0.450 5.000 4.550 0.001 0.000 0.336 266 Y C 0.650 176.283 175.900 -0.446 0.000 0.961 266 Y CA -0.748 57.270 58.100 -0.137 0.000 1.215 266 Y CB 1.487 39.962 38.460 0.025 0.000 1.120 266 Y HN 0.645 nan 8.280 nan 0.000 0.499 267 A N 3.097 125.701 122.820 -0.359 0.000 2.444 267 A HA 0.461 4.782 4.320 0.000 0.000 0.273 267 A C 0.856 178.275 177.584 -0.275 0.000 1.136 267 A CA 0.058 51.767 52.037 -0.547 0.000 0.799 267 A CB -0.356 18.084 19.000 -0.933 0.000 1.081 267 A HN 0.882 nan 8.150 nan 0.000 0.509 268 G N 1.185 109.784 108.800 -0.335 0.000 2.406 268 G HA2 0.479 4.439 3.960 0.000 0.000 0.251 268 G HA3 0.479 4.439 3.960 0.000 0.000 0.251 268 G C -0.495 174.776 174.900 0.619 0.000 1.271 268 G CA -0.128 44.913 45.100 -0.097 0.000 0.859 268 G HN 0.812 nan 8.290 nan 0.000 0.540 269 V N 2.678 122.974 119.914 0.638 0.000 2.588 269 V HA 0.251 4.371 4.120 0.000 0.000 0.304 269 V C -0.911 175.356 176.094 0.289 0.000 1.042 269 V CA -0.868 61.678 62.300 0.409 0.000 0.877 269 V CB 2.029 34.000 31.823 0.246 0.000 0.996 269 V HN 0.801 nan 8.190 nan 0.000 0.425 270 D N 3.714 124.002 120.400 -0.187 0.000 2.428 270 D HA 0.273 4.913 4.640 0.000 0.000 0.221 270 D C 0.577 176.765 176.300 -0.186 0.000 1.123 270 D CA -0.215 53.550 54.000 -0.393 0.000 0.869 270 D CB 1.674 41.816 40.800 -1.096 0.000 1.032 270 D HN 0.407 nan 8.370 nan 0.000 0.506 271 V N 1.221 121.075 119.914 -0.099 0.000 3.483 271 V HA 0.215 4.335 4.120 0.000 0.000 0.301 271 V C 1.608 177.536 176.094 -0.276 0.000 1.389 271 V CA 0.030 62.218 62.300 -0.187 0.000 1.101 271 V CB -0.042 31.759 31.823 -0.036 0.000 0.971 271 V HN 0.480 nan 8.190 nan 0.000 0.434 272 E N 1.803 121.872 120.200 -0.218 0.000 2.070 272 E HA -0.230 4.120 4.350 0.000 0.000 0.197 272 E C 2.059 178.631 176.600 -0.047 0.000 1.004 272 E CA 2.178 58.472 56.400 -0.177 0.000 0.805 272 E CB -0.109 29.457 29.700 -0.224 0.000 0.744 272 E HN 0.729 nan 8.360 nan 0.000 0.451 273 A N 0.402 123.162 122.820 -0.100 0.000 1.943 273 A HA 0.036 4.357 4.320 0.000 0.000 0.213 273 A C 1.992 179.550 177.584 -0.044 0.000 1.181 273 A CA 0.831 52.856 52.037 -0.020 0.000 0.653 273 A CB 0.026 18.995 19.000 -0.053 0.000 0.833 273 A HN 0.132 nan 8.150 nan 0.000 0.451 274 R N -1.515 118.791 120.500 -0.324 0.000 2.404 274 R HA 0.300 4.640 4.340 0.000 0.000 0.237 274 R C 1.457 177.111 176.300 -1.077 0.000 0.907 274 R CA 0.411 56.250 56.100 -0.435 0.000 1.063 274 R CB 0.232 30.358 30.300 -0.289 0.000 1.134 274 R HN 0.543 nan 8.270 nan 0.000 0.529 275 G N 1.650 109.422 108.800 -1.715 0.000 2.660 275 G HA2 -0.494 3.466 3.960 0.000 0.000 0.321 275 G HA3 -0.494 3.466 3.960 0.000 0.000 0.321 275 G C 1.101 175.113 174.900 -1.479 0.000 1.246 275 G CA 1.438 45.188 45.100 -2.251 0.000 1.000 275 G HN 0.368 nan 8.290 nan 0.000 0.550 276 T N -2.187 111.468 114.554 -1.498 0.000 3.025 276 T HA 0.177 4.527 4.350 0.000 0.000 0.270 276 T C 2.029 176.310 174.700 -0.699 0.000 1.126 276 T CA 2.097 63.324 62.100 -1.455 0.000 1.105 276 T CB -0.075 68.269 68.868 -0.874 0.000 0.884 276 T HN 0.606 nan 8.240 nan 0.000 0.522 277 S N 1.060 116.447 115.700 -0.523 0.000 2.597 277 S HA 0.160 4.630 4.470 0.000 0.000 0.224 277 S C 0.439 174.923 174.600 -0.192 0.000 0.955 277 S CA -0.328 57.731 58.200 -0.235 0.000 0.933 277 S CB -0.041 63.062 63.200 -0.162 0.000 0.788 277 S HN 0.567 nan 8.310 nan 0.000 0.488 278 T N 5.212 119.611 114.554 -0.259 0.000 2.752 278 T HA 0.258 4.608 4.350 0.000 0.000 0.295 278 T C -2.593 172.110 174.700 0.005 0.000 0.923 278 T CA -1.088 60.926 62.100 -0.142 0.000 1.112 278 T CB 0.740 69.516 68.868 -0.153 0.000 0.884 278 T HN 0.060 nan 8.240 nan 0.000 0.525 279 P HA 0.388 nan 4.420 nan 0.000 0.276 279 P C -1.039 176.112 177.300 -0.248 0.000 1.235 279 P CA -0.372 62.677 63.100 -0.085 0.000 0.772 279 P CB 0.653 32.295 31.700 -0.097 0.000 0.871 280 V N 3.995 123.660 119.914 -0.415 0.000 2.760 280 V HA 0.196 4.316 4.120 0.000 0.000 0.309 280 V C -0.100 175.538 176.094 -0.761 0.000 1.077 280 V CA -0.717 61.084 62.300 -0.831 0.000 0.910 280 V CB 2.272 33.117 31.823 -1.630 0.000 1.008 280 V HN 0.315 nan 8.190 nan 0.000 0.424 281 Q N 3.074 122.536 119.800 -0.562 0.000 2.837 281 Q HA 0.125 4.465 4.340 0.000 0.000 0.235 281 Q C 0.625 176.579 176.000 -0.077 0.000 1.348 281 Q CA 0.075 55.737 55.803 -0.236 0.000 0.990 281 Q CB -0.015 28.636 28.738 -0.146 0.000 1.570 281 Q HN 0.866 nan 8.270 nan 0.000 0.575 282 W N 0.986 122.324 121.300 0.063 0.000 2.342 282 W HA -0.150 4.510 4.660 0.000 0.000 0.297 282 W C 1.702 178.280 176.519 0.098 0.000 1.213 282 W CA 0.447 57.827 57.345 0.059 0.000 1.251 282 W CB 0.268 29.791 29.460 0.104 0.000 1.136 282 W HN 0.437 nan 8.180 nan 0.000 0.526 283 E N -0.372 120.015 120.200 0.312 0.000 2.333 283 E HA -0.111 4.239 4.350 0.000 0.000 0.198 283 E C 2.297 178.988 176.600 0.152 0.000 1.007 283 E CA 1.248 57.779 56.400 0.218 0.000 0.845 283 E CB -0.603 29.202 29.700 0.174 0.000 0.766 283 E HN 0.414 nan 8.360 nan 0.000 0.507 284 G N 0.359 109.262 108.800 0.171 0.000 2.744 284 G HA2 -0.070 3.891 3.960 0.000 0.000 0.211 284 G HA3 -0.070 3.891 3.960 0.000 0.000 0.211 284 G C 1.366 176.327 174.900 0.101 0.000 1.143 284 G CA 0.119 45.335 45.100 0.194 0.000 0.788 284 G HN 0.160 nan 8.290 nan 0.000 0.534 285 L N -1.718 119.457 121.223 -0.079 0.000 2.624 285 L HA 0.569 4.909 4.340 0.000 0.000 0.222 285 L C -0.260 176.158 176.870 -0.753 0.000 1.046 285 L CA 0.193 54.737 54.840 -0.493 0.000 0.872 285 L CB 0.331 41.975 42.059 -0.692 0.000 1.190 285 L HN 0.013 nan 8.230 nan 0.000 0.487 286 F N 3.197 123.040 119.950 -0.179 0.000 2.449 286 F HA 0.468 4.995 4.527 0.000 0.000 0.329 286 F C -2.153 173.585 175.800 -0.104 0.000 1.245 286 F CA -2.710 55.166 58.000 -0.205 0.000 1.193 286 F CB -0.069 38.763 39.000 -0.281 0.000 1.425 286 F HN -0.033 nan 8.300 nan 0.000 0.544 287 P HA -0.011 nan 4.420 nan 0.000 0.268 287 P C -0.087 177.227 177.300 0.023 0.000 1.205 287 P CA 0.074 63.150 63.100 -0.040 0.000 0.771 287 P CB 0.986 32.581 31.700 -0.175 0.000 0.858 288 E N 1.040 121.274 120.200 0.057 0.000 2.376 288 E HA 0.236 4.586 4.350 0.000 0.000 0.266 288 E C 1.184 177.799 176.600 0.025 0.000 1.009 288 E CA 0.541 56.972 56.400 0.051 0.000 0.902 288 E CB -0.183 29.550 29.700 0.055 0.000 0.972 288 E HN 0.783 nan 8.360 nan 0.000 0.439 289 G N 3.268 112.077 108.800 0.016 0.000 2.153 289 G HA2 -0.308 3.652 3.960 0.000 0.000 0.252 289 G HA3 -0.308 3.652 3.960 0.000 0.000 0.252 289 G C -0.027 174.876 174.900 0.005 0.000 0.994 289 G CA 0.581 45.685 45.100 0.008 0.000 0.698 289 G HN 0.559 nan 8.290 nan 0.000 0.521 290 E N -0.888 119.310 120.200 -0.003 0.000 2.433 290 E HA 0.467 4.817 4.350 0.000 0.000 0.273 290 E C -0.141 176.448 176.600 -0.018 0.000 0.950 290 E CA -1.154 55.240 56.400 -0.010 0.000 0.796 290 E CB 1.489 31.175 29.700 -0.022 0.000 1.330 290 E HN 0.186 nan 8.360 nan 0.000 0.455 291 K N 0.675 121.076 120.400 0.001 0.000 2.380 291 K HA 0.265 4.585 4.320 0.000 0.000 0.267 291 K C -0.120 176.469 176.600 -0.018 0.000 0.990 291 K CA -0.193 56.110 56.287 0.027 0.000 0.946 291 K CB 0.507 33.066 32.500 0.099 0.000 0.937 291 K HN 0.519 nan 8.250 nan 0.000 0.491 292 A N 2.465 125.303 122.820 0.031 0.000 2.561 292 A HA -0.072 4.248 4.320 0.000 0.000 0.234 292 A C 0.709 178.287 177.584 -0.011 0.000 1.055 292 A CA -0.028 51.982 52.037 -0.045 0.000 0.756 292 A CB 0.071 19.089 19.000 0.030 0.000 0.986 292 A HN 0.777 nan 8.150 nan 0.000 0.505 293 H N 0.892 119.875 119.070 -0.144 0.000 2.326 293 H HA 0.005 4.561 4.556 0.000 0.000 0.301 293 H C 1.334 176.476 175.328 -0.310 0.000 1.081 293 H CA 1.985 57.905 56.048 -0.213 0.000 1.334 293 H CB -0.099 29.504 29.762 -0.266 0.000 1.385 293 H HN 0.905 nan 8.280 nan 0.000 0.504 294 T N -3.441 111.002 114.554 -0.185 0.000 2.681 294 T HA 0.505 4.856 4.350 0.000 0.000 0.296 294 T C 0.180 174.812 174.700 -0.113 0.000 1.157 294 T CA -0.905 61.038 62.100 -0.262 0.000 1.025 294 T CB 2.200 70.851 68.868 -0.362 0.000 1.441 294 T HN 0.013 nan 8.240 nan 0.000 0.504 295 S N -0.253 115.342 115.700 -0.175 0.000 2.652 295 S HA 0.691 5.161 4.470 0.000 0.000 0.267 295 S C -0.648 173.893 174.600 -0.099 0.000 1.201 295 S CA -0.683 57.426 58.200 -0.152 0.000 0.996 295 S CB 0.465 63.300 63.200 -0.609 0.000 1.054 295 S HN 0.792 nan 8.310 nan 0.000 0.561 296 L N 0.659 122.002 121.223 0.200 0.000 2.365 296 L HA 0.770 5.111 4.340 0.000 0.000 0.273 296 L C -0.195 176.908 176.870 0.389 0.000 1.000 296 L CA -0.065 54.936 54.840 0.268 0.000 0.819 296 L CB 1.198 43.543 42.059 0.477 0.000 1.284 296 L HN 0.621 nan 8.230 nan 0.000 0.418 297 G N 5.777 114.730 108.800 0.254 0.000 2.502 297 G HA2 0.553 4.513 3.960 0.000 0.000 0.311 297 G HA3 0.553 4.513 3.960 0.000 0.000 0.311 297 G C -1.235 173.959 174.900 0.491 0.000 1.270 297 G CA -0.526 44.788 45.100 0.356 0.000 0.948 297 G HN 0.591 nan 8.290 nan 0.000 0.487 298 L N 2.696 124.223 121.223 0.507 0.000 2.257 298 L HA 0.275 4.615 4.340 0.000 0.000 0.290 298 L C -0.650 176.459 176.870 0.397 0.000 1.044 298 L CA -1.063 54.046 54.840 0.448 0.000 0.810 298 L CB 1.206 43.485 42.059 0.367 0.000 1.193 298 L HN 0.575 nan 8.230 nan 0.000 0.425 299 Y N 5.705 126.174 120.300 0.282 0.000 2.477 299 Y HA 0.287 4.837 4.550 0.000 0.000 0.349 299 Y C 0.205 175.995 175.900 -0.183 0.000 0.977 299 Y CA -0.764 57.351 58.100 0.024 0.000 1.214 299 Y CB 0.068 38.662 38.460 0.223 0.000 1.124 299 Y HN 0.533 nan 8.280 nan 0.000 0.521 300 R N 4.460 124.509 120.500 -0.751 0.000 3.281 300 R HA -0.119 4.221 4.340 0.000 0.000 0.271 300 R C -2.488 173.591 176.300 -0.369 0.000 1.099 300 R CA 0.675 56.349 56.100 -0.710 0.000 0.732 300 R CB -2.137 27.582 30.300 -0.970 0.000 1.269 300 R HN 0.599 nan 8.270 nan 0.000 0.412 301 P HA -0.121 nan 4.420 nan 0.000 0.234 301 P C 0.780 177.951 177.300 -0.215 0.000 1.167 301 P CA 1.024 63.872 63.100 -0.420 0.000 0.763 301 P CB -0.027 31.423 31.700 -0.416 0.000 0.835 302 D N -1.248 119.037 120.400 -0.192 0.000 2.392 302 D HA -0.193 4.447 4.640 0.000 0.000 0.228 302 D C 1.686 177.963 176.300 -0.039 0.000 1.003 302 D CA -0.065 53.869 54.000 -0.110 0.000 0.917 302 D CB -0.953 39.720 40.800 -0.212 0.000 0.890 302 D HN 0.212 nan 8.370 nan 0.000 0.532 303 W N 2.574 123.731 121.300 -0.238 0.000 2.276 303 W HA -0.342 4.318 4.660 0.001 0.000 0.307 303 W C 2.294 178.761 176.519 -0.087 0.000 1.240 303 W CA 2.685 59.918 57.345 -0.188 0.000 1.249 303 W CB -0.300 29.021 29.460 -0.232 0.000 1.140 303 W HN 0.087 nan 8.180 nan 0.000 0.519 304 A N -0.488 122.212 122.820 -0.200 0.000 1.972 304 A HA -0.164 4.156 4.320 0.000 0.000 0.219 304 A C 1.923 179.450 177.584 -0.095 0.000 1.169 304 A CA 1.614 53.437 52.037 -0.357 0.000 0.635 304 A CB -1.244 17.860 19.000 0.174 0.000 0.810 304 A HN 0.579 nan 8.150 nan 0.000 0.446 305 F N 0.184 119.960 119.950 -0.290 0.000 2.220 305 F HA -0.010 4.518 4.527 0.000 0.000 0.290 305 F C 2.448 178.012 175.800 -0.393 0.000 1.080 305 F CA 1.607 59.206 58.000 -0.668 0.000 1.318 305 F CB -0.307 38.086 39.000 -1.012 0.000 1.063 305 F HN 0.235 nan 8.300 nan 0.000 0.498 306 Q N -0.284 119.322 119.800 -0.323 0.000 2.224 306 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 306 Q C 2.021 177.816 176.000 -0.342 0.000 0.970 306 Q CA 1.520 57.123 55.803 -0.333 0.000 0.865 306 Q CB -0.374 28.264 28.738 -0.167 0.000 0.922 306 Q HN 0.499 nan 8.270 nan 0.000 0.445 307 S N -0.949 114.503 115.700 -0.412 0.000 2.631 307 S HA 0.157 4.627 4.470 0.000 0.000 0.217 307 S C 0.560 174.946 174.600 -0.356 0.000 0.958 307 S CA -0.527 57.438 58.200 -0.391 0.000 0.920 307 S CB 0.430 63.293 63.200 -0.562 0.000 0.776 307 S HN -0.030 nan 8.310 nan 0.000 0.517 308 S N 0.687 116.173 115.700 -0.357 0.000 2.677 308 S HA 0.516 4.986 4.470 0.000 0.000 0.304 308 S C -0.021 174.333 174.600 -0.409 0.000 1.108 308 S CA -0.886 57.143 58.200 -0.285 0.000 0.944 308 S CB 1.868 64.985 63.200 -0.138 0.000 1.127 308 S HN 0.405 nan 8.310 nan 0.000 0.511 309 E N 0.205 120.109 120.200 -0.493 0.000 2.606 309 E HA 0.137 4.487 4.350 0.000 0.000 0.224 309 E C -0.261 175.718 176.600 -1.035 0.000 0.930 309 E CA 0.059 56.006 56.400 -0.756 0.000 1.125 309 E CB 1.077 30.519 29.700 -0.429 0.000 1.123 309 E HN 0.700 nan 8.360 nan 0.000 0.522 310 T N -2.271 111.851 114.554 -0.720 0.000 2.907 310 T HA 0.322 4.672 4.350 0.000 0.000 0.292 310 T C 0.695 175.303 174.700 -0.154 0.000 1.043 310 T CA -0.756 61.044 62.100 -0.500 0.000 1.003 310 T CB 2.043 70.794 68.868 -0.195 0.000 1.084 310 T HN -0.162 nan 8.240 nan 0.000 0.483 311 M N 1.325 120.841 119.600 -0.139 0.000 2.080 311 M HA -0.042 4.438 4.480 0.000 0.000 0.260 311 M C 1.782 178.076 176.300 -0.009 0.000 1.068 311 M CA 1.994 57.201 55.300 -0.155 0.000 1.109 311 M CB -1.103 30.880 32.600 -1.029 0.000 1.342 311 M HN 0.839 nan 8.290 nan 0.000 0.405 312 E N 0.091 120.316 120.200 0.043 0.000 2.058 312 E HA -0.131 4.219 4.350 0.000 0.000 0.194 312 E C 2.047 178.801 176.600 0.257 0.000 0.997 312 E CA 1.866 58.413 56.400 0.246 0.000 0.801 312 E CB -0.705 29.142 29.700 0.246 0.000 0.746 312 E HN 0.648 nan 8.360 nan 0.000 0.450 313 A N 0.373 123.296 122.820 0.172 0.000 1.930 313 A HA -0.137 4.183 4.320 0.000 0.000 0.217 313 A C 2.054 179.772 177.584 0.223 0.000 1.175 313 A CA 1.186 53.310 52.037 0.145 0.000 0.627 313 A CB -0.708 18.312 19.000 0.033 0.000 0.815 313 A HN 0.344 nan 8.150 nan 0.000 0.443 314 F N -0.416 119.615 119.950 0.136 0.000 2.102 314 F HA -0.169 4.359 4.527 0.000 0.000 0.298 314 F C 2.015 178.011 175.800 0.327 0.000 1.105 314 F CA 1.416 59.533 58.000 0.195 0.000 1.239 314 F CB -0.874 38.322 39.000 0.327 0.000 0.991 314 F HN 0.281 nan 8.300 nan 0.000 0.474 315 Y N 1.104 121.363 120.300 -0.068 0.000 2.242 315 Y HA -0.108 4.442 4.550 0.000 0.000 0.291 315 Y C 2.984 178.992 175.900 0.180 0.000 1.137 315 Y CA 1.638 59.708 58.100 -0.050 0.000 1.181 315 Y CB -1.358 37.242 38.460 0.234 0.000 0.989 315 Y HN 0.207 nan 8.280 nan 0.000 0.527 316 E N 0.456 120.869 120.200 0.355 0.000 2.085 316 E HA -0.228 4.122 4.350 0.000 0.000 0.194 316 E C 2.117 178.859 176.600 0.236 0.000 0.994 316 E CA 1.804 58.380 56.400 0.294 0.000 0.801 316 E CB -0.291 29.558 29.700 0.249 0.000 0.743 316 E HN 0.590 nan 8.360 nan 0.000 0.453 317 K N -0.245 120.264 120.400 0.183 0.000 2.097 317 K HA -0.091 4.229 4.320 0.000 0.000 0.205 317 K C 2.532 179.300 176.600 0.280 0.000 1.050 317 K CA 1.528 57.919 56.287 0.175 0.000 0.938 317 K CB -0.182 32.246 32.500 -0.120 0.000 0.718 317 K HN 0.407 nan 8.250 nan 0.000 0.442 318 E N 0.996 121.322 120.200 0.209 0.000 2.077 318 E HA -0.208 4.143 4.350 0.000 0.000 0.193 318 E C 2.139 178.830 176.600 0.151 0.000 0.989 318 E CA 0.878 57.432 56.400 0.257 0.000 0.800 318 E CB -0.131 29.621 29.700 0.085 0.000 0.746 318 E HN 0.233 nan 8.360 nan 0.000 0.452 319 L N 1.213 122.547 121.223 0.185 0.000 2.012 319 L HA -0.248 4.092 4.340 0.000 0.000 0.210 319 L C 2.502 179.485 176.870 0.189 0.000 1.073 319 L CA 1.331 56.288 54.840 0.194 0.000 0.748 319 L CB -0.076 42.184 42.059 0.336 0.000 0.891 319 L HN 0.087 nan 8.230 nan 0.000 0.431 320 Q N -0.948 118.993 119.800 0.234 0.000 2.124 320 Q HA -0.246 4.095 4.340 0.000 0.000 0.202 320 Q C 2.079 178.209 176.000 0.216 0.000 0.977 320 Q CA 1.980 57.912 55.803 0.215 0.000 0.850 320 Q CB -0.445 28.424 28.738 0.218 0.000 0.901 320 Q HN 0.564 nan 8.270 nan 0.000 0.429 321 F N -0.973 119.027 119.950 0.084 0.000 2.128 321 F HA -0.166 4.361 4.527 0.001 0.000 0.295 321 F C 1.559 177.382 175.800 0.039 0.000 1.100 321 F CA 1.209 59.202 58.000 -0.011 0.000 1.260 321 F CB -0.084 38.857 39.000 -0.097 0.000 1.009 321 F HN 0.007 nan 8.300 nan 0.000 0.476 322 W N -1.088 120.299 121.300 0.145 0.000 2.576 322 W HA 0.090 4.750 4.660 0.001 0.000 0.275 322 W C 2.062 178.461 176.519 -0.200 0.000 1.241 322 W CA 0.902 58.195 57.345 -0.086 0.000 1.328 322 W CB -0.411 28.756 29.460 -0.489 0.000 1.092 322 W HN -0.263 nan 8.180 nan 0.000 0.586 323 V N -0.668 119.307 119.914 0.103 0.000 2.922 323 V HA 0.448 4.568 4.120 0.000 0.000 0.242 323 V C 1.085 177.200 176.094 0.035 0.000 1.094 323 V CA 1.258 63.614 62.300 0.095 0.000 1.106 323 V CB -0.440 31.506 31.823 0.205 0.000 0.799 323 V HN 0.215 nan 8.190 nan 0.000 0.474 324 G N 0.509 109.361 108.800 0.087 0.000 2.525 324 G HA2 -0.150 3.810 3.960 0.000 0.000 0.685 324 G HA3 -0.150 3.810 3.960 0.000 0.000 0.685 324 G C 0.539 175.493 174.900 0.090 0.000 1.290 324 G CA 0.162 45.312 45.100 0.082 0.000 0.915 324 G HN 0.659 nan 8.290 nan 0.000 0.548 325 S N -1.641 114.102 115.700 0.072 0.000 2.515 325 S HA -0.019 4.451 4.470 0.000 0.000 0.231 325 S C 2.293 176.931 174.600 0.064 0.000 0.987 325 S CA 2.291 60.537 58.200 0.076 0.000 0.936 325 S CB -0.356 62.880 63.200 0.060 0.000 0.766 325 S HN 2.189 nan 8.310 nan 0.000 0.528 326 T N -2.105 112.473 114.554 0.042 0.000 3.067 326 T HA 0.337 4.687 4.350 0.000 0.000 0.261 326 T C 1.728 176.476 174.700 0.080 0.000 1.110 326 T CA 0.818 62.943 62.100 0.041 0.000 1.113 326 T CB -0.879 67.994 68.868 0.009 0.000 0.917 326 T HN 1.173 nan 8.240 nan 0.000 0.499 327 G N 1.516 110.384 108.800 0.114 0.000 2.168 327 G HA2 -0.266 3.694 3.960 0.000 0.000 0.257 327 G HA3 -0.266 3.694 3.960 0.000 0.000 0.257 327 G C -0.072 174.933 174.900 0.175 0.000 0.997 327 G CA 0.223 45.430 45.100 0.178 0.000 0.708 327 G HN 0.859 nan 8.290 nan 0.000 0.520 328 N N -0.349 118.417 118.700 0.111 0.000 2.558 328 N HA 0.401 5.141 4.740 0.000 0.000 0.285 328 N C -1.282 174.267 175.510 0.066 0.000 1.112 328 N CA -1.771 51.329 53.050 0.084 0.000 0.857 328 N CB 2.102 40.611 38.487 0.036 0.000 1.376 328 N HN -0.026 nan 8.380 nan 0.000 0.526 329 P HA -0.015 nan 4.420 nan 0.000 0.230 329 P C 0.697 178.034 177.300 0.061 0.000 1.158 329 P CA 0.562 63.748 63.100 0.142 0.000 0.769 329 P CB 0.389 32.299 31.700 0.351 0.000 0.807 330 A N 0.002 122.819 122.820 -0.005 0.000 2.123 330 A HA 0.002 4.322 4.320 0.000 0.000 0.214 330 A C 1.004 178.559 177.584 -0.048 0.000 1.152 330 A CA 0.599 52.604 52.037 -0.054 0.000 0.728 330 A CB -0.313 18.617 19.000 -0.117 0.000 0.814 330 A HN 0.183 nan 8.150 nan 0.000 0.464 331 E N 1.050 121.229 120.200 -0.035 0.000 3.132 331 E HA 0.194 4.544 4.350 0.000 0.000 0.241 331 E C -0.858 175.718 176.600 -0.041 0.000 1.196 331 E CA -0.281 56.096 56.400 -0.037 0.000 0.869 331 E CB 0.808 30.491 29.700 -0.029 0.000 1.387 331 E HN 0.457 nan 8.360 nan 0.000 0.393 332 T N -1.558 112.964 114.554 -0.054 0.000 2.874 332 T HA 0.266 4.616 4.350 0.000 0.000 0.281 332 T C 0.065 174.676 174.700 -0.147 0.000 0.994 332 T CA -0.827 61.213 62.100 -0.100 0.000 1.015 332 T CB 1.741 70.551 68.868 -0.096 0.000 1.028 332 T HN 0.044 nan 8.240 nan 0.000 0.523 333 D N -0.106 120.149 120.400 -0.242 0.000 2.454 333 D HA 0.366 5.006 4.640 0.000 0.000 0.225 333 D C 1.304 177.355 176.300 -0.415 0.000 1.081 333 D CA -0.616 53.244 54.000 -0.233 0.000 0.864 333 D CB 0.554 41.267 40.800 -0.146 0.000 1.040 333 D HN 0.723 nan 8.370 nan 0.000 0.517 334 G N 2.181 110.744 108.800 -0.395 0.000 2.625 334 G HA2 -0.160 3.801 3.960 0.000 0.000 0.214 334 G HA3 -0.160 3.801 3.960 0.000 0.000 0.214 334 G C 1.197 175.950 174.900 -0.245 0.000 1.132 334 G CA 1.076 45.892 45.100 -0.474 0.000 0.782 334 G HN 0.586 nan 8.290 nan 0.000 0.538 335 Q N -0.163 119.541 119.800 -0.161 0.000 2.424 335 Q HA 0.398 4.738 4.340 0.000 0.000 0.204 335 Q C 1.531 177.497 176.000 -0.057 0.000 0.933 335 Q CA 0.714 56.471 55.803 -0.075 0.000 0.929 335 Q CB -0.144 28.565 28.738 -0.048 0.000 1.037 335 Q HN 0.436 nan 8.270 nan 0.000 0.511 336 S N 0.404 116.041 115.700 -0.105 0.000 2.580 336 S HA 0.138 4.608 4.470 0.000 0.000 0.274 336 S C 0.691 175.304 174.600 0.022 0.000 1.329 336 S CA -0.367 57.807 58.200 -0.044 0.000 1.036 336 S CB 0.441 63.598 63.200 -0.073 0.000 0.919 336 S HN 0.574 nan 8.310 nan 0.000 0.515 337 N N 2.509 121.276 118.700 0.112 0.000 2.272 337 N HA -0.069 4.671 4.740 0.000 0.000 0.185 337 N C -0.128 175.615 175.510 0.388 0.000 1.014 337 N CA 0.894 54.080 53.050 0.226 0.000 0.870 337 N CB -0.033 38.570 38.487 0.193 0.000 0.975 337 N HN 0.746 nan 8.380 nan 0.000 0.433 338 W N 1.362 122.694 121.300 0.053 0.000 2.483 338 W HA 0.298 4.958 4.660 0.000 0.000 0.291 338 W C -2.384 174.008 176.519 -0.211 0.000 0.997 338 W CA -1.806 55.539 57.345 -0.000 0.000 1.591 338 W CB 1.391 30.826 29.460 -0.043 0.000 1.434 338 W HN -0.005 nan 8.180 nan 0.000 0.420 339 P HA 0.021 nan 4.420 nan 0.000 0.223 339 P C 0.502 177.413 177.300 -0.649 0.000 1.151 339 P CA 1.605 64.241 63.100 -0.774 0.000 0.787 339 P CB 0.385 31.204 31.700 -1.468 0.000 0.788 340 G N -1.467 106.877 108.800 -0.760 0.000 2.650 340 G HA2 -0.154 3.806 3.960 0.000 0.000 0.686 340 G HA3 -0.154 3.806 3.960 0.000 0.000 0.686 340 G C 0.375 174.981 174.900 -0.490 0.000 1.205 340 G CA -0.486 44.345 45.100 -0.448 0.000 0.781 340 G HN -0.191 nan 8.290 nan 0.000 0.648 341 M N 1.083 120.486 119.600 -0.329 0.000 2.296 341 M HA -0.040 4.440 4.480 0.000 0.000 0.265 341 M C 2.878 179.043 176.300 -0.225 0.000 1.064 341 M CA 2.208 57.425 55.300 -0.139 0.000 1.109 341 M CB -1.583 31.012 32.600 -0.009 0.000 1.396 341 M HN 1.303 nan 8.290 nan 0.000 0.430 342 A N -0.923 121.605 122.820 -0.486 0.000 2.076 342 A HA -0.229 4.091 4.320 0.000 0.000 0.220 342 A C 1.952 179.386 177.584 -0.251 0.000 1.160 342 A CA 1.988 53.802 52.037 -0.371 0.000 0.653 342 A CB -1.138 17.769 19.000 -0.155 0.000 0.801 342 A HN 0.569 nan 8.150 nan 0.000 0.455 343 H N -2.402 116.328 119.070 -0.566 0.000 2.457 343 H HA -0.113 4.443 4.556 0.000 0.000 0.294 343 H C 1.478 176.206 175.328 -0.999 0.000 1.064 343 H CA 1.976 57.496 56.048 -0.880 0.000 1.330 343 H CB -0.020 28.896 29.762 -1.410 0.000 1.395 343 H HN 0.677 nan 8.280 nan 0.000 0.541 344 W N -1.431 119.521 121.300 -0.580 0.000 2.904 344 W HA 0.226 4.886 4.660 0.000 0.000 0.265 344 W C -0.541 175.499 176.519 -0.800 0.000 1.138 344 W CA -0.152 56.636 57.345 -0.930 0.000 1.455 344 W CB 0.178 28.702 29.460 -1.560 0.000 0.924 344 W HN -0.050 nan 8.180 nan 0.000 0.619 345 F N 1.473 121.443 119.950 0.034 0.000 2.467 345 F HA 0.422 4.950 4.527 0.001 0.000 0.336 345 F C -2.039 173.915 175.800 0.258 0.000 1.123 345 F CA -2.687 55.417 58.000 0.174 0.000 0.964 345 F CB 0.689 39.862 39.000 0.289 0.000 1.136 345 F HN -0.449 nan 8.300 nan 0.000 0.447 346 P HA 0.131 nan 4.420 nan 0.000 0.268 346 P C -0.784 176.812 177.300 0.492 0.000 1.208 346 P CA -0.269 63.060 63.100 0.381 0.000 0.777 346 P CB 0.581 32.432 31.700 0.252 0.000 0.875 347 A N 2.904 125.971 122.820 0.413 0.000 2.401 347 A HA 0.325 4.645 4.320 0.000 0.000 0.259 347 A C 0.136 177.761 177.584 0.068 0.000 1.103 347 A CA 0.002 52.097 52.037 0.096 0.000 0.789 347 A CB -0.160 18.829 19.000 -0.018 0.000 1.035 347 A HN 0.445 nan 8.150 nan 0.000 0.491 348 K N 0.653 121.071 120.400 0.031 0.000 2.166 348 K HA 0.651 4.971 4.320 0.000 0.000 0.245 348 K C -0.425 176.148 176.600 -0.045 0.000 0.967 348 K CA -0.380 55.922 56.287 0.025 0.000 0.863 348 K CB 1.882 34.431 32.500 0.082 0.000 1.107 348 K HN 0.635 nan 8.250 nan 0.000 0.436 349 S N -0.191 115.470 115.700 -0.065 0.000 2.547 349 S HA 0.248 4.718 4.470 0.000 0.000 0.281 349 S C -0.097 174.452 174.600 -0.085 0.000 1.118 349 S CA -0.720 57.414 58.200 -0.109 0.000 0.947 349 S CB 1.207 64.292 63.200 -0.193 0.000 1.053 349 S HN 0.670 nan 8.310 nan 0.000 0.482 350 T N 1.167 115.678 114.554 -0.071 0.000 3.186 350 T HA 0.388 4.739 4.350 0.000 0.000 0.257 350 T C 0.691 175.326 174.700 -0.109 0.000 1.029 350 T CA 0.178 62.243 62.100 -0.058 0.000 0.916 350 T CB -0.001 68.861 68.868 -0.010 0.000 1.041 350 T HN 0.788 nan 8.240 nan 0.000 0.562 351 A N 2.179 124.825 122.820 -0.290 0.000 3.048 351 A HA 0.462 4.782 4.320 0.000 0.000 0.264 351 A C 1.425 178.774 177.584 -0.391 0.000 1.796 351 A CA -0.123 51.523 52.037 -0.652 0.000 1.445 351 A CB -1.051 17.141 19.000 -1.347 0.000 1.074 351 A HN 0.588 nan 8.150 nan 0.000 0.621 352 T N -2.927 111.518 114.554 -0.181 0.000 3.144 352 T HA 0.367 4.717 4.350 0.000 0.000 0.290 352 T C 0.271 174.938 174.700 -0.055 0.000 0.966 352 T CA 0.415 62.448 62.100 -0.112 0.000 0.907 352 T CB -0.492 68.330 68.868 -0.075 0.000 1.152 352 T HN 0.881 nan 8.240 nan 0.000 0.532 353 S N 0.140 115.826 115.700 -0.023 0.000 2.546 353 S HA 0.773 5.243 4.470 0.000 0.000 0.274 353 S C -0.995 173.632 174.600 0.044 0.000 1.121 353 S CA -0.760 57.447 58.200 0.012 0.000 0.887 353 S CB 1.989 65.204 63.200 0.025 0.000 1.094 353 S HN 0.122 nan 8.310 nan 0.000 0.474 354 V N 3.293 123.228 119.914 0.035 0.000 2.427 354 V HA 0.576 4.697 4.120 0.000 0.000 0.286 354 V C -1.890 174.230 176.094 0.044 0.000 1.034 354 V CA -1.472 60.856 62.300 0.046 0.000 0.893 354 V CB 1.111 32.948 31.823 0.024 0.000 0.982 354 V HN 0.938 nan 8.190 nan 0.000 0.452 355 P HA 0.316 nan 4.420 nan 0.000 0.279 355 P C -1.162 176.186 177.300 0.080 0.000 1.239 355 P CA -0.327 62.801 63.100 0.047 0.000 0.789 355 P CB 0.798 32.513 31.700 0.023 0.000 0.933 356 F N 3.805 123.707 119.950 -0.080 0.000 2.404 356 F HA 0.462 4.989 4.527 0.000 0.000 0.354 356 F C -1.138 174.564 175.800 -0.163 0.000 1.122 356 F CA -0.867 57.056 58.000 -0.130 0.000 1.080 356 F CB 1.021 39.912 39.000 -0.181 0.000 1.131 356 F HN 0.051 nan 8.300 nan 0.000 0.471 357 V N 5.274 124.626 119.914 -0.937 0.000 2.638 357 V HA 0.561 4.681 4.120 0.000 0.000 0.306 357 V C -0.445 175.043 176.094 -1.010 0.000 1.052 357 V CA -0.595 61.226 62.300 -0.799 0.000 0.885 357 V CB 1.887 33.480 31.823 -0.383 0.000 0.999 357 V HN 0.854 nan 8.190 nan 0.000 0.424 358 T N 2.101 116.041 114.554 -1.024 0.000 2.909 358 T HA 0.510 4.860 4.350 0.000 0.000 0.299 358 T C -0.217 173.925 174.700 -0.931 0.000 1.073 358 T CA -0.406 61.180 62.100 -0.857 0.000 0.999 358 T CB 1.170 69.507 68.868 -0.884 0.000 1.098 358 T HN 0.795 nan 8.240 nan 0.000 0.477 359 H N 3.507 122.282 119.070 -0.491 0.000 2.662 359 H HA 0.199 4.755 4.556 0.000 0.000 0.268 359 H C -0.140 175.231 175.328 0.071 0.000 1.152 359 H CA -0.236 55.677 56.048 -0.224 0.000 1.072 359 H CB 0.123 29.726 29.762 -0.264 0.000 1.660 359 H HN 0.743 nan 8.280 nan 0.000 0.584 360 F N 0.710 120.783 119.950 0.205 0.000 3.093 360 F HA -0.265 4.262 4.527 0.000 0.000 0.287 360 F C 0.701 176.644 175.800 0.239 0.000 0.882 360 F CA 0.166 58.361 58.000 0.325 0.000 1.063 360 F CB -2.013 37.233 39.000 0.411 0.000 1.097 360 F HN 0.282 nan 8.300 nan 0.000 0.604 361 N N 1.341 120.196 118.700 0.259 0.000 2.420 361 N HA 0.091 4.832 4.740 0.000 0.000 0.262 361 N C 1.226 176.859 175.510 0.206 0.000 1.144 361 N CA 0.950 54.146 53.050 0.244 0.000 0.952 361 N CB 1.081 39.712 38.487 0.240 0.000 1.081 361 N HN 0.340 nan 8.380 nan 0.000 0.480 362 T N 0.543 115.205 114.554 0.179 0.000 3.100 362 T HA 0.213 4.563 4.350 0.000 0.000 0.253 362 T C 1.207 176.033 174.700 0.210 0.000 1.118 362 T CA 0.513 62.690 62.100 0.128 0.000 1.058 362 T CB 0.017 68.950 68.868 0.109 0.000 0.953 362 T HN 0.622 nan 8.240 nan 0.000 0.515 363 G N 0.757 109.706 108.800 0.247 0.000 2.201 363 G HA2 -0.115 3.845 3.960 0.000 0.000 0.212 363 G HA3 -0.115 3.845 3.960 0.000 0.000 0.212 363 G C 0.193 175.072 174.900 -0.036 0.000 0.994 363 G CA 0.206 45.444 45.100 0.230 0.000 0.644 363 G HN 1.531 nan 8.290 nan 0.000 0.508 364 S N -1.393 114.106 115.700 -0.334 0.000 2.625 364 S HA 0.958 5.428 4.470 0.000 0.000 0.271 364 S C -0.302 173.797 174.600 -0.835 0.000 1.161 364 S CA 0.324 57.945 58.200 -0.966 0.000 0.820 364 S CB 2.094 65.050 63.200 -0.406 0.000 1.137 364 S HN 2.045 nan 8.310 nan 0.000 0.470 365 G N -0.921 107.210 108.800 -1.115 0.000 2.646 365 G HA2 0.698 4.659 3.960 0.000 0.000 0.291 365 G HA3 0.698 4.659 3.960 0.000 0.000 0.291 365 G C 0.251 174.733 174.900 -0.697 0.000 1.445 365 G CA -0.171 44.617 45.100 -0.521 0.000 0.814 365 G HN 1.336 nan 8.290 nan 0.000 0.495 366 A N -0.715 121.616 122.820 -0.815 0.000 2.072 366 A HA 0.490 4.810 4.320 0.000 0.000 0.216 366 A C 1.029 178.591 177.584 -0.036 0.000 1.156 366 A CA 1.477 53.204 52.037 -0.517 0.000 0.701 366 A CB 0.008 18.688 19.000 -0.534 0.000 0.816 366 A HN 0.578 nan 8.150 nan 0.000 0.458 367 Q N -3.250 116.637 119.800 0.145 0.000 2.626 367 Q HA 0.697 5.037 4.340 0.000 0.000 0.300 367 Q C -1.766 174.529 176.000 0.492 0.000 0.988 367 Q CA -0.383 55.598 55.803 0.296 0.000 0.761 367 Q CB 2.110 30.943 28.738 0.159 0.000 1.494 367 Q HN 0.324 nan 8.270 nan 0.000 0.439 368 F N 0.094 120.151 119.950 0.177 0.000 2.529 368 F HA 0.711 5.238 4.527 0.000 0.000 0.320 368 F C -0.865 174.938 175.800 0.004 0.000 1.118 368 F CA -0.267 57.745 58.000 0.021 0.000 0.915 368 F CB 1.783 40.600 39.000 -0.304 0.000 1.161 368 F HN 0.387 nan 8.300 nan 0.000 0.445 369 S N 3.189 118.910 115.700 0.036 0.000 2.536 369 S HA 0.892 5.363 4.470 0.000 0.000 0.298 369 S C -1.058 173.548 174.600 0.011 0.000 1.083 369 S CA -0.706 57.518 58.200 0.040 0.000 0.995 369 S CB 1.787 64.969 63.200 -0.029 0.000 1.058 369 S HN 0.777 nan 8.310 nan 0.000 0.488 370 A N 1.585 124.394 122.820 -0.018 0.000 2.343 370 A HA 0.705 5.025 4.320 0.000 0.000 0.308 370 A C 0.050 177.438 177.584 -0.326 0.000 1.092 370 A CA -0.636 51.330 52.037 -0.118 0.000 0.751 370 A CB 0.203 19.228 19.000 0.042 0.000 1.203 370 A HN 0.922 nan 8.150 nan 0.000 0.452 371 E N 1.223 120.998 120.200 -0.709 0.000 2.403 371 E HA -0.291 4.059 4.350 0.000 0.000 0.241 371 E C 1.045 177.251 176.600 -0.657 0.000 1.201 371 E CA 1.173 56.966 56.400 -1.011 0.000 0.721 371 E CB -1.527 27.933 29.700 -0.400 0.000 1.245 371 E HN 2.244 nan 8.360 nan 0.000 0.392 372 G N 0.056 108.468 108.800 -0.647 0.000 2.162 372 G HA2 -0.380 3.581 3.960 0.000 0.000 0.260 372 G HA3 -0.380 3.581 3.960 0.000 0.000 0.260 372 G C -0.011 174.947 174.900 0.098 0.000 0.976 372 G CA 1.001 46.041 45.100 -0.100 0.000 0.655 372 G HN 0.342 nan 8.290 nan 0.000 0.533 373 K N 0.503 120.897 120.400 -0.010 0.000 2.182 373 K HA 0.693 5.013 4.320 0.000 0.000 0.262 373 K C 0.020 176.649 176.600 0.049 0.000 0.957 373 K CA -0.707 55.603 56.287 0.039 0.000 0.842 373 K CB 1.349 33.859 32.500 0.017 0.000 1.099 373 K HN -0.001 nan 8.250 nan 0.000 0.438 374 T N 1.808 116.405 114.554 0.072 0.000 2.829 374 T HA 0.081 4.431 4.350 0.000 0.000 0.293 374 T C 1.065 175.824 174.700 0.098 0.000 0.970 374 T CA -0.277 61.879 62.100 0.092 0.000 1.168 374 T CB 0.254 69.172 68.868 0.084 0.000 0.911 374 T HN 0.598 nan 8.240 nan 0.000 0.535 375 V N 0.457 120.454 119.914 0.138 0.000 3.645 375 V HA 0.489 4.609 4.120 0.000 0.000 0.275 375 V C 0.609 176.764 176.094 0.102 0.000 1.356 375 V CA -0.181 62.208 62.300 0.149 0.000 1.051 375 V CB 0.500 32.471 31.823 0.247 0.000 0.828 375 V HN 0.680 nan 8.190 nan 0.000 0.441 376 S N -0.082 115.683 115.700 0.110 0.000 2.572 376 S HA 0.459 4.929 4.470 0.000 0.000 0.274 376 S C -0.050 174.629 174.600 0.131 0.000 1.150 376 S CA -0.395 57.855 58.200 0.085 0.000 0.944 376 S CB 2.154 65.368 63.200 0.023 0.000 1.071 376 S HN 0.410 nan 8.310 nan 0.000 0.479 377 E N 1.595 121.856 120.200 0.103 0.000 2.479 377 E HA 0.113 4.463 4.350 0.000 0.000 0.193 377 E C -0.127 176.541 176.600 0.114 0.000 1.049 377 E CA 0.031 56.491 56.400 0.100 0.000 0.870 377 E CB 0.319 30.061 29.700 0.069 0.000 0.944 377 E HN 0.467 nan 8.360 nan 0.000 0.492 378 Q N 1.172 121.057 119.800 0.142 0.000 2.235 378 Q HA 0.180 4.520 4.340 0.000 0.000 0.250 378 Q C -0.163 175.982 176.000 0.243 0.000 0.909 378 Q CA -0.026 55.869 55.803 0.153 0.000 0.910 378 Q CB 0.952 29.769 28.738 0.131 0.000 1.223 378 Q HN 0.173 nan 8.270 nan 0.000 0.432 379 E N 2.601 122.906 120.200 0.176 0.000 2.436 379 E HA 0.064 4.414 4.350 0.000 0.000 0.262 379 E C -0.356 176.425 176.600 0.303 0.000 1.063 379 E CA 0.377 56.877 56.400 0.167 0.000 0.944 379 E CB 0.549 30.324 29.700 0.126 0.000 0.950 379 E HN 0.506 nan 8.360 nan 0.000 0.444 380 W N 1.315 122.711 121.300 0.161 0.000 3.248 380 W HA 0.384 5.044 4.660 0.000 0.000 0.311 380 W C -1.704 174.926 176.519 0.186 0.000 1.258 380 W CA -1.028 56.409 57.345 0.154 0.000 1.191 380 W CB 0.325 29.893 29.460 0.180 0.000 1.389 380 W HN 0.576 nan 8.180 nan 0.000 0.561 381 N N 1.463 120.314 118.700 0.251 0.000 2.225 381 N HA 0.525 5.265 4.740 0.000 0.000 0.298 381 N C -1.737 174.037 175.510 0.440 0.000 1.076 381 N CA -0.672 52.452 53.050 0.124 0.000 0.792 381 N CB 2.084 40.544 38.487 -0.044 0.000 1.498 381 N HN 0.417 nan 8.380 nan 0.000 0.474 382 N N 0.911 119.928 118.700 0.529 0.000 2.932 382 N HA 0.211 4.951 4.740 0.000 0.000 0.242 382 N C -0.639 175.071 175.510 0.333 0.000 1.351 382 N CA -0.329 52.957 53.050 0.393 0.000 0.785 382 N CB 0.979 39.694 38.487 0.381 0.000 1.501 382 N HN 0.711 nan 8.380 nan 0.000 0.584 383 R N 0.287 120.910 120.500 0.206 0.000 2.285 383 R HA 0.082 4.423 4.340 0.000 0.000 0.213 383 R C 1.120 177.510 176.300 0.150 0.000 1.068 383 R CA 0.791 57.002 56.100 0.185 0.000 1.004 383 R CB 0.180 30.574 30.300 0.157 0.000 0.873 383 R HN 0.330 nan 8.270 nan 0.000 0.467 384 S N 0.633 116.406 115.700 0.121 0.000 2.507 384 S HA 0.009 4.479 4.470 0.000 0.000 0.235 384 S C 1.438 176.084 174.600 0.077 0.000 0.988 384 S CA 0.728 58.969 58.200 0.069 0.000 0.944 384 S CB 0.074 63.306 63.200 0.054 0.000 0.762 384 S HN 0.301 nan 8.310 nan 0.000 0.526 385 L N 0.562 121.882 121.223 0.161 0.000 2.585 385 L HA 0.215 4.555 4.340 0.000 0.000 0.226 385 L C 1.073 178.105 176.870 0.270 0.000 1.113 385 L CA -0.025 54.940 54.840 0.207 0.000 0.876 385 L CB -0.181 41.993 42.059 0.191 0.000 1.072 385 L HN 0.266 nan 8.230 nan 0.000 0.468 386 Q N 1.533 121.477 119.800 0.240 0.000 2.286 386 Q HA -0.023 4.317 4.340 0.000 0.000 0.290 386 Q C -0.637 175.473 176.000 0.183 0.000 1.049 386 Q CA 0.182 56.117 55.803 0.220 0.000 0.923 386 Q CB 0.784 29.651 28.738 0.215 0.000 1.183 386 Q HN 0.148 nan 8.270 nan 0.000 0.383 387 D N 1.825 122.324 120.400 0.165 0.000 2.423 387 D HA 0.179 4.819 4.640 0.000 0.000 0.255 387 D C -0.597 175.765 176.300 0.104 0.000 1.174 387 D CA -0.423 53.643 54.000 0.110 0.000 1.008 387 D CB 1.087 41.906 40.800 0.032 0.000 1.101 387 D HN 0.306 nan 8.370 nan 0.000 0.516 388 V N 2.014 121.983 119.914 0.091 0.000 2.446 388 V HA 0.068 4.188 4.120 0.000 0.000 0.276 388 V C 0.611 176.871 176.094 0.276 0.000 1.030 388 V CA 0.134 62.535 62.300 0.168 0.000 1.033 388 V CB -0.345 31.627 31.823 0.249 0.000 0.993 388 V HN 0.211 nan 8.190 nan 0.000 0.477 389 L N 6.744 128.104 121.223 0.228 0.000 2.365 389 L HA 0.533 4.873 4.340 0.000 0.000 0.267 389 L C -2.236 174.608 176.870 -0.042 0.000 1.033 389 L CA -2.228 52.768 54.840 0.259 0.000 0.802 389 L CB 1.238 43.430 42.059 0.223 0.000 1.267 389 L HN 0.351 nan 8.230 nan 0.000 0.457 390 P HA 0.007 nan 4.420 nan 0.000 0.266 390 P C 0.316 177.021 177.300 -0.992 0.000 1.195 390 P CA 0.185 62.699 63.100 -0.976 0.000 0.768 390 P CB 0.519 31.875 31.700 -0.574 0.000 0.838 391 T N 0.788 114.653 114.554 -1.148 0.000 2.803 391 T HA -0.091 4.260 4.350 0.000 0.000 0.269 391 T C 0.152 174.209 174.700 -1.072 0.000 1.052 391 T CA 1.218 62.559 62.100 -1.266 0.000 1.136 391 T CB -0.175 67.760 68.868 -1.554 0.000 0.864 391 T HN 0.418 nan 8.240 nan 0.000 0.467 392 W N 2.102 123.125 121.300 -0.462 0.000 2.471 392 W HA 0.492 5.153 4.660 0.001 0.000 0.318 392 W C -0.434 175.785 176.519 -0.499 0.000 1.034 392 W CA -1.102 56.070 57.345 -0.289 0.000 1.224 392 W CB 0.586 29.956 29.460 -0.149 0.000 1.335 392 W HN -0.188 nan 8.180 nan 0.000 0.452 393 R N 3.081 123.399 120.500 -0.303 0.000 2.402 393 R HA 0.323 4.663 4.340 0.000 0.000 0.290 393 R C -1.213 174.885 176.300 -0.336 0.000 1.321 393 R CA -0.325 55.142 56.100 -1.054 0.000 1.283 393 R CB 0.621 30.390 30.300 -0.886 0.000 1.111 393 R HN 0.405 nan 8.270 nan 0.000 0.578 394 W N 1.893 123.280 121.300 0.145 0.000 3.083 394 W HA 0.567 5.227 4.660 0.000 0.000 0.333 394 W C -0.197 176.322 176.519 -0.000 0.000 1.217 394 W CA -0.640 56.744 57.345 0.065 0.000 1.170 394 W CB 1.556 31.018 29.460 0.004 0.000 1.437 394 W HN 0.114 nan 8.180 nan 0.000 0.557 395 I N 2.600 123.272 120.570 0.171 0.000 2.439 395 I HA 0.302 4.472 4.170 0.000 0.000 0.283 395 I C -0.461 175.553 176.117 -0.171 0.000 1.023 395 I CA -0.726 60.524 61.300 -0.083 0.000 1.100 395 I CB 1.296 39.147 38.000 -0.249 0.000 1.238 395 I HN 0.377 nan 8.210 nan 0.000 0.445 396 Q N 4.906 124.559 119.800 -0.244 0.000 2.458 396 Q HA 0.592 4.932 4.340 0.000 0.000 0.282 396 Q C -1.252 174.453 176.000 -0.492 0.000 1.106 396 Q CA -1.045 54.619 55.803 -0.232 0.000 0.814 396 Q CB 3.053 31.799 28.738 0.013 0.000 1.425 396 Q HN 0.485 nan 8.270 nan 0.000 0.437 397 H N -0.174 118.899 119.070 0.005 0.000 2.840 397 H HA 0.514 5.070 4.556 0.000 0.000 0.340 397 H C 0.024 175.355 175.328 0.006 0.000 1.004 397 H CA 0.131 56.171 56.048 -0.012 0.000 1.288 397 H CB 1.761 31.496 29.762 -0.046 0.000 1.607 397 H HN 0.918 nan 8.280 nan 0.000 0.522 398 G N 1.244 110.106 108.800 0.103 0.000 2.730 398 G HA2 0.302 4.262 3.960 0.000 0.000 0.686 398 G HA3 0.302 4.262 3.960 0.000 0.000 0.686 398 G C 0.183 175.090 174.900 0.011 0.000 1.343 398 G CA -0.183 44.947 45.100 0.049 0.000 0.826 398 G HN 1.346 nan 8.290 nan 0.000 0.582 399 G N -0.178 108.601 108.800 -0.035 0.000 2.782 399 G HA2 0.338 4.299 3.960 0.000 0.000 0.228 399 G HA3 0.338 4.299 3.960 0.000 0.000 0.228 399 G C -0.188 174.658 174.900 -0.091 0.000 1.372 399 G CA 0.910 45.954 45.100 -0.093 0.000 0.862 399 G HN 2.228 nan 8.290 nan 0.000 0.547 400 D N -0.077 120.242 120.400 -0.134 0.000 2.749 400 D HA 0.505 5.145 4.640 0.000 0.000 0.338 400 D C 0.471 176.662 176.300 -0.181 0.000 1.236 400 D CA -0.254 53.670 54.000 -0.126 0.000 0.845 400 D CB -0.479 40.252 40.800 -0.114 0.000 1.080 400 D HN 0.575 nan 8.370 nan 0.000 0.497 401 L N -0.315 120.794 121.223 -0.189 0.000 2.313 401 L HA 0.669 5.009 4.340 0.000 0.000 0.268 401 L C 0.364 177.129 176.870 -0.175 0.000 1.010 401 L CA -1.047 53.625 54.840 -0.280 0.000 0.814 401 L CB 2.087 43.856 42.059 -0.484 0.000 1.304 401 L HN -0.161 nan 8.230 nan 0.000 0.441 402 E N -0.242 119.801 120.200 -0.260 0.000 2.288 402 E HA 0.774 5.124 4.350 0.000 0.000 0.268 402 E C -0.976 175.538 176.600 -0.144 0.000 0.885 402 E CA -0.865 55.418 56.400 -0.196 0.000 0.767 402 E CB 2.424 31.967 29.700 -0.261 0.000 1.220 402 E HN 0.714 nan 8.360 nan 0.000 0.427 403 A N 1.374 123.973 122.820 -0.369 0.000 2.343 403 A HA 0.849 5.169 4.320 0.000 0.000 0.316 403 A C -0.028 176.920 177.584 -1.060 0.000 1.104 403 A CA -0.435 51.142 52.037 -0.768 0.000 0.768 403 A CB 1.130 19.376 19.000 -1.257 0.000 1.213 403 A HN 0.766 nan 8.150 nan 0.000 0.456 404 T N -1.260 112.881 114.554 -0.687 0.000 2.792 404 T HA 0.691 5.041 4.350 0.000 0.000 0.303 404 T C -0.632 173.844 174.700 -0.374 0.000 1.310 404 T CA -0.653 61.244 62.100 -0.338 0.000 1.007 404 T CB 0.441 69.332 68.868 0.038 0.000 1.335 404 T HN 0.268 nan 8.240 nan 0.000 0.504 405 F N 1.475 121.402 119.950 -0.038 0.000 2.410 405 F HA 0.600 5.128 4.527 0.000 0.000 0.334 405 F C 1.296 176.777 175.800 -0.532 0.000 1.134 405 F CA -0.133 57.654 58.000 -0.355 0.000 1.227 405 F CB 1.301 39.935 39.000 -0.609 0.000 1.194 405 F HN 0.683 nan 8.300 nan 0.000 0.571 406 S N 2.472 117.998 115.700 -0.290 0.000 2.482 406 S HA 0.359 4.829 4.470 0.000 0.000 0.303 406 S C -0.292 174.103 174.600 -0.342 0.000 1.091 406 S CA -0.660 57.442 58.200 -0.163 0.000 1.057 406 S CB 0.613 63.895 63.200 0.137 0.000 1.031 406 S HN 0.675 nan 8.310 nan 0.000 0.485 407 W N 2.686 124.086 121.300 0.166 0.000 3.123 407 W HA 0.294 4.954 4.660 0.000 0.000 0.383 407 W C 0.799 177.315 176.519 -0.005 0.000 1.102 407 W CA -0.283 57.107 57.345 0.074 0.000 1.865 407 W CB 0.233 29.721 29.460 0.046 0.000 1.111 407 W HN 0.750 nan 8.180 nan 0.000 0.621 408 E N 0.387 120.666 120.200 0.131 0.000 2.364 408 E HA 0.027 4.378 4.350 0.000 0.000 0.196 408 E C 0.364 176.939 176.600 -0.042 0.000 0.990 408 E CA 0.776 57.193 56.400 0.029 0.000 0.886 408 E CB 0.708 30.402 29.700 -0.010 0.000 0.866 408 E HN 0.159 nan 8.360 nan 0.000 0.493 409 E N 0.341 120.504 120.200 -0.060 0.000 2.248 409 E HA 0.650 5.000 4.350 0.000 0.000 0.267 409 E C -1.013 175.722 176.600 0.225 0.000 0.877 409 E CA -0.661 55.725 56.400 -0.023 0.000 0.759 409 E CB 2.470 31.902 29.700 -0.447 0.000 1.182 409 E HN 0.011 nan 8.360 nan 0.000 0.418 410 A N 2.111 125.150 122.820 0.366 0.000 2.566 410 A HA 0.467 4.787 4.320 0.000 0.000 0.297 410 A C -0.961 176.674 177.584 0.085 0.000 1.059 410 A CA -0.617 51.569 52.037 0.248 0.000 0.691 410 A CB 0.725 19.793 19.000 0.112 0.000 1.282 410 A HN 0.544 nan 8.150 nan 0.000 0.401 411 F N 0.881 120.563 119.950 -0.446 0.000 2.343 411 F HA 0.361 4.888 4.527 0.000 0.000 0.286 411 F C 0.319 175.907 175.800 -0.353 0.000 1.057 411 F CA 1.155 58.671 58.000 -0.805 0.000 1.365 411 F CB 0.540 38.855 39.000 -1.143 0.000 1.114 411 F HN 0.481 nan 8.300 nan 0.000 0.545 412 E N 0.532 120.603 120.200 -0.215 0.000 2.255 412 E HA 0.489 4.839 4.350 0.000 0.000 0.256 412 E C 0.244 176.676 176.600 -0.281 0.000 0.887 412 E CA 0.292 56.529 56.400 -0.272 0.000 0.782 412 E CB 0.985 30.476 29.700 -0.348 0.000 1.214 412 E HN 0.453 nan 8.360 nan 0.000 0.417 413 G N 2.306 110.710 108.800 -0.660 0.000 2.464 413 G HA2 -0.189 3.772 3.960 0.000 0.000 0.216 413 G HA3 -0.189 3.772 3.960 0.000 0.000 0.216 413 G C 0.457 175.049 174.900 -0.513 0.000 1.186 413 G CA -0.170 44.286 45.100 -1.074 0.000 1.010 413 G HN 0.599 nan 8.290 nan 0.000 0.585 414 G N -0.283 108.587 108.800 0.117 0.000 3.228 414 G HA2 0.676 4.636 3.960 0.000 0.000 0.245 414 G HA3 0.676 4.636 3.960 0.000 0.000 0.245 414 G C 0.409 175.472 174.900 0.271 0.000 1.051 414 G CA 1.643 46.956 45.100 0.356 0.000 0.809 414 G HN 2.039 nan 8.290 nan 0.000 0.531 415 S N -0.670 115.138 115.700 0.180 0.000 2.625 415 S HA 0.818 5.289 4.470 0.000 0.000 0.271 415 S C -0.718 173.994 174.600 0.186 0.000 1.161 415 S CA -0.022 58.214 58.200 0.060 0.000 0.820 415 S CB 1.981 65.081 63.200 -0.167 0.000 1.137 415 S HN 0.865 nan 8.310 nan 0.000 0.470 416 S N 0.033 115.845 115.700 0.187 0.000 2.671 416 S HA 0.742 5.212 4.470 0.000 0.000 0.277 416 S C -1.504 173.193 174.600 0.161 0.000 1.165 416 S CA -0.934 57.449 58.200 0.306 0.000 0.822 416 S CB 1.074 64.534 63.200 0.432 0.000 1.150 416 S HN 1.316 nan 8.310 nan 0.000 0.479 417 L N 2.141 123.293 121.223 -0.117 0.000 2.265 417 L HA 0.484 4.824 4.340 0.000 0.000 0.288 417 L C -0.117 176.613 176.870 -0.233 0.000 1.058 417 L CA 0.015 54.606 54.840 -0.414 0.000 0.809 417 L CB 0.770 42.270 42.059 -0.932 0.000 1.179 417 L HN 0.849 nan 8.230 nan 0.000 0.429 418 Q N 3.926 123.595 119.800 -0.219 0.000 2.293 418 Q HA 0.426 4.766 4.340 0.000 0.000 0.261 418 Q C -1.527 174.422 176.000 -0.085 0.000 0.960 418 Q CA -0.680 55.011 55.803 -0.185 0.000 0.882 418 Q CB 1.503 30.164 28.738 -0.128 0.000 1.275 418 Q HN 0.679 nan 8.270 nan 0.000 0.445 419 W N 5.812 126.975 121.300 -0.230 0.000 2.543 419 W HA 0.346 5.006 4.660 0.000 0.000 0.318 419 W C -1.726 174.793 176.519 0.001 0.000 1.002 419 W CA -0.353 56.903 57.345 -0.149 0.000 1.302 419 W CB 0.900 30.265 29.460 -0.159 0.000 1.299 419 W HN 0.881 nan 8.180 nan 0.000 0.424 420 H N 3.452 122.419 119.070 -0.172 0.000 3.046 420 H HA 0.823 5.379 4.556 0.000 0.000 0.361 420 H C -0.256 174.940 175.328 -0.221 0.000 1.235 420 H CA -0.307 55.596 56.048 -0.242 0.000 1.146 420 H CB 1.632 31.269 29.762 -0.208 0.000 1.859 420 H HN 0.734 nan 8.280 nan 0.000 0.548 421 G N 0.539 109.166 108.800 -0.288 0.000 2.441 421 G HA2 0.172 4.132 3.960 0.000 0.000 0.222 421 G HA3 0.172 4.132 3.960 0.000 0.000 0.222 421 G C -1.611 173.151 174.900 -0.230 0.000 1.254 421 G CA -0.251 44.672 45.100 -0.294 0.000 0.959 421 G HN 0.663 nan 8.290 nan 0.000 0.474 422 S N -0.353 115.215 115.700 -0.219 0.000 2.525 422 S HA 0.748 5.218 4.470 0.000 0.000 0.290 422 S C -0.978 173.494 174.600 -0.214 0.000 1.152 422 S CA -0.285 57.794 58.200 -0.202 0.000 1.072 422 S CB 1.521 64.628 63.200 -0.155 0.000 1.027 422 S HN 1.157 nan 8.310 nan 0.000 0.500 423 L N 3.019 124.113 121.223 -0.214 0.000 2.541 423 L HA 0.652 4.992 4.340 0.000 0.000 0.266 423 L C -0.221 176.545 176.870 -0.174 0.000 0.966 423 L CA -0.208 54.512 54.840 -0.200 0.000 0.871 423 L CB 0.932 42.849 42.059 -0.237 0.000 1.232 423 L HN 0.738 nan 8.230 nan 0.000 0.408 424 A N 3.399 126.132 122.820 -0.145 0.000 2.425 424 A HA 0.315 4.635 4.320 0.000 0.000 0.242 424 A C 0.241 177.747 177.584 -0.130 0.000 1.077 424 A CA -0.185 51.777 52.037 -0.125 0.000 0.781 424 A CB 0.103 19.044 19.000 -0.099 0.000 1.020 424 A HN 0.784 nan 8.150 nan 0.000 0.494 425 E N 0.239 120.372 120.200 -0.111 0.000 2.558 425 E HA 0.259 4.609 4.350 0.000 0.000 0.255 425 E C 1.333 177.864 176.600 -0.115 0.000 0.968 425 E CA 1.199 57.536 56.400 -0.105 0.000 0.939 425 E CB -0.098 29.555 29.700 -0.077 0.000 0.921 425 E HN 1.442 nan 8.360 nan 0.000 0.477 426 G N 3.425 112.136 108.800 -0.149 0.000 2.234 426 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 426 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 426 G C 0.165 174.892 174.900 -0.287 0.000 0.987 426 G CA 0.458 45.450 45.100 -0.179 0.000 0.625 426 G HN 0.560 nan 8.290 nan 0.000 0.532 427 E N 1.158 121.203 120.200 -0.259 0.000 2.343 427 E HA 0.598 4.948 4.350 0.000 0.000 0.269 427 E C 0.255 176.632 176.600 -0.371 0.000 1.047 427 E CA -0.389 55.876 56.400 -0.225 0.000 0.874 427 E CB 0.340 29.962 29.700 -0.131 0.000 1.033 427 E HN 0.473 nan 8.360 nan 0.000 0.409 428 H N 0.468 119.502 119.070 -0.061 0.000 2.472 428 H HA 0.712 5.269 4.556 0.000 0.000 0.338 428 H C -0.839 174.445 175.328 -0.072 0.000 1.133 428 H CA -0.815 55.189 56.048 -0.073 0.000 1.216 428 H CB 1.822 31.535 29.762 -0.082 0.000 1.497 428 H HN 0.483 nan 8.280 nan 0.000 0.500 429 A N 2.565 125.406 122.820 0.036 0.000 2.435 429 A HA 0.552 4.872 4.320 0.000 0.000 0.304 429 A C -0.931 176.754 177.584 0.169 0.000 1.064 429 A CA -0.769 51.309 52.037 0.069 0.000 0.727 429 A CB 1.924 20.900 19.000 -0.040 0.000 1.284 429 A HN 0.646 nan 8.150 nan 0.000 0.415 430 Q N 0.080 119.975 119.800 0.159 0.000 2.394 430 Q HA 0.712 5.052 4.340 0.000 0.000 0.273 430 Q C -1.153 174.848 176.000 0.002 0.000 1.089 430 Q CA -0.204 55.596 55.803 -0.005 0.000 0.812 430 Q CB 2.933 31.513 28.738 -0.264 0.000 1.353 430 Q HN 0.722 nan 8.270 nan 0.000 0.438 431 I N 0.764 121.150 120.570 -0.307 0.000 2.447 431 I HA 0.349 4.520 4.170 0.000 0.000 0.287 431 I C -1.079 174.854 176.117 -0.306 0.000 1.023 431 I CA -0.506 60.537 61.300 -0.429 0.000 1.083 431 I CB 1.214 38.602 38.000 -1.019 0.000 1.245 431 I HN 0.601 nan 8.210 nan 0.000 0.434 432 E N 7.223 127.289 120.200 -0.225 0.000 2.167 432 E HA 0.276 4.626 4.350 0.000 0.000 0.284 432 E C 0.039 176.766 176.600 0.213 0.000 1.016 432 E CA -0.258 56.044 56.400 -0.163 0.000 0.817 432 E CB 2.017 31.518 29.700 -0.331 0.000 1.080 432 E HN 0.678 nan 8.360 nan 0.000 0.397 433 L N 2.214 123.574 121.223 0.229 0.000 2.515 433 L HA 0.211 4.551 4.340 0.000 0.000 0.202 433 L C -0.129 176.528 176.870 -0.355 0.000 1.056 433 L CA 0.288 55.150 54.840 0.036 0.000 0.847 433 L CB 0.414 42.493 42.059 0.033 0.000 1.131 433 L HN 0.505 nan 8.230 nan 0.000 0.484 434 Y N -0.251 119.987 120.300 -0.104 0.000 2.425 434 Y HA 0.452 5.003 4.550 0.000 0.000 0.344 434 Y C -0.122 175.454 175.900 -0.541 0.000 0.969 434 Y CA -0.971 56.841 58.100 -0.480 0.000 1.052 434 Y CB 1.684 39.970 38.460 -0.290 0.000 1.215 434 Y HN -0.074 nan 8.280 nan 0.000 0.451 435 Q N 2.143 121.514 119.800 -0.716 0.000 2.288 435 Q HA 0.560 4.900 4.340 0.000 0.000 0.254 435 Q C -0.421 175.454 176.000 -0.207 0.000 0.932 435 Q CA -0.149 55.495 55.803 -0.266 0.000 0.902 435 Q CB 0.962 29.559 28.738 -0.234 0.000 1.203 435 Q HN 0.801 nan 8.270 nan 0.000 0.415 436 T N 0.021 114.488 114.554 -0.145 0.000 2.812 436 T HA 0.604 4.954 4.350 0.000 0.000 0.294 436 T C -1.018 173.590 174.700 -0.153 0.000 1.159 436 T CA -0.990 60.974 62.100 -0.227 0.000 1.008 436 T CB 1.482 70.174 68.868 -0.293 0.000 1.289 436 T HN 0.595 nan 8.240 nan 0.000 0.514 437 E N 0.813 120.916 120.200 -0.162 0.000 2.874 437 E HA 0.421 4.771 4.350 0.000 0.000 0.320 437 E C -1.680 174.860 176.600 -0.101 0.000 1.141 437 E CA -0.422 55.915 56.400 -0.105 0.000 0.774 437 E CB 0.437 30.092 29.700 -0.075 0.000 1.542 437 E HN 0.609 nan 8.360 nan 0.000 0.380 438 L N 4.825 125.989 121.223 -0.098 0.000 2.319 438 L HA 0.539 4.879 4.340 0.000 0.000 0.281 438 L C -2.269 174.570 176.870 -0.051 0.000 1.005 438 L CA -2.108 52.685 54.840 -0.078 0.000 0.828 438 L CB 1.592 43.594 42.059 -0.094 0.000 1.227 438 L HN 0.284 nan 8.230 nan 0.000 0.415 439 P HA 0.231 nan 4.420 nan 0.000 0.276 439 P C -0.571 176.722 177.300 -0.012 0.000 1.235 439 P CA -0.000 63.090 63.100 -0.017 0.000 0.772 439 P CB 1.124 32.818 31.700 -0.009 0.000 0.871 440 I N 1.942 122.510 120.570 -0.003 0.000 2.385 440 I HA 0.271 4.442 4.170 0.000 0.000 0.294 440 I C 0.792 176.920 176.117 0.018 0.000 0.988 440 I CA 0.021 61.324 61.300 0.005 0.000 1.265 440 I CB 1.150 39.163 38.000 0.023 0.000 1.388 440 I HN 0.294 nan 8.210 nan 0.000 0.480 441 S N 3.394 119.103 115.700 0.014 0.000 2.745 441 S HA 0.358 4.828 4.470 0.000 0.000 0.306 441 S C -0.777 173.831 174.600 0.012 0.000 1.137 441 S CA -0.965 57.243 58.200 0.013 0.000 0.900 441 S CB 1.435 64.641 63.200 0.010 0.000 1.176 441 S HN 0.506 nan 8.310 nan 0.000 0.520 442 E N 0.364 120.569 120.200 0.008 0.000 2.452 442 E HA 0.318 4.669 4.350 0.000 0.000 0.261 442 E C 0.978 177.583 176.600 0.009 0.000 0.987 442 E CA 0.936 57.339 56.400 0.005 0.000 0.926 442 E CB 0.120 29.822 29.700 0.002 0.000 0.934 442 E HN 0.976 nan 8.360 nan 0.000 0.452 443 G N 3.043 111.849 108.800 0.010 0.000 2.199 443 G HA2 -0.277 3.683 3.960 0.000 0.000 0.254 443 G HA3 -0.277 3.683 3.960 0.000 0.000 0.254 443 G C 0.419 175.329 174.900 0.017 0.000 0.982 443 G CA 0.273 45.382 45.100 0.014 0.000 0.632 443 G HN 0.525 nan 8.290 nan 0.000 0.529 444 T N 1.714 116.277 114.554 0.015 0.000 2.851 444 T HA 0.573 4.923 4.350 0.000 0.000 0.298 444 T C 0.233 174.943 174.700 0.016 0.000 0.977 444 T CA 0.793 62.901 62.100 0.012 0.000 1.126 444 T CB 1.493 70.363 68.868 0.003 0.000 0.916 444 T HN 0.346 nan 8.240 nan 0.000 0.529 445 S N 2.139 117.853 115.700 0.025 0.000 2.599 445 S HA 0.578 5.048 4.470 0.000 0.000 0.287 445 S C -0.731 173.904 174.600 0.058 0.000 1.105 445 S CA -0.791 57.436 58.200 0.045 0.000 0.899 445 S CB 1.377 64.617 63.200 0.067 0.000 1.100 445 S HN 0.526 nan 8.310 nan 0.000 0.482 446 L N 2.595 123.879 121.223 0.101 0.000 2.289 446 L HA 0.599 4.940 4.340 0.000 0.000 0.285 446 L C -0.033 177.057 176.870 0.367 0.000 1.049 446 L CA -0.115 54.842 54.840 0.195 0.000 0.804 446 L CB 1.397 43.558 42.059 0.169 0.000 1.195 446 L HN 0.847 nan 8.230 nan 0.000 0.428 447 T N -0.376 114.402 114.554 0.372 0.000 2.893 447 T HA 0.702 5.052 4.350 0.000 0.000 0.293 447 T C -1.162 173.864 174.700 0.543 0.000 1.027 447 T CA -0.729 61.575 62.100 0.340 0.000 0.988 447 T CB 1.457 70.405 68.868 0.133 0.000 1.043 447 T HN 0.648 nan 8.240 nan 0.000 0.461 448 W N 0.066 121.519 121.300 0.255 0.000 3.213 448 W HA 0.723 5.383 4.660 0.001 0.000 0.318 448 W C -1.818 174.881 176.519 0.299 0.000 1.248 448 W CA -1.101 56.432 57.345 0.312 0.000 1.187 448 W CB 0.977 30.757 29.460 0.533 0.000 1.403 448 W HN 0.705 nan 8.180 nan 0.000 0.556 449 T N 3.448 118.209 114.554 0.345 0.000 2.921 449 T HA 0.694 5.045 4.350 0.000 0.000 0.297 449 T C -1.256 173.705 174.700 0.435 0.000 1.013 449 T CA -0.541 61.616 62.100 0.095 0.000 0.990 449 T CB 0.985 69.556 68.868 -0.494 0.000 1.023 449 T HN 0.678 nan 8.240 nan 0.000 0.447 450 F N -0.175 119.955 119.950 0.300 0.000 2.711 450 F HA 0.824 5.351 4.527 0.000 0.000 0.313 450 F C -1.474 174.399 175.800 0.121 0.000 1.141 450 F CA -1.420 56.802 58.000 0.370 0.000 0.941 450 F CB 1.489 40.642 39.000 0.255 0.000 1.349 450 F HN 0.227 nan 8.300 nan 0.000 0.464 451 K N 0.761 121.086 120.400 -0.125 0.000 2.259 451 K HA 0.658 4.978 4.320 0.000 0.000 0.249 451 K C -1.383 175.309 176.600 0.152 0.000 0.942 451 K CA -1.206 54.890 56.287 -0.319 0.000 0.816 451 K CB 2.086 34.211 32.500 -0.624 0.000 1.155 451 K HN 0.691 nan 8.250 nan 0.000 0.428 452 S N 1.596 117.322 115.700 0.042 0.000 2.789 452 S HA 0.137 4.608 4.470 0.000 0.000 0.286 452 S C 0.183 174.660 174.600 -0.205 0.000 1.153 452 S CA -0.592 57.582 58.200 -0.042 0.000 1.084 452 S CB 0.757 64.090 63.200 0.222 0.000 1.036 452 S HN 0.559 nan 8.310 nan 0.000 0.484 453 E N 2.560 122.563 120.200 -0.328 0.000 2.204 453 E HA -0.040 4.310 4.350 0.000 0.000 0.194 453 E C 0.626 176.908 176.600 -0.531 0.000 0.989 453 E CA 1.103 57.255 56.400 -0.414 0.000 0.824 453 E CB -0.068 29.343 29.700 -0.481 0.000 0.756 453 E HN 0.740 nan 8.360 nan 0.000 0.477 454 H N -1.288 117.659 119.070 -0.206 0.000 2.594 454 H HA 0.278 4.835 4.556 0.000 0.000 0.279 454 H C 1.213 176.471 175.328 -0.117 0.000 1.042 454 H CA 0.627 56.580 56.048 -0.159 0.000 1.177 454 H CB 1.094 30.745 29.762 -0.185 0.000 1.524 454 H HN 0.278 nan 8.280 nan 0.000 0.537 455 G N 1.321 110.101 108.800 -0.034 0.000 2.217 455 G HA2 -0.269 3.691 3.960 0.000 0.000 0.246 455 G HA3 -0.269 3.691 3.960 0.000 0.000 0.246 455 G C 0.283 175.241 174.900 0.098 0.000 0.990 455 G CA -0.201 44.916 45.100 0.029 0.000 0.627 455 G HN 0.416 nan 8.290 nan 0.000 0.522 456 N N 1.751 120.490 118.700 0.065 0.000 2.356 456 N HA 0.206 4.946 4.740 0.000 0.000 0.252 456 N C -0.279 175.460 175.510 0.382 0.000 1.241 456 N CA 0.475 53.623 53.050 0.163 0.000 0.861 456 N CB 0.694 39.257 38.487 0.127 0.000 1.075 456 N HN 0.368 nan 8.380 nan 0.000 0.461 457 D N 0.877 121.508 120.400 0.384 0.000 2.360 457 D HA 0.215 4.855 4.640 0.000 0.000 0.242 457 D C -0.786 175.724 176.300 0.351 0.000 1.184 457 D CA -0.219 54.079 54.000 0.497 0.000 0.930 457 D CB 0.742 41.793 40.800 0.419 0.000 1.161 457 D HN 0.203 nan 8.370 nan 0.000 0.447 458 L N 3.162 124.425 121.223 0.068 0.000 2.319 458 L HA 0.406 4.746 4.340 0.000 0.000 0.281 458 L C -0.927 175.993 176.870 0.084 0.000 1.005 458 L CA -0.588 54.060 54.840 -0.321 0.000 0.828 458 L CB 0.955 42.286 42.059 -1.212 0.000 1.227 458 L HN 0.244 nan 8.230 nan 0.000 0.415 459 N N 3.064 121.797 118.700 0.054 0.000 2.495 459 N HA 0.417 5.157 4.740 0.000 0.000 0.280 459 N C -0.868 174.566 175.510 -0.127 0.000 1.168 459 N CA -0.426 52.667 53.050 0.072 0.000 0.978 459 N CB 2.352 40.888 38.487 0.082 0.000 1.191 459 N HN 0.420 nan 8.380 nan 0.000 0.497 460 V N -0.388 119.242 119.914 -0.474 0.000 2.716 460 V HA 0.799 4.919 4.120 0.000 0.000 0.304 460 V C 0.205 176.151 176.094 -0.247 0.000 1.053 460 V CA -0.385 61.486 62.300 -0.716 0.000 0.984 460 V CB 1.457 32.425 31.823 -1.425 0.000 1.021 460 V HN 0.713 nan 8.190 nan 0.000 0.467 461 G N 4.588 113.204 108.800 -0.306 0.000 2.513 461 G HA2 0.735 4.696 3.960 0.000 0.000 0.317 461 G HA3 0.735 4.696 3.960 0.000 0.000 0.317 461 G C -1.347 173.464 174.900 -0.147 0.000 1.277 461 G CA -0.559 44.261 45.100 -0.466 0.000 0.955 461 G HN 0.950 nan 8.290 nan 0.000 0.484 462 F N 0.120 119.902 119.950 -0.280 0.000 2.588 462 F HA 0.805 5.333 4.527 0.000 0.000 0.310 462 F C -0.531 175.036 175.800 -0.388 0.000 1.082 462 F CA -1.600 56.264 58.000 -0.227 0.000 0.929 462 F CB 2.020 40.860 39.000 -0.266 0.000 1.254 462 F HN 0.532 nan 8.300 nan 0.000 0.455 463 R N 3.852 124.068 120.500 -0.472 0.000 2.445 463 R HA 0.706 5.046 4.340 0.000 0.000 0.308 463 R C -1.702 174.386 176.300 -0.353 0.000 0.961 463 R CA -0.671 54.990 56.100 -0.732 0.000 0.862 463 R CB 1.409 30.937 30.300 -1.286 0.000 1.144 463 R HN 0.962 nan 8.270 nan 0.000 0.447 464 L N 2.695 123.734 121.223 -0.307 0.000 2.322 464 L HA 0.283 4.623 4.340 0.000 0.000 0.279 464 L C -0.018 176.759 176.870 -0.156 0.000 1.036 464 L CA -0.937 53.798 54.840 -0.174 0.000 0.807 464 L CB 1.499 43.470 42.059 -0.146 0.000 1.226 464 L HN 0.674 nan 8.230 nan 0.000 0.433 465 D N 1.375 121.713 120.400 -0.104 0.000 2.493 465 D HA 0.282 4.922 4.640 0.000 0.000 0.240 465 D C 1.015 177.273 176.300 -0.070 0.000 1.142 465 D CA 1.821 55.772 54.000 -0.081 0.000 0.872 465 D CB 0.801 41.569 40.800 -0.053 0.000 1.173 465 D HN 0.730 nan 8.370 nan 0.000 0.467 466 G N 3.083 111.841 108.800 -0.070 0.000 2.213 466 G HA2 -0.231 3.729 3.960 0.000 0.000 0.236 466 G HA3 -0.231 3.729 3.960 0.000 0.000 0.236 466 G C 0.072 174.927 174.900 -0.076 0.000 0.991 466 G CA 0.107 45.172 45.100 -0.058 0.000 0.629 466 G HN 0.565 nan 8.290 nan 0.000 0.517 467 E N 0.042 120.175 120.200 -0.112 0.000 2.187 467 E HA 0.484 4.834 4.350 0.000 0.000 0.268 467 E C 0.215 176.714 176.600 -0.167 0.000 0.896 467 E CA -0.863 55.455 56.400 -0.136 0.000 0.766 467 E CB 1.565 31.163 29.700 -0.171 0.000 1.142 467 E HN 0.077 nan 8.360 nan 0.000 0.408 468 E N 1.011 121.131 120.200 -0.135 0.000 2.318 468 E HA 0.004 4.354 4.350 0.000 0.000 0.193 468 E C -0.384 176.133 176.600 -0.138 0.000 0.998 468 E CA 0.700 57.023 56.400 -0.128 0.000 0.859 468 E CB 0.307 29.958 29.700 -0.080 0.000 0.812 468 E HN 0.459 nan 8.360 nan 0.000 0.492 469 D N 0.425 120.741 120.400 -0.141 0.000 2.198 469 D HA 0.147 4.787 4.640 0.000 0.000 0.245 469 D C -0.088 176.091 176.300 -0.202 0.000 1.079 469 D CA -0.364 53.581 54.000 -0.091 0.000 0.854 469 D CB 0.787 41.544 40.800 -0.071 0.000 1.148 469 D HN -0.161 nan 8.370 nan 0.000 0.456 470 F N 1.221 121.008 119.950 -0.272 0.000 2.518 470 F HA 0.096 4.624 4.527 0.000 0.000 0.359 470 F C 1.602 176.997 175.800 -0.675 0.000 1.118 470 F CA 0.070 57.750 58.000 -0.533 0.000 1.287 470 F CB 0.544 39.126 39.000 -0.697 0.000 1.132 470 F HN -0.073 nan 8.300 nan 0.000 0.587 471 R N 3.096 123.141 120.500 -0.758 0.000 2.221 471 R HA 0.272 4.612 4.340 0.000 0.000 0.327 471 R C -1.568 174.240 176.300 -0.819 0.000 1.033 471 R CA -0.537 55.104 56.100 -0.765 0.000 0.887 471 R CB 0.487 30.128 30.300 -1.099 0.000 1.057 471 R HN 0.488 nan 8.270 nan 0.000 0.455 472 Y N 1.868 122.032 120.300 -0.228 0.000 2.335 472 Y HA 0.381 4.931 4.550 0.000 0.000 0.339 472 Y C 0.128 175.974 175.900 -0.090 0.000 0.987 472 Y CA -0.616 57.394 58.100 -0.151 0.000 1.140 472 Y CB 1.574 39.968 38.460 -0.111 0.000 1.173 472 Y HN 0.196 nan 8.280 nan 0.000 0.486 473 V N 2.960 122.923 119.914 0.082 0.000 2.925 473 V HA 0.306 4.426 4.120 0.000 0.000 0.311 473 V C -0.451 175.707 176.094 0.107 0.000 1.104 473 V CA -1.499 60.867 62.300 0.110 0.000 0.954 473 V CB 2.188 34.136 31.823 0.208 0.000 1.022 473 V HN 0.657 nan 8.190 nan 0.000 0.427 474 E N 1.650 121.891 120.200 0.067 0.000 2.366 474 E HA 0.406 4.757 4.350 0.000 0.000 0.266 474 E C 0.501 177.063 176.600 -0.064 0.000 1.051 474 E CA -0.102 56.275 56.400 -0.037 0.000 0.884 474 E CB 1.233 30.867 29.700 -0.110 0.000 1.006 474 E HN 0.909 nan 8.360 nan 0.000 0.417 475 G N 1.716 110.285 108.800 -0.385 0.000 2.554 475 G HA2 -0.098 3.862 3.960 0.000 0.000 0.238 475 G HA3 -0.098 3.862 3.960 0.000 0.000 0.238 475 G C 0.237 174.809 174.900 -0.546 0.000 1.259 475 G CA -0.104 44.636 45.100 -0.600 0.000 0.843 475 G HN 0.619 nan 8.290 nan 0.000 0.582 476 E N -0.098 120.098 120.200 -0.006 0.000 2.228 476 E HA 0.021 4.371 4.350 0.000 0.000 0.197 476 E C 0.287 177.087 176.600 0.333 0.000 0.909 476 E CA 0.191 56.664 56.400 0.122 0.000 0.911 476 E CB 0.298 30.065 29.700 0.111 0.000 0.887 476 E HN 0.370 nan 8.360 nan 0.000 0.481 477 Q N 1.354 121.370 119.800 0.360 0.000 2.307 477 Q HA 0.353 4.693 4.340 0.000 0.000 0.262 477 Q C -0.723 175.414 176.000 0.229 0.000 0.961 477 Q CA -0.198 55.763 55.803 0.264 0.000 0.882 477 Q CB 2.492 31.310 28.738 0.134 0.000 1.264 477 Q HN 0.051 nan 8.270 nan 0.000 0.446 478 R N 1.558 122.065 120.500 0.012 0.000 2.532 478 R HA 0.443 4.784 4.340 0.000 0.000 0.295 478 R C -0.875 175.266 176.300 -0.265 0.000 0.968 478 R CA -0.223 55.629 56.100 -0.414 0.000 0.916 478 R CB 1.291 31.158 30.300 -0.721 0.000 1.124 478 R HN 0.675 nan 8.270 nan 0.000 0.463 479 E N 2.068 122.083 120.200 -0.308 0.000 2.292 479 E HA 0.280 4.630 4.350 0.000 0.000 0.272 479 E C -1.515 174.953 176.600 -0.220 0.000 0.881 479 E CA -0.681 55.602 56.400 -0.193 0.000 0.754 479 E CB 2.069 31.703 29.700 -0.110 0.000 1.201 479 E HN 0.564 nan 8.360 nan 0.000 0.425 480 S N 4.011 119.619 115.700 -0.153 0.000 2.442 480 S HA 0.504 4.975 4.470 0.000 0.000 0.297 480 S C -0.311 174.272 174.600 -0.027 0.000 1.131 480 S CA -0.491 57.636 58.200 -0.122 0.000 1.092 480 S CB 0.385 63.517 63.200 -0.114 0.000 0.998 480 S HN 0.387 nan 8.310 nan 0.000 0.478 481 I N 2.967 123.566 120.570 0.049 0.000 2.476 481 I HA 0.295 4.465 4.170 0.000 0.000 0.281 481 I C -0.261 176.014 176.117 0.264 0.000 1.040 481 I CA -0.664 60.729 61.300 0.156 0.000 1.094 481 I CB 1.081 39.234 38.000 0.256 0.000 1.219 481 I HN 0.701 nan 8.210 nan 0.000 0.450 482 N N 4.622 123.424 118.700 0.171 0.000 2.707 482 N HA -0.242 4.499 4.740 0.000 0.000 0.253 482 N C 1.018 176.683 175.510 0.259 0.000 0.998 482 N CA 0.781 53.947 53.050 0.193 0.000 0.751 482 N CB -0.560 38.048 38.487 0.203 0.000 0.920 482 N HN 1.163 nan 8.380 nan 0.000 0.539 483 G N -2.672 106.201 108.800 0.122 0.000 2.217 483 G HA2 -0.314 3.647 3.960 0.000 0.000 0.246 483 G HA3 -0.314 3.647 3.960 0.000 0.000 0.246 483 G C -0.111 174.704 174.900 -0.142 0.000 0.990 483 G CA 0.144 45.230 45.100 -0.023 0.000 0.627 483 G HN 0.377 nan 8.290 nan 0.000 0.522 484 W N 1.036 122.277 121.300 -0.098 0.000 2.449 484 W HA 0.675 5.335 4.660 0.000 0.000 0.331 484 W C 0.391 176.677 176.519 -0.388 0.000 1.119 484 W CA -0.231 56.974 57.345 -0.234 0.000 1.240 484 W CB 1.225 30.566 29.460 -0.200 0.000 1.251 484 W HN 0.006 nan 8.180 nan 0.000 0.576 485 T N 2.830 117.118 114.554 -0.443 0.000 2.749 485 T HA 0.247 4.597 4.350 0.000 0.000 0.287 485 T C -0.734 173.635 174.700 -0.552 0.000 0.970 485 T CA -0.588 61.128 62.100 -0.640 0.000 0.980 485 T CB 0.893 69.150 68.868 -1.019 0.000 0.924 485 T HN 0.322 nan 8.240 nan 0.000 0.456 486 Q N 2.918 122.437 119.800 -0.468 0.000 2.333 486 Q HA 0.376 4.716 4.340 0.000 0.000 0.265 486 Q C -1.464 174.254 176.000 -0.470 0.000 0.989 486 Q CA -0.721 54.859 55.803 -0.373 0.000 0.842 486 Q CB 1.058 29.650 28.738 -0.244 0.000 1.262 486 Q HN 0.669 nan 8.270 nan 0.000 0.451 487 W N 2.129 123.121 121.300 -0.514 0.000 2.496 487 W HA 0.449 5.109 4.660 0.000 0.000 0.327 487 W C -0.272 175.890 176.519 -0.595 0.000 1.086 487 W CA -0.634 56.306 57.345 -0.676 0.000 1.222 487 W CB 2.156 30.816 29.460 -1.333 0.000 1.304 487 W HN 0.394 nan 8.180 nan 0.000 0.547 488 T N 3.802 118.375 114.554 0.032 0.000 2.841 488 T HA 0.498 4.849 4.350 0.000 0.000 0.283 488 T C -1.570 173.221 174.700 0.152 0.000 1.000 488 T CA -0.636 61.508 62.100 0.074 0.000 0.977 488 T CB 1.248 70.162 68.868 0.078 0.000 0.979 488 T HN 0.219 nan 8.240 nan 0.000 0.446 489 L N 5.594 126.953 121.223 0.228 0.000 2.377 489 L HA 0.545 4.885 4.340 0.000 0.000 0.270 489 L C -2.821 174.139 176.870 0.151 0.000 0.991 489 L CA -2.100 52.879 54.840 0.233 0.000 0.851 489 L CB 1.333 43.619 42.059 0.378 0.000 1.218 489 L HN 0.291 nan 8.230 nan 0.000 0.420 490 P HA 0.196 nan 4.420 nan 0.000 0.271 490 P C 0.004 177.347 177.300 0.071 0.000 1.216 490 P CA 0.127 63.271 63.100 0.073 0.000 0.776 490 P CB 0.674 32.407 31.700 0.056 0.000 0.881 491 L N 1.606 122.859 121.223 0.050 0.000 2.910 491 L HA 0.141 4.482 4.340 0.000 0.000 0.252 491 L C 0.765 177.686 176.870 0.084 0.000 1.195 491 L CA 0.170 55.067 54.840 0.096 0.000 1.003 491 L CB -0.263 41.788 42.059 -0.013 0.000 1.328 491 L HN 0.230 nan 8.230 nan 0.000 0.540 492 D N 1.616 122.023 120.400 0.013 0.000 2.190 492 D HA -0.234 4.406 4.640 0.000 0.000 0.200 492 D C 2.283 178.528 176.300 -0.092 0.000 0.992 492 D CA 1.439 55.425 54.000 -0.023 0.000 0.854 492 D CB 0.093 40.878 40.800 -0.025 0.000 0.936 492 D HN 0.368 nan 8.370 nan 0.000 0.462 493 A N -0.168 122.519 122.820 -0.222 0.000 2.076 493 A HA -0.119 4.202 4.320 0.000 0.000 0.220 493 A C 1.103 178.354 177.584 -0.555 0.000 1.160 493 A CA 0.912 52.677 52.037 -0.452 0.000 0.653 493 A CB -0.560 18.029 19.000 -0.686 0.000 0.801 493 A HN 0.252 nan 8.150 nan 0.000 0.455 494 F N -0.344 119.604 119.950 -0.004 0.000 2.647 494 F HA 0.507 5.034 4.527 0.000 0.000 0.300 494 F C 1.212 177.003 175.800 -0.015 0.000 1.106 494 F CA -0.646 57.354 58.000 0.000 0.000 1.313 494 F CB -0.390 38.614 39.000 0.007 0.000 1.007 494 F HN 0.165 nan 8.300 nan 0.000 0.536 495 A N 0.374 123.238 122.820 0.074 0.000 2.565 495 A HA 0.394 4.714 4.320 0.000 0.000 0.237 495 A C 1.616 179.229 177.584 0.049 0.000 1.053 495 A CA 1.029 53.094 52.037 0.047 0.000 0.755 495 A CB -0.597 18.411 19.000 0.012 0.000 0.980 495 A HN 1.055 nan 8.150 nan 0.000 0.506 496 G N 0.732 109.557 108.800 0.040 0.000 2.241 496 G HA2 -0.207 3.753 3.960 0.000 0.000 0.244 496 G HA3 -0.207 3.753 3.960 0.000 0.000 0.244 496 G C 0.375 175.299 174.900 0.039 0.000 0.998 496 G CA 0.464 45.584 45.100 0.033 0.000 0.621 496 G HN 0.875 nan 8.290 nan 0.000 0.519 497 Q N 0.431 120.270 119.800 0.065 0.000 2.237 497 Q HA 0.624 4.965 4.340 0.000 0.000 0.219 497 Q C -0.342 175.670 176.000 0.019 0.000 0.999 497 Q CA 0.333 56.169 55.803 0.056 0.000 0.959 497 Q CB 0.975 29.777 28.738 0.108 0.000 1.173 497 Q HN 0.255 nan 8.270 nan 0.000 0.527 498 T N 0.883 115.433 114.554 -0.007 0.000 2.841 498 T HA 0.507 4.857 4.350 0.000 0.000 0.285 498 T C 0.160 174.828 174.700 -0.055 0.000 0.991 498 T CA -0.505 61.576 62.100 -0.031 0.000 0.966 498 T CB 0.667 69.515 68.868 -0.033 0.000 0.962 498 T HN 0.302 nan 8.240 nan 0.000 0.438 499 I N 3.269 123.798 120.570 -0.068 0.000 2.471 499 I HA 0.178 4.348 4.170 0.000 0.000 0.286 499 I C 1.630 177.688 176.117 -0.098 0.000 1.079 499 I CA -0.037 61.216 61.300 -0.080 0.000 1.398 499 I CB 1.263 39.213 38.000 -0.084 0.000 1.403 499 I HN 0.815 nan 8.210 nan 0.000 0.530 500 T N 0.796 115.278 114.554 -0.120 0.000 3.040 500 T HA 0.372 4.722 4.350 0.000 0.000 0.266 500 T C 0.426 175.078 174.700 -0.081 0.000 1.005 500 T CA -0.185 61.851 62.100 -0.107 0.000 0.906 500 T CB 0.454 69.257 68.868 -0.109 0.000 1.082 500 T HN 0.713 nan 8.240 nan 0.000 0.531 501 G N 0.690 109.426 108.800 -0.105 0.000 2.742 501 G HA2 0.627 4.587 3.960 0.000 0.000 0.296 501 G HA3 0.627 4.587 3.960 0.000 0.000 0.296 501 G C -1.963 173.083 174.900 0.242 0.000 1.436 501 G CA -0.900 44.263 45.100 0.105 0.000 0.928 501 G HN 0.321 nan 8.290 nan 0.000 0.520 502 L N 0.515 121.956 121.223 0.364 0.000 2.381 502 L HA 0.910 5.250 4.340 0.000 0.000 0.268 502 L C 0.296 177.242 176.870 0.126 0.000 0.997 502 L CA -0.835 54.129 54.840 0.207 0.000 0.818 502 L CB 2.165 44.273 42.059 0.082 0.000 1.310 502 L HN 0.881 nan 8.230 nan 0.000 0.416 503 A N 1.641 124.341 122.820 -0.200 0.000 2.588 503 A HA 0.907 5.228 4.320 0.000 0.000 0.290 503 A C -1.898 175.297 177.584 -0.649 0.000 1.136 503 A CA -0.395 51.428 52.037 -0.358 0.000 0.681 503 A CB 1.525 20.248 19.000 -0.461 0.000 1.282 503 A HN 0.426 nan 8.150 nan 0.000 0.421 504 F N -1.151 118.687 119.950 -0.187 0.000 2.620 504 F HA 0.838 5.365 4.527 0.000 0.000 0.320 504 F C 0.474 176.159 175.800 -0.191 0.000 1.069 504 F CA 0.070 57.922 58.000 -0.246 0.000 0.953 504 F CB 2.501 41.231 39.000 -0.449 0.000 1.322 504 F HN 0.973 nan 8.300 nan 0.000 0.479 505 A N 0.692 123.571 122.820 0.097 0.000 2.556 505 A HA 0.997 5.317 4.320 0.000 0.000 0.294 505 A C -1.724 175.910 177.584 0.085 0.000 1.091 505 A CA -0.369 51.664 52.037 -0.006 0.000 0.704 505 A CB 1.634 20.364 19.000 -0.450 0.000 1.300 505 A HN 1.347 nan 8.150 nan 0.000 0.406 506 A N 0.285 123.162 122.820 0.094 0.000 2.587 506 A HA 0.804 5.124 4.320 0.000 0.000 0.293 506 A C -0.961 176.647 177.584 0.040 0.000 1.087 506 A CA -0.340 51.736 52.037 0.065 0.000 0.692 506 A CB 1.393 20.425 19.000 0.053 0.000 1.291 506 A HN 0.921 nan 8.150 nan 0.000 0.407 507 E N 0.549 120.759 120.200 0.017 0.000 2.199 507 E HA 0.551 4.901 4.350 0.000 0.000 0.269 507 E C 0.236 176.752 176.600 -0.139 0.000 0.899 507 E CA -0.639 55.658 56.400 -0.171 0.000 0.772 507 E CB 1.734 31.329 29.700 -0.175 0.000 1.155 507 E HN 0.983 nan 8.360 nan 0.000 0.408 508 G N 2.605 111.279 108.800 -0.210 0.000 2.527 508 G HA2 0.192 4.153 3.960 0.000 0.000 0.248 508 G HA3 0.192 4.153 3.960 0.000 0.000 0.248 508 G C -0.203 174.624 174.900 -0.122 0.000 1.231 508 G CA -0.327 44.677 45.100 -0.160 0.000 0.838 508 G HN 0.685 nan 8.290 nan 0.000 0.570 509 N N -1.558 117.082 118.700 -0.099 0.000 3.061 509 N HA 0.186 4.926 4.740 0.000 0.000 0.346 509 N C 1.096 176.558 175.510 -0.079 0.000 1.392 509 N CA -0.305 52.703 53.050 -0.069 0.000 0.762 509 N CB 0.517 38.983 38.487 -0.036 0.000 1.367 509 N HN 0.544 nan 8.380 nan 0.000 0.607 510 E N -1.339 118.826 120.200 -0.059 0.000 2.347 510 E HA -0.147 4.203 4.350 0.000 0.000 0.196 510 E C 0.763 177.316 176.600 -0.078 0.000 1.008 510 E CA 1.410 57.774 56.400 -0.060 0.000 0.852 510 E CB -0.553 29.123 29.700 -0.040 0.000 0.783 510 E HN 0.736 nan 8.360 nan 0.000 0.505 511 T N -2.355 112.142 114.554 -0.095 0.000 2.995 511 T HA 0.099 4.449 4.350 0.000 0.000 0.269 511 T C 1.762 176.345 174.700 -0.195 0.000 1.091 511 T CA 0.975 62.991 62.100 -0.141 0.000 1.128 511 T CB -0.347 68.417 68.868 -0.172 0.000 0.891 511 T HN 0.443 nan 8.240 nan 0.000 0.492 512 G N 0.956 109.646 108.800 -0.183 0.000 2.168 512 G HA2 -0.213 3.747 3.960 0.000 0.000 0.263 512 G HA3 -0.213 3.747 3.960 0.000 0.000 0.263 512 G C -0.071 174.676 174.900 -0.254 0.000 0.977 512 G CA 0.623 45.611 45.100 -0.188 0.000 0.659 512 G HN 0.681 nan 8.290 nan 0.000 0.533 513 L N -0.591 120.409 121.223 -0.372 0.000 2.333 513 L HA 0.906 5.246 4.340 0.000 0.000 0.263 513 L C 0.189 176.814 176.870 -0.408 0.000 1.014 513 L CA -0.698 53.852 54.840 -0.482 0.000 0.820 513 L CB 2.325 43.864 42.059 -0.868 0.000 1.352 513 L HN 0.428 nan 8.230 nan 0.000 0.421 514 A N 1.340 123.988 122.820 -0.286 0.000 2.488 514 A HA 0.699 5.019 4.320 0.000 0.000 0.298 514 A C -1.258 176.168 177.584 -0.265 0.000 1.044 514 A CA -0.392 51.461 52.037 -0.306 0.000 0.693 514 A CB 1.943 20.708 19.000 -0.390 0.000 1.272 514 A HN 0.732 nan 8.150 nan 0.000 0.402 515 E N 2.118 122.055 120.200 -0.438 0.000 2.448 515 E HA 0.525 4.875 4.350 0.000 0.000 0.288 515 E C -2.020 174.224 176.600 -0.593 0.000 0.936 515 E CA -0.215 55.964 56.400 -0.369 0.000 0.809 515 E CB 0.751 30.329 29.700 -0.203 0.000 1.408 515 E HN 0.468 nan 8.360 nan 0.000 0.393 516 F N 2.681 122.446 119.950 -0.309 0.000 2.480 516 F HA 0.481 5.009 4.527 0.000 0.000 0.329 516 F C -0.628 174.832 175.800 -0.566 0.000 1.091 516 F CA -0.577 57.278 58.000 -0.241 0.000 0.972 516 F CB 1.149 40.124 39.000 -0.042 0.000 1.150 516 F HN 0.335 nan 8.300 nan 0.000 0.467 517 Y N 3.136 123.549 120.300 0.188 0.000 2.328 517 Y HA 0.591 5.141 4.550 0.000 0.000 0.336 517 Y C -0.324 175.743 175.900 0.279 0.000 0.960 517 Y CA -0.913 57.265 58.100 0.131 0.000 1.134 517 Y CB 1.275 39.742 38.460 0.012 0.000 1.166 517 Y HN 0.316 nan 8.280 nan 0.000 0.464 518 I N 2.423 123.154 120.570 0.268 0.000 2.355 518 I HA 0.392 4.562 4.170 0.000 0.000 0.288 518 I C 0.835 177.160 176.117 0.346 0.000 0.999 518 I CA -0.160 61.271 61.300 0.219 0.000 1.163 518 I CB 1.754 39.595 38.000 -0.266 0.000 1.316 518 I HN 0.948 nan 8.210 nan 0.000 0.454 519 G N 4.892 113.997 108.800 0.507 0.000 3.062 519 G HA2 0.113 4.073 3.960 0.000 0.000 0.228 519 G HA3 0.113 4.073 3.960 0.000 0.000 0.228 519 G C 0.212 175.304 174.900 0.321 0.000 1.094 519 G CA 0.236 45.549 45.100 0.354 0.000 0.782 519 G HN 0.500 nan 8.290 nan 0.000 0.541 520 Q N -0.287 119.687 119.800 0.291 0.000 2.438 520 Q HA 0.515 4.855 4.340 0.000 0.000 0.272 520 Q C -2.583 173.521 176.000 0.174 0.000 0.994 520 Q CA -0.642 55.144 55.803 -0.028 0.000 0.887 520 Q CB 2.298 30.950 28.738 -0.144 0.000 1.432 520 Q HN 0.193 nan 8.270 nan 0.000 0.392 521 L N 1.971 123.158 121.223 -0.060 0.000 2.526 521 L HA 0.935 5.275 4.340 0.000 0.000 0.263 521 L C -2.197 174.578 176.870 -0.158 0.000 0.943 521 L CA 0.165 55.082 54.840 0.129 0.000 0.859 521 L CB 1.978 44.215 42.059 0.297 0.000 1.313 521 L HN 0.747 nan 8.230 nan 0.000 0.406 522 A N 3.777 126.581 122.820 -0.027 0.000 2.574 522 A HA 0.844 5.165 4.320 0.000 0.000 0.297 522 A C -1.890 175.709 177.584 0.024 0.000 1.062 522 A CA -0.554 51.418 52.037 -0.108 0.000 0.686 522 A CB 2.064 20.978 19.000 -0.143 0.000 1.285 522 A HN 0.609 nan 8.150 nan 0.000 0.403 523 V N 1.546 121.482 119.914 0.037 0.000 2.378 523 V HA 0.841 4.961 4.120 0.000 0.000 0.288 523 V C 0.616 176.729 176.094 0.033 0.000 1.016 523 V CA 0.715 63.041 62.300 0.043 0.000 0.840 523 V CB 0.794 32.644 31.823 0.045 0.000 0.994 523 V HN 1.901 nan 8.190 nan 0.000 0.431 524 G N 3.444 112.258 108.800 0.024 0.000 2.323 524 G HA2 0.689 4.649 3.960 0.000 0.000 0.291 524 G HA3 0.689 4.649 3.960 0.000 0.000 0.291 524 G C -1.290 173.625 174.900 0.024 0.000 1.278 524 G CA 0.060 45.173 45.100 0.022 0.000 0.860 524 G HN 1.009 nan 8.290 nan 0.000 0.504 525 A N -1.313 121.520 122.820 0.023 0.000 2.322 525 A HA 0.832 5.152 4.320 0.000 0.000 0.327 525 A C 0.238 177.837 177.584 0.025 0.000 1.134 525 A CA 0.718 52.768 52.037 0.023 0.000 0.831 525 A CB 0.612 19.623 19.000 0.019 0.000 1.288 525 A HN 2.032 nan 8.150 nan 0.000 0.472 526 D N 0.765 121.180 120.400 0.024 0.000 2.358 526 D HA 0.491 5.131 4.640 0.000 0.000 0.258 526 D C 0.290 176.601 176.300 0.018 0.000 1.223 526 D CA 0.487 54.501 54.000 0.023 0.000 0.886 526 D CB 0.035 nan 40.800 nan 0.000 1.120 526 D HN 0.926 nan 8.370 nan 0.000 0.482 527 S N 0.018 115.728 115.700 0.017 0.000 2.600 527 S HA 0.681 5.151 4.470 0.000 0.000 0.300 527 S C 0.076 174.679 174.600 0.005 0.000 1.087 527 S CA -0.503 57.704 58.200 0.012 0.000 0.965 527 S CB 1.374 64.583 63.200 0.014 0.000 1.089 527 S HN 0.882 nan 8.310 nan 0.000 0.496 528 E N 0.132 120.332 120.200 0.000 0.000 2.408 528 E HA 0.228 4.578 4.350 0.000 0.000 0.259 528 E C -0.188 176.401 176.600 -0.017 0.000 1.110 528 E CA -0.923 55.473 56.400 -0.007 0.000 0.929 528 E CB -0.454 29.242 29.700 -0.007 0.000 0.971 528 E HN 0.856 nan 8.360 nan 0.000 0.438 529 K N 0.350 120.735 120.400 -0.025 0.000 2.295 529 K HA 0.411 4.732 4.320 0.000 0.000 0.270 529 K C -2.281 174.290 176.600 -0.049 0.000 1.011 529 K CA -1.397 54.864 56.287 -0.042 0.000 0.953 529 K CB -0.094 32.378 32.500 -0.047 0.000 0.956 529 K HN 0.302 nan 8.250 nan 0.000 0.477 530 P HA 0.047 nan 4.420 nan 0.000 0.272 530 P C -0.812 176.450 177.300 -0.063 0.000 1.230 530 P CA -0.529 62.528 63.100 -0.072 0.000 0.788 530 P CB 0.691 32.319 31.700 -0.121 0.000 0.949 531 A N 1.490 124.285 122.820 -0.042 0.000 2.386 531 A HA 0.491 4.811 4.320 0.000 0.000 0.248 531 A C 0.473 178.032 177.584 -0.042 0.000 1.082 531 A CA -0.087 51.931 52.037 -0.032 0.000 0.789 531 A CB -0.518 18.475 19.000 -0.011 0.000 1.025 531 A HN 0.630 nan 8.150 nan 0.000 0.490 532 A N 3.027 125.824 122.820 -0.039 0.000 2.511 532 A HA 0.511 4.831 4.320 0.000 0.000 0.242 532 A C -1.883 175.683 177.584 -0.031 0.000 1.069 532 A CA -0.840 51.170 52.037 -0.045 0.000 0.763 532 A CB -0.618 18.361 19.000 -0.033 0.000 1.001 532 A HN 0.684 nan 8.150 nan 0.000 0.498 533 P HA 0.118 nan 4.420 nan 0.000 0.274 533 P C -0.688 176.610 177.300 -0.004 0.000 1.231 533 P CA -0.582 62.496 63.100 -0.037 0.000 0.790 533 P CB 0.564 32.150 31.700 -0.191 0.000 0.951 534 N N 1.507 120.241 118.700 0.056 0.000 3.050 534 N HA 0.065 4.805 4.740 0.000 0.000 0.289 534 N C -0.505 175.071 175.510 0.109 0.000 1.209 534 N CA -0.238 52.852 53.050 0.067 0.000 1.154 534 N CB -0.595 37.931 38.487 0.066 0.000 1.444 534 N HN 0.005 nan 8.380 nan 0.000 0.529 535 V N 1.966 121.933 119.914 0.089 0.000 2.508 535 V HA 0.092 4.212 4.120 0.000 0.000 0.281 535 V C 0.154 176.299 176.094 0.086 0.000 1.041 535 V CA -0.458 61.928 62.300 0.144 0.000 1.016 535 V CB -0.190 31.693 31.823 0.101 0.000 0.984 535 V HN 0.514 nan 8.190 nan 0.000 0.478 536 N N 2.895 121.643 118.700 0.081 0.000 2.361 536 N HA 0.577 5.317 4.740 0.000 0.000 0.302 536 N C -0.834 174.685 175.510 0.014 0.000 1.074 536 N CA -0.517 52.551 53.050 0.029 0.000 0.850 536 N CB 2.104 40.598 38.487 0.010 0.000 1.228 536 N HN 0.427 nan 8.380 nan 0.000 0.491 537 V N 2.694 122.601 119.914 -0.010 0.000 2.407 537 V HA 0.524 4.644 4.120 0.000 0.000 0.278 537 V C 0.214 176.282 176.094 -0.045 0.000 1.037 537 V CA -0.378 61.897 62.300 -0.041 0.000 0.900 537 V CB 0.477 32.249 31.823 -0.085 0.000 0.983 537 V HN 0.540 nan 8.190 nan 0.000 0.459 538 R N 2.656 123.137 120.500 -0.032 0.000 2.836 538 R HA 0.521 4.861 4.340 0.000 0.000 0.269 538 R C -0.806 175.509 176.300 0.025 0.000 1.010 538 R CA -1.133 54.967 56.100 0.000 0.000 0.930 538 R CB 1.752 32.067 30.300 0.026 0.000 1.218 538 R HN 0.647 nan 8.270 nan 0.000 0.473 539 Q N 0.587 120.424 119.800 0.063 0.000 2.421 539 Q HA 0.081 4.421 4.340 0.000 0.000 0.255 539 Q C -0.859 175.271 176.000 0.216 0.000 1.013 539 Q CA 0.461 56.333 55.803 0.116 0.000 0.895 539 Q CB 0.229 29.041 28.738 0.124 0.000 1.271 539 Q HN 0.424 nan 8.270 nan 0.000 0.460 540 Y N 2.218 122.590 120.300 0.120 0.000 2.464 540 Y HA 0.224 4.774 4.550 0.000 0.000 0.326 540 Y C -0.171 175.793 175.900 0.106 0.000 0.969 540 Y CA -0.864 57.331 58.100 0.159 0.000 1.270 540 Y CB 0.507 39.105 38.460 0.231 0.000 1.103 540 Y HN 0.678 nan 8.280 nan 0.000 0.491 541 D N 5.490 125.702 120.400 -0.312 0.000 2.133 541 D HA -0.165 4.475 4.640 0.000 0.000 0.195 541 D C -0.655 175.441 176.300 -0.340 0.000 0.997 541 D CA 1.782 55.637 54.000 -0.242 0.000 0.840 541 D CB -1.041 39.665 40.800 -0.157 0.000 0.947 541 D HN 0.529 nan 8.370 nan 0.000 0.452 542 P HA -0.022 nan 4.420 nan 0.000 0.223 542 P C -0.119 177.054 177.300 -0.210 0.000 1.151 542 P CA 0.949 63.803 63.100 -0.411 0.000 0.787 542 P CB 0.208 31.616 31.700 -0.486 0.000 0.788 543 D N -1.371 118.943 120.400 -0.144 0.000 2.454 543 D HA 0.176 4.816 4.640 0.000 0.000 0.247 543 D C -2.007 174.365 176.300 0.121 0.000 1.129 543 D CA -2.502 51.556 54.000 0.098 0.000 0.877 543 D CB 0.968 41.963 40.800 0.325 0.000 1.082 543 D HN -0.128 nan 8.370 nan 0.000 0.537 544 P HA -0.088 nan 4.420 nan 0.000 0.225 544 P C 0.930 178.317 177.300 0.145 0.000 1.148 544 P CA 0.818 63.980 63.100 0.104 0.000 0.779 544 P CB 0.245 31.986 31.700 0.067 0.000 0.780 545 S N -2.329 113.448 115.700 0.128 0.000 2.575 545 S HA 0.262 4.732 4.470 0.000 0.000 0.215 545 S C 1.087 175.742 174.600 0.091 0.000 0.966 545 S CA -0.167 58.102 58.200 0.115 0.000 0.911 545 S CB -0.517 62.734 63.200 0.085 0.000 0.780 545 S HN 0.096 nan 8.310 nan 0.000 0.514 546 G N 1.478 110.364 108.800 0.143 0.000 2.491 546 G HA2 0.717 4.678 3.960 0.000 0.000 0.327 546 G HA3 0.717 4.678 3.960 0.000 0.000 0.327 546 G C -0.563 174.359 174.900 0.038 0.000 1.189 546 G CA -1.150 44.004 45.100 0.089 0.000 0.956 546 G HN 0.641 nan 8.290 nan 0.000 0.491 547 I N -2.612 117.893 120.570 -0.107 0.000 3.174 547 I HA 0.746 4.916 4.170 0.000 0.000 0.313 547 I C -0.947 175.165 176.117 -0.008 0.000 1.155 547 I CA -1.335 59.930 61.300 -0.059 0.000 0.977 547 I CB 2.553 40.460 38.000 -0.155 0.000 1.248 547 I HN 0.613 nan 8.210 nan 0.000 0.453 548 Q N 3.547 123.397 119.800 0.082 0.000 2.356 548 Q HA 0.672 5.012 4.340 0.000 0.000 0.270 548 Q C -1.940 174.083 176.000 0.038 0.000 1.058 548 Q CA -0.967 54.913 55.803 0.127 0.000 0.802 548 Q CB 2.775 31.708 28.738 0.324 0.000 1.303 548 Q HN 0.720 nan 8.270 nan 0.000 0.444 549 L N 2.389 123.633 121.223 0.036 0.000 2.289 549 L HA 0.693 5.034 4.340 0.000 0.000 0.285 549 L C -0.712 176.082 176.870 -0.126 0.000 1.049 549 L CA -1.101 53.778 54.840 0.064 0.000 0.804 549 L CB 1.625 43.827 42.059 0.238 0.000 1.195 549 L HN 0.501 nan 8.230 nan 0.000 0.428 550 V N 1.799 121.635 119.914 -0.131 0.000 2.841 550 V HA 0.565 4.685 4.120 0.000 0.000 0.310 550 V C -1.017 174.968 176.094 -0.182 0.000 1.090 550 V CA -0.562 61.480 62.300 -0.431 0.000 0.930 550 V CB 1.882 33.527 31.823 -0.296 0.000 1.014 550 V HN 0.898 nan 8.190 nan 0.000 0.425 551 W N 1.797 122.974 121.300 -0.205 0.000 3.003 551 W HA 0.830 5.490 4.660 0.000 0.000 0.362 551 W C -0.897 175.513 176.519 -0.181 0.000 1.213 551 W CA -1.076 56.151 57.345 -0.196 0.000 1.157 551 W CB 0.999 30.292 29.460 -0.278 0.000 1.493 551 W HN 0.458 nan 8.180 nan 0.000 0.589 552 E N 1.889 122.193 120.200 0.174 0.000 2.089 552 E HA 0.265 4.615 4.350 0.000 0.000 0.284 552 E C -0.537 176.192 176.600 0.215 0.000 1.023 552 E CA -0.687 55.774 56.400 0.101 0.000 0.819 552 E CB 0.736 30.485 29.700 0.083 0.000 1.076 552 E HN 0.342 nan 8.360 nan 0.000 0.396 553 K N 3.701 124.180 120.400 0.130 0.000 2.412 553 K HA 0.041 4.362 4.320 0.000 0.000 0.284 553 K C -0.685 176.033 176.600 0.196 0.000 1.046 553 K CA 0.060 56.471 56.287 0.207 0.000 0.999 553 K CB 0.449 32.947 32.500 -0.003 0.000 0.941 553 K HN 0.363 nan 8.250 nan 0.000 0.474 554 Q N 2.261 122.206 119.800 0.241 0.000 2.241 554 Q HA 0.119 4.459 4.340 0.000 0.000 0.254 554 Q C 0.729 176.797 176.000 0.112 0.000 0.917 554 Q CA 0.023 55.911 55.803 0.142 0.000 0.919 554 Q CB 1.654 30.457 28.738 0.108 0.000 1.237 554 Q HN 0.851 nan 8.270 nan 0.000 0.434 555 S N 1.509 117.261 115.700 0.086 0.000 2.447 555 S HA -0.184 4.286 4.470 0.000 0.000 0.233 555 S C 0.933 175.568 174.600 0.059 0.000 1.006 555 S CA 1.342 59.588 58.200 0.077 0.000 0.957 555 S CB -0.298 62.942 63.200 0.067 0.000 0.773 555 S HN 0.778 nan 8.310 nan 0.000 0.507 556 N N 0.338 119.062 118.700 0.041 0.000 2.398 556 N HA 0.134 4.874 4.740 0.000 0.000 0.188 556 N C -0.389 175.117 175.510 -0.007 0.000 1.122 556 N CA -0.137 52.927 53.050 0.024 0.000 0.866 556 N CB 0.191 38.686 38.487 0.013 0.000 0.970 556 N HN 0.206 nan 8.380 nan 0.000 0.462 557 V N 1.227 121.125 119.914 -0.027 0.000 2.370 557 V HA 0.075 4.195 4.120 0.000 0.000 0.279 557 V C 0.917 176.957 176.094 -0.091 0.000 1.029 557 V CA -0.611 61.601 62.300 -0.146 0.000 0.870 557 V CB 1.018 32.661 31.823 -0.300 0.000 0.984 557 V HN 0.314 nan 8.190 nan 0.000 0.451 558 H N 4.935 123.885 119.070 -0.199 0.000 2.317 558 H HA 0.068 4.624 4.556 0.000 0.000 0.304 558 H C 0.781 176.094 175.328 -0.025 0.000 1.067 558 H CA 1.848 57.859 56.048 -0.062 0.000 1.352 558 H CB 0.303 30.062 29.762 -0.006 0.000 1.398 558 H HN 0.814 nan 8.280 nan 0.000 0.510 559 H N -3.432 115.469 119.070 -0.283 0.000 2.948 559 H HA 0.171 4.727 4.556 0.000 0.000 0.315 559 H C -1.782 173.215 175.328 -0.551 0.000 1.360 559 H CA -1.046 54.831 56.048 -0.286 0.000 1.125 559 H CB 0.281 29.970 29.762 -0.123 0.000 1.844 559 H HN 0.176 nan 8.280 nan 0.000 0.529 560 Y N 0.243 120.454 120.300 -0.149 0.000 2.429 560 Y HA 0.578 5.129 4.550 0.000 0.000 0.342 560 Y C 0.328 176.105 175.900 -0.205 0.000 1.004 560 Y CA -0.845 57.054 58.100 -0.335 0.000 1.075 560 Y CB 2.062 40.204 38.460 -0.530 0.000 1.214 560 Y HN 0.313 nan 8.280 nan 0.000 0.455 561 R N 1.729 122.129 120.500 -0.167 0.000 2.494 561 R HA 0.703 5.043 4.340 0.000 0.000 0.305 561 R C -1.636 174.524 176.300 -0.235 0.000 0.959 561 R CA -1.028 54.928 56.100 -0.240 0.000 0.864 561 R CB 2.145 32.272 30.300 -0.289 0.000 1.159 561 R HN 0.382 nan 8.270 nan 0.000 0.446 562 V N 4.150 123.880 119.914 -0.307 0.000 2.357 562 V HA 0.333 4.454 4.120 0.000 0.000 0.284 562 V C -0.939 174.963 176.094 -0.320 0.000 1.018 562 V CA -0.765 61.417 62.300 -0.197 0.000 0.841 562 V CB 0.746 32.504 31.823 -0.108 0.000 0.991 562 V HN 0.598 nan 8.190 nan 0.000 0.437 563 Y N 3.129 123.399 120.300 -0.050 0.000 2.387 563 Y HA 0.555 5.105 4.550 0.000 0.000 0.336 563 Y C 0.319 176.228 175.900 0.017 0.000 1.067 563 Y CA -0.579 57.508 58.100 -0.022 0.000 1.114 563 Y CB 1.758 40.219 38.460 0.003 0.000 1.208 563 Y HN 0.484 nan 8.280 nan 0.000 0.458 564 K N 2.977 123.472 120.400 0.157 0.000 2.244 564 K HA 0.298 4.618 4.320 0.000 0.000 0.260 564 K C -0.744 175.931 176.600 0.125 0.000 0.951 564 K CA -0.523 55.820 56.287 0.095 0.000 0.826 564 K CB 1.241 33.758 32.500 0.029 0.000 1.108 564 K HN 0.808 nan 8.250 nan 0.000 0.433 569 E N 4.419 124.719 120.200 0.167 0.000 2.292 569 E HA 0.261 4.611 4.350 0.000 0.000 0.272 569 E C -1.510 175.151 176.600 0.102 0.000 0.881 569 E CA -0.965 55.517 56.400 0.136 0.000 0.754 569 E CB 1.429 31.163 29.700 0.058 0.000 1.201 569 E HN 0.528 nan 8.360 nan 0.000 0.425 570 L N 6.384 127.573 121.223 -0.057 0.000 2.477 570 L HA 0.178 4.518 4.340 0.000 0.000 0.272 570 L C 0.464 177.136 176.870 -0.330 0.000 1.157 570 L CA 0.715 55.251 54.840 -0.506 0.000 0.889 570 L CB 0.378 42.033 42.059 -0.674 0.000 1.158 570 L HN 0.696 nan 8.230 nan 0.000 0.473 571 I N 1.800 122.186 120.570 -0.307 0.000 4.082 571 I HA 0.656 4.826 4.170 0.000 0.000 0.337 571 I C 0.597 176.606 176.117 -0.180 0.000 1.352 571 I CA 0.117 61.309 61.300 -0.181 0.000 1.097 571 I CB 0.076 38.016 38.000 -0.101 0.000 1.048 571 I HN 0.634 nan 8.210 nan 0.000 0.393 572 G N 0.958 109.595 108.800 -0.272 0.000 2.442 572 G HA2 0.466 4.427 3.960 0.000 0.000 0.296 572 G HA3 0.466 4.427 3.960 0.000 0.000 0.296 572 G C -1.030 173.721 174.900 -0.248 0.000 1.564 572 G CA -0.040 44.940 45.100 -0.199 0.000 0.828 572 G HN 0.199 nan 8.290 nan 0.000 0.571 573 T N -2.036 112.415 114.554 -0.171 0.000 2.907 573 T HA 0.851 5.202 4.350 0.000 0.000 0.292 573 T C -0.431 174.313 174.700 0.074 0.000 1.043 573 T CA -0.660 61.383 62.100 -0.097 0.000 1.003 573 T CB 2.075 70.811 68.868 -0.218 0.000 1.084 573 T HN 1.677 nan 8.240 nan 0.000 0.483 574 S N -0.305 115.512 115.700 0.196 0.000 2.543 574 S HA 0.627 5.097 4.470 0.000 0.000 0.271 574 S C -0.064 174.735 174.600 0.332 0.000 1.148 574 S CA -0.286 58.076 58.200 0.271 0.000 0.914 574 S CB 1.214 64.653 63.200 0.399 0.000 1.096 574 S HN 1.323 nan 8.310 nan 0.000 0.471 575 A N 3.239 126.189 122.820 0.217 0.000 2.507 575 A HA 0.684 5.004 4.320 0.000 0.000 0.270 575 A C 0.842 178.525 177.584 0.165 0.000 1.318 575 A CA 0.322 52.465 52.037 0.177 0.000 0.924 575 A CB -0.648 18.377 19.000 0.042 0.000 1.061 575 A HN 1.041 nan 8.150 nan 0.000 0.516 576 G N -0.482 108.398 108.800 0.133 0.000 3.212 576 G HA2 0.435 4.395 3.960 0.000 0.000 0.188 576 G HA3 0.435 4.395 3.960 0.000 0.000 0.188 576 G C -0.037 174.619 174.900 -0.406 0.000 1.254 576 G CA 0.448 45.400 45.100 -0.246 0.000 0.957 576 G HN 0.169 nan 8.290 nan 0.000 0.596 577 D N -1.278 118.632 120.400 -0.816 0.000 2.363 577 D HA 0.135 4.775 4.640 0.000 0.000 0.214 577 D C 0.764 175.968 176.300 -1.827 0.000 1.093 577 D CA -0.221 53.105 54.000 -1.123 0.000 0.837 577 D CB 0.252 40.619 40.800 -0.721 0.000 0.948 577 D HN 0.660 nan 8.370 nan 0.000 0.507 578 R N -1.425 118.231 120.500 -1.407 0.000 2.752 578 R HA 0.656 4.996 4.340 0.000 0.000 0.277 578 R C -1.920 174.103 176.300 -0.460 0.000 1.024 578 R CA -1.036 54.283 56.100 -1.302 0.000 0.866 578 R CB 0.729 30.532 30.300 -0.828 0.000 1.278 578 R HN 0.026 nan 8.270 nan 0.000 0.473 579 I N 0.865 121.370 120.570 -0.108 0.000 2.775 579 I HA 0.368 4.538 4.170 0.000 0.000 0.295 579 I C -1.678 174.596 176.117 0.262 0.000 1.287 579 I CA -1.067 60.355 61.300 0.203 0.000 1.029 579 I CB 2.436 40.578 38.000 0.235 0.000 1.282 579 I HN 0.758 nan 8.210 nan 0.000 0.426 580 Y N 7.493 127.850 120.300 0.096 0.000 2.299 580 Y HA 0.713 5.263 4.550 0.000 0.000 0.326 580 Y C -1.559 174.301 175.900 -0.065 0.000 1.164 580 Y CA -0.220 57.808 58.100 -0.120 0.000 1.234 580 Y CB 0.986 39.109 38.460 -0.562 0.000 1.219 580 Y HN 0.425 nan 8.280 nan 0.000 0.497 581 L N 6.519 127.212 121.223 -0.883 0.000 2.436 581 L HA 0.377 4.718 4.340 0.000 0.000 0.268 581 L C -0.802 175.543 176.870 -0.874 0.000 0.974 581 L CA -0.956 53.485 54.840 -0.664 0.000 0.826 581 L CB 2.148 44.037 42.059 -0.283 0.000 1.291 581 L HN 0.723 nan 8.230 nan 0.000 0.406 582 E N 1.354 121.212 120.200 -0.571 0.000 2.250 582 E HA 0.594 4.945 4.350 0.000 0.000 0.269 582 E C 0.779 177.304 176.600 -0.126 0.000 1.018 582 E CA -0.154 56.073 56.400 -0.290 0.000 0.873 582 E CB 1.661 31.357 29.700 -0.007 0.000 1.134 582 E HN 0.718 nan 8.360 nan 0.000 0.403 583 G N 1.121 109.888 108.800 -0.054 0.000 2.212 583 G HA2 -0.313 3.647 3.960 0.000 0.000 0.266 583 G HA3 -0.313 3.647 3.960 0.000 0.000 0.266 583 G C 0.693 175.580 174.900 -0.022 0.000 0.978 583 G CA 0.588 45.679 45.100 -0.016 0.000 0.632 583 G HN 0.475 nan 8.290 nan 0.000 0.537 584 L N -0.022 121.169 121.223 -0.054 0.000 2.270 584 L HA 0.096 4.436 4.340 0.000 0.000 0.210 584 L C 2.856 179.715 176.870 -0.018 0.000 1.104 584 L CA 0.824 55.636 54.840 -0.046 0.000 0.804 584 L CB -0.413 41.598 42.059 -0.080 0.000 0.937 584 L HN 0.204 nan 8.230 nan 0.000 0.450 585 V N 0.182 120.094 119.914 -0.003 0.000 2.295 585 V HA -0.276 3.844 4.120 0.000 0.000 0.246 585 V C 2.547 178.692 176.094 0.086 0.000 1.049 585 V CA 2.023 64.367 62.300 0.074 0.000 1.024 585 V CB -0.362 31.546 31.823 0.141 0.000 0.648 585 V HN 0.405 nan 8.190 nan 0.000 0.447 586 E N 0.694 120.929 120.200 0.060 0.000 2.038 586 E HA -0.278 4.072 4.350 0.000 0.000 0.195 586 E C 2.225 178.848 176.600 0.038 0.000 1.000 586 E CA 2.034 58.464 56.400 0.049 0.000 0.803 586 E CB -0.392 29.332 29.700 0.039 0.000 0.750 586 E HN 0.653 nan 8.360 nan 0.000 0.448 587 E N -0.389 119.826 120.200 0.026 0.000 2.160 587 E HA -0.200 4.150 4.350 0.000 0.000 0.195 587 E C 1.728 178.342 176.600 0.024 0.000 0.991 587 E CA 1.458 57.870 56.400 0.019 0.000 0.810 587 E CB -0.213 29.492 29.700 0.008 0.000 0.742 587 E HN 0.354 nan 8.360 nan 0.000 0.466 588 S N -0.639 115.081 115.700 0.033 0.000 2.515 588 S HA -0.040 4.431 4.470 0.000 0.000 0.231 588 S C 2.055 176.684 174.600 0.048 0.000 0.987 588 S CA 0.949 59.173 58.200 0.041 0.000 0.936 588 S CB -0.023 63.211 63.200 0.057 0.000 0.766 588 S HN 0.339 nan 8.310 nan 0.000 0.528 589 K N 0.167 120.595 120.400 0.048 0.000 2.147 589 K HA 0.044 4.364 4.320 0.000 0.000 0.205 589 K C 2.368 178.985 176.600 0.027 0.000 1.049 589 K CA 1.853 58.163 56.287 0.039 0.000 0.936 589 K CB -1.686 30.834 32.500 0.035 0.000 0.722 589 K HN 0.852 nan 8.250 nan 0.000 0.446 590 Q N 0.136 119.951 119.800 0.024 0.000 2.322 590 Q HA 0.237 4.577 4.340 0.000 0.000 0.250 590 Q C 0.589 176.599 176.000 0.017 0.000 0.853 590 Q CA 0.273 56.087 55.803 0.019 0.000 0.951 590 Q CB 0.279 29.027 28.738 0.017 0.000 1.114 590 Q HN 0.746 nan 8.270 nan 0.000 0.523 591 N N 0.700 119.410 118.700 0.018 0.000 2.357 591 N HA 0.337 5.078 4.740 0.000 0.000 0.284 591 N C -1.799 173.719 175.510 0.013 0.000 1.236 591 N CA -0.719 52.340 53.050 0.014 0.000 0.774 591 N CB 1.615 40.109 38.487 0.012 0.000 1.534 591 N HN 0.164 nan 8.380 nan 0.000 0.478 592 D N 0.831 121.236 120.400 0.009 0.000 2.389 592 D HA 0.207 4.848 4.640 0.000 0.000 0.247 592 D C -0.130 176.168 176.300 -0.003 0.000 1.128 592 D CA 0.149 54.151 54.000 0.004 0.000 0.884 592 D CB 1.461 42.262 40.800 0.001 0.000 1.194 592 D HN 0.061 nan 8.370 nan 0.000 0.441 593 V N 2.817 122.724 119.914 -0.013 0.000 2.459 593 V HA 0.415 4.535 4.120 0.000 0.000 0.295 593 V C 0.277 176.342 176.094 -0.048 0.000 1.029 593 V CA -0.776 61.508 62.300 -0.026 0.000 0.874 593 V CB 1.807 33.612 31.823 -0.030 0.000 0.985 593 V HN 0.389 nan 8.190 nan 0.000 0.438 594 R N 4.668 125.132 120.500 -0.059 0.000 2.476 594 R HA 0.735 5.076 4.340 0.000 0.000 0.305 594 R C -1.731 174.463 176.300 -0.177 0.000 0.965 594 R CA -0.549 55.477 56.100 -0.125 0.000 0.867 594 R CB 1.243 31.477 30.300 -0.110 0.000 1.176 594 R HN 0.721 nan 8.270 nan 0.000 0.447 595 L N 3.499 124.572 121.223 -0.250 0.000 2.333 595 L HA 0.542 4.882 4.340 0.000 0.000 0.269 595 L C -0.790 175.840 176.870 -0.399 0.000 1.010 595 L CA -1.119 53.593 54.840 -0.213 0.000 0.818 595 L CB 2.171 44.168 42.059 -0.104 0.000 1.306 595 L HN 0.722 nan 8.230 nan 0.000 0.430 596 H N 1.961 121.047 119.070 0.027 0.000 2.609 596 H HA 0.576 5.132 4.556 0.000 0.000 0.344 596 H C -1.182 174.165 175.328 0.032 0.000 1.040 596 H CA -0.393 55.665 56.048 0.016 0.000 1.216 596 H CB 1.906 31.671 29.762 0.004 0.000 1.529 596 H HN 0.296 nan 8.280 nan 0.000 0.519 597 I N 2.492 123.102 120.570 0.067 0.000 2.406 597 I HA 0.230 4.400 4.170 0.000 0.000 0.290 597 I C -0.184 175.897 176.117 -0.060 0.000 0.999 597 I CA -0.326 60.954 61.300 -0.032 0.000 1.124 597 I CB 1.688 39.598 38.000 -0.149 0.000 1.289 597 I HN 0.534 nan 8.210 nan 0.000 0.441 598 E N 4.082 124.237 120.200 -0.076 0.000 2.195 598 E HA 0.777 5.128 4.350 0.000 0.000 0.271 598 E C -0.826 175.608 176.600 -0.276 0.000 0.923 598 E CA -1.083 55.233 56.400 -0.139 0.000 0.790 598 E CB 2.139 31.773 29.700 -0.109 0.000 1.155 598 E HN 0.667 nan 8.360 nan 0.000 0.402 599 A N 3.094 125.710 122.820 -0.340 0.000 2.290 599 A HA 0.493 4.813 4.320 0.000 0.000 0.310 599 A C -0.994 176.251 177.584 -0.566 0.000 1.202 599 A CA -0.533 51.117 52.037 -0.645 0.000 0.837 599 A CB 0.258 18.941 19.000 -0.529 0.000 1.139 599 A HN 0.399 nan 8.150 nan 0.000 0.509 600 L N 2.445 123.219 121.223 -0.749 0.000 2.296 600 L HA 0.419 4.760 4.340 0.000 0.000 0.286 600 L C 1.082 177.663 176.870 -0.483 0.000 1.023 600 L CA 0.294 54.743 54.840 -0.651 0.000 0.812 600 L CB 1.660 43.108 42.059 -1.018 0.000 1.223 600 L HN 0.865 nan 8.230 nan 0.000 0.421 601 S N 1.600 117.133 115.700 -0.278 0.000 2.626 601 S HA 0.154 4.624 4.470 0.000 0.000 0.257 601 S C 0.887 175.468 174.600 -0.032 0.000 1.288 601 S CA -0.367 57.756 58.200 -0.129 0.000 0.980 601 S CB 0.383 63.546 63.200 -0.062 0.000 0.975 601 S HN 0.674 nan 8.310 nan 0.000 0.577 602 E N 0.278 120.509 120.200 0.053 0.000 2.333 602 E HA -0.087 4.264 4.350 0.000 0.000 0.198 602 E C 1.178 177.878 176.600 0.167 0.000 1.007 602 E CA 1.419 57.899 56.400 0.133 0.000 0.845 602 E CB -0.423 29.338 29.700 0.100 0.000 0.766 602 E HN 0.895 nan 8.360 nan 0.000 0.507 603 T N -2.839 111.805 114.554 0.150 0.000 3.176 603 T HA 0.119 4.469 4.350 0.000 0.000 0.263 603 T C 0.350 175.229 174.700 0.297 0.000 1.021 603 T CA -0.561 61.637 62.100 0.163 0.000 0.905 603 T CB -0.231 68.684 68.868 0.079 0.000 1.057 603 T HN 0.036 nan 8.240 nan 0.000 0.558 604 F N 0.205 120.129 119.950 -0.042 0.000 3.057 604 F HA -0.183 4.344 4.527 0.000 0.000 0.287 604 F C 0.199 175.955 175.800 -0.074 0.000 0.834 604 F CA -0.371 57.584 58.000 -0.074 0.000 1.147 604 F CB -2.367 36.603 39.000 -0.051 0.000 1.245 604 F HN 0.188 nan 8.300 nan 0.000 0.509 605 V N 1.914 121.852 119.914 0.039 0.000 2.455 605 V HA 0.269 4.389 4.120 0.000 0.000 0.273 605 V C -1.680 174.350 176.094 -0.106 0.000 1.045 605 V CA -1.312 60.978 62.300 -0.018 0.000 0.976 605 V CB 0.953 32.769 31.823 -0.010 0.000 0.993 605 V HN -0.119 nan 8.190 nan 0.000 0.475 606 P HA 0.263 nan 4.420 nan 0.000 0.284 606 P C -0.160 177.056 177.300 -0.139 0.000 1.253 606 P CA -0.353 62.644 63.100 -0.171 0.000 0.800 606 P CB 0.869 32.476 31.700 -0.154 0.000 0.961 607 S N 1.525 117.129 115.700 -0.160 0.000 2.589 607 S HA 0.128 4.598 4.470 0.000 0.000 0.265 607 S C 0.128 174.667 174.600 -0.101 0.000 1.342 607 S CA -0.507 57.621 58.200 -0.121 0.000 1.005 607 S CB -0.100 63.022 63.200 -0.130 0.000 0.909 607 S HN 0.317 nan 8.310 nan 0.000 0.555 608 D N 1.255 121.609 120.400 -0.077 0.000 2.449 608 D HA 0.354 4.994 4.640 0.000 0.000 0.236 608 D C 0.300 176.562 176.300 -0.062 0.000 1.149 608 D CA 0.639 54.599 54.000 -0.066 0.000 0.878 608 D CB 0.487 41.259 40.800 -0.047 0.000 1.198 608 D HN 0.838 nan 8.370 nan 0.000 0.446 609 A N 2.493 125.282 122.820 -0.052 0.000 2.366 609 A HA 0.312 4.633 4.320 0.000 0.000 0.272 609 A C 0.468 178.066 177.584 0.022 0.000 1.135 609 A CA -0.441 51.586 52.037 -0.016 0.000 0.804 609 A CB 0.425 19.424 19.000 -0.001 0.000 1.064 609 A HN 0.432 nan 8.150 nan 0.000 0.499 610 R N 2.618 123.120 120.500 0.003 0.000 2.298 610 R HA 0.391 4.731 4.340 0.000 0.000 0.310 610 R C -0.158 176.146 176.300 0.007 0.000 1.068 610 R CA 0.109 56.209 56.100 -0.001 0.000 0.957 610 R CB 0.229 30.512 30.300 -0.028 0.000 1.003 610 R HN 0.802 nan 8.270 nan 0.000 0.454 611 M N 5.703 125.302 119.600 -0.001 0.000 2.233 611 M HA 0.386 4.866 4.480 0.000 0.000 0.355 611 M C -1.066 175.173 176.300 -0.101 0.000 1.191 611 M CA -0.289 54.958 55.300 -0.089 0.000 1.101 611 M CB 0.751 33.326 32.600 -0.043 0.000 1.592 611 M HN 0.598 nan 8.290 nan 0.000 0.461 612 I N 3.757 124.235 120.570 -0.153 0.000 2.499 612 I HA 0.325 4.495 4.170 0.000 0.000 0.288 612 I C -1.197 174.849 176.117 -0.118 0.000 1.048 612 I CA -0.839 60.400 61.300 -0.102 0.000 1.062 612 I CB 2.105 40.061 38.000 -0.074 0.000 1.238 612 I HN 0.556 nan 8.210 nan 0.000 0.426 613 D N 6.952 127.305 120.400 -0.079 0.000 2.256 613 D HA 0.544 5.184 4.640 0.000 0.000 0.246 613 D C -0.490 175.783 176.300 -0.044 0.000 1.042 613 D CA -0.128 53.834 54.000 -0.065 0.000 0.841 613 D CB 2.772 43.545 40.800 -0.044 0.000 1.223 613 D HN 0.292 nan 8.370 nan 0.000 0.470 614 I N 1.980 122.527 120.570 -0.039 0.000 2.464 614 I HA 0.179 4.349 4.170 0.000 0.000 0.277 614 I C 0.742 176.860 176.117 0.001 0.000 1.040 614 I CA -0.688 60.601 61.300 -0.018 0.000 1.153 614 I CB 1.017 38.997 38.000 -0.032 0.000 1.274 614 I HN 0.167 nan 8.210 nan 0.000 0.469 615 K N 3.849 124.256 120.400 0.011 0.000 2.436 615 K HA 0.255 4.575 4.320 0.000 0.000 0.275 615 K C 0.558 177.175 176.600 0.029 0.000 0.999 615 K CA -0.153 56.143 56.287 0.016 0.000 0.980 615 K CB 0.647 33.157 32.500 0.016 0.000 0.919 615 K HN 0.604 nan 8.250 nan 0.000 0.484 616 S N 1.028 116.742 115.700 0.024 0.000 2.626 616 S HA 0.348 4.818 4.470 0.000 0.000 0.303 616 S C 1.623 176.244 174.600 0.035 0.000 1.256 616 S CA 1.492 59.709 58.200 0.029 0.000 1.069 616 S CB -0.857 62.355 63.200 0.021 0.000 0.807 616 S HN 2.264 nan 8.310 nan 0.000 0.500 617 G N 3.179 112.006 108.800 0.045 0.000 2.168 617 G HA2 -0.339 3.621 3.960 0.000 0.000 0.263 617 G HA3 -0.339 3.621 3.960 0.000 0.000 0.263 617 G C 0.963 175.893 174.900 0.051 0.000 0.977 617 G CA 1.129 46.253 45.100 0.040 0.000 0.659 617 G HN 1.645 nan 8.290 nan 0.000 0.533 618 S N -1.506 114.240 115.700 0.077 0.000 2.515 618 S HA 0.489 4.959 4.470 0.000 0.000 0.231 618 S C 0.702 175.400 174.600 0.163 0.000 0.987 618 S CA 0.935 59.190 58.200 0.092 0.000 0.936 618 S CB 0.076 63.324 63.200 0.080 0.000 0.766 618 S HN 1.284 nan 8.310 nan 0.000 0.528 619 F N 0.000 119.951 119.950 0.002 0.000 2.286 619 F HA 0.000 4.527 4.527 0.000 0.000 0.279 619 F CA 0.000 58.002 58.000 0.004 0.000 1.383 619 F CB 0.000 39.003 39.000 0.005 0.000 1.145 619 F HN 0.000 nan 8.300 nan 0.000 0.574