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 2x99_1_A DATA FIRST_RESID 6 DATA SEQUENCE GTSQWLRKTV DSAAVILFSK TTCPYCKKVK DVLAEAKIKH ATIELDQLSN DATA SEQUENCE GSAIQKCLAS FSKIETVPQM FVRGKFIGDS QTVLKYYSND ELAGIVNESK DATA SEQUENCE YDYDLIVIGG GSGGLAAGKE AAKYGAKTAV LDYVEPTPIG TTWGLGGTCV DATA SEQUENCE NVGCIPKKLM HQAGLLSHAL EDAEHFGWSL DRSKISHNWS TMVEGVQSHI DATA SEQUENCE GSLNWGYKVA LRDNQVTYLN AKGRLISPHE VQITDKNQKV STITGNKIIL DATA SEQUENCE ATGERPKYPE IPGAVEYGIT SDDLFSLPYF PGKTLVIGAS YVALECAGFL DATA SEQUENCE ASLGGDVTVM VRSILLRGFD QQMAEKVGDY MENHGVKFAK LCVPDEIKQL DATA SEQUENCE KVVDTENNKP GLLLVKGHYT DGKKFEEEFE TVIFAVGREP QLSKVLCETV DATA SEQUENCE GVKLDKNGRV VCTDDEQTTV SNVYAIGDIN AGKPQLTPVA IQAGRYLARR DATA SEQUENCE LFAGATELTD YSNVATTVFT PLEYGACGLS EEDAIEKYGD KDIEVYHSNF DATA SEQUENCE KPLEWTVAHR EDNVCYMKLV CRKSDNMRVL GLHVLGPNAG EITQGYAVAI DATA SEQUENCE KMGATKADFD RTIGIHPTCS ETFTTLHVTK KSGVSPI 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 4.002 3.960 0.070 0.000 0.244 6 G C 0.000 174.971 174.900 0.119 0.000 0.946 6 G CA 0.000 45.142 45.100 0.070 0.000 0.502 7 T N -0.898 113.716 114.554 0.101 0.000 2.995 7 T HA -0.011 4.381 4.350 0.070 0.000 0.269 7 T C 2.381 177.227 174.700 0.244 0.000 1.091 7 T CA 2.402 64.598 62.100 0.159 0.000 1.128 7 T CB -0.045 68.861 68.868 0.063 0.000 0.891 7 T HN 0.271 nan 8.240 nan 0.000 0.492 8 S N 1.161 116.959 115.700 0.165 0.000 2.345 8 S HA -0.151 4.361 4.470 0.070 0.000 0.220 8 S C 2.309 177.006 174.600 0.161 0.000 1.031 8 S CA 1.437 59.730 58.200 0.154 0.000 0.996 8 S CB -0.437 62.820 63.200 0.096 0.000 0.882 8 S HN 0.781 nan 8.310 nan 0.000 0.445 9 Q N -0.456 119.429 119.800 0.142 0.000 2.119 9 Q HA -0.164 4.218 4.340 0.070 0.000 0.201 9 Q C 2.007 178.075 176.000 0.113 0.000 0.972 9 Q CA 1.386 57.256 55.803 0.113 0.000 0.847 9 Q CB -1.034 27.761 28.738 0.094 0.000 0.903 9 Q HN 0.815 nan 8.270 nan 0.000 0.433 10 W N 2.182 123.488 121.300 0.010 0.000 2.333 10 W HA -0.233 4.468 4.660 0.070 0.000 0.316 10 W C 2.031 178.534 176.519 -0.025 0.000 1.215 10 W CA 1.630 58.970 57.345 -0.009 0.000 1.278 10 W CB -0.474 28.979 29.460 -0.011 0.000 1.154 10 W HN 0.184 nan 8.180 nan 0.000 0.486 11 L N 1.635 122.773 121.223 -0.142 0.000 2.046 11 L HA -0.126 4.256 4.340 0.070 0.000 0.208 11 L C 2.659 179.217 176.870 -0.520 0.000 1.077 11 L CA 2.498 57.020 54.840 -0.529 0.000 0.747 11 L CB -1.281 40.701 42.059 -0.129 0.000 0.896 11 L HN 0.042 nan 8.230 nan 0.000 0.432 12 R N 0.167 120.580 120.500 -0.146 0.000 2.080 12 R HA -0.168 4.215 4.340 0.070 0.000 0.236 12 R C 2.259 178.466 176.300 -0.156 0.000 1.137 12 R CA 1.944 58.044 56.100 0.001 0.000 0.943 12 R CB -0.399 29.999 30.300 0.162 0.000 0.846 12 R HN 0.347 nan 8.270 nan 0.000 0.431 13 K N -0.935 119.356 120.400 -0.182 0.000 2.063 13 K HA -0.116 4.246 4.320 0.070 0.000 0.208 13 K C 2.074 178.492 176.600 -0.303 0.000 1.048 13 K CA 2.016 58.188 56.287 -0.193 0.000 0.928 13 K CB -0.213 32.196 32.500 -0.151 0.000 0.713 13 K HN 0.280 nan 8.250 nan 0.000 0.442 14 T N 0.993 115.234 114.554 -0.521 0.000 2.737 14 T HA -0.090 4.302 4.350 0.070 0.000 0.265 14 T C 2.042 176.504 174.700 -0.398 0.000 1.038 14 T CA 1.128 62.899 62.100 -0.547 0.000 1.144 14 T CB -0.130 68.194 68.868 -0.907 0.000 0.866 14 T HN -0.055 nan 8.240 nan 0.000 0.434 15 V N 1.864 121.478 119.914 -0.499 0.000 2.343 15 V HA -0.146 4.016 4.120 0.070 0.000 0.247 15 V C 2.237 178.209 176.094 -0.204 0.000 1.051 15 V CA 1.722 63.725 62.300 -0.496 0.000 1.036 15 V CB -0.537 30.697 31.823 -0.982 0.000 0.654 15 V HN 0.381 nan 8.190 nan 0.000 0.451 16 D N -0.897 119.414 120.400 -0.149 0.000 2.224 16 D HA -0.084 4.599 4.640 0.070 0.000 0.205 16 D C 2.347 178.646 176.300 -0.002 0.000 0.965 16 D CA 1.408 55.396 54.000 -0.019 0.000 0.852 16 D CB 0.078 40.884 40.800 0.009 0.000 0.947 16 D HN 0.371 nan 8.370 nan 0.000 0.494 17 S N -0.866 114.793 115.700 -0.069 0.000 2.468 17 S HA 0.294 4.806 4.470 0.070 0.000 0.226 17 S C 0.871 175.470 174.600 -0.002 0.000 1.051 17 S CA 0.079 58.232 58.200 -0.080 0.000 0.943 17 S CB 0.025 63.101 63.200 -0.207 0.000 0.810 17 S HN 0.211 nan 8.310 nan 0.000 0.509 18 A N 1.025 123.845 122.820 -0.000 0.000 2.498 18 A HA 0.622 4.984 4.320 0.070 0.000 0.239 18 A C 1.320 179.058 177.584 0.255 0.000 1.068 18 A CA 0.487 52.610 52.037 0.144 0.000 0.766 18 A CB 0.053 19.067 19.000 0.023 0.000 1.003 18 A HN 0.576 nan 8.150 nan 0.000 0.497 19 A N 2.071 125.102 122.820 0.353 0.000 1.861 19 A HA 0.397 4.759 4.320 0.070 0.000 0.212 19 A C 0.621 178.302 177.584 0.162 0.000 1.199 19 A CA 1.565 53.731 52.037 0.216 0.000 0.613 19 A CB -0.142 18.909 19.000 0.083 0.000 0.846 19 A HN 1.178 nan 8.150 nan 0.000 0.446 20 V N 0.076 120.088 119.914 0.163 0.000 2.567 20 V HA 0.555 4.717 4.120 0.070 0.000 0.298 20 V C -0.944 175.258 176.094 0.181 0.000 1.047 20 V CA -0.179 62.218 62.300 0.162 0.000 0.880 20 V CB 1.320 33.230 31.823 0.144 0.000 1.009 20 V HN 0.433 nan 8.190 nan 0.000 0.429 21 I N 4.984 125.655 120.570 0.168 0.000 2.619 21 I HA 0.667 4.879 4.170 0.070 0.000 0.292 21 I C -1.822 174.355 176.117 0.099 0.000 1.100 21 I CA -1.003 60.345 61.300 0.079 0.000 1.043 21 I CB 2.263 40.214 38.000 -0.082 0.000 1.239 21 I HN 0.606 nan 8.210 nan 0.000 0.420 22 L N 7.828 129.058 121.223 0.011 0.000 2.319 22 L HA 0.579 4.961 4.340 0.070 0.000 0.281 22 L C -1.627 175.209 176.870 -0.057 0.000 1.005 22 L CA 0.035 54.913 54.840 0.063 0.000 0.828 22 L CB 1.155 43.231 42.059 0.028 0.000 1.227 22 L HN 0.360 nan 8.230 nan 0.000 0.415 23 F N 3.808 123.881 119.950 0.206 0.000 2.411 23 F HA 0.664 5.234 4.527 0.071 0.000 0.350 23 F C 0.820 176.712 175.800 0.154 0.000 1.114 23 F CA 0.251 58.357 58.000 0.177 0.000 1.135 23 F CB 1.654 40.773 39.000 0.198 0.000 1.120 23 F HN 0.580 nan 8.300 nan 0.000 0.495 24 S N 3.069 118.925 115.700 0.259 0.000 2.638 24 S HA 0.689 5.201 4.470 0.070 0.000 0.274 24 S C -1.395 173.294 174.600 0.149 0.000 1.157 24 S CA -0.884 57.423 58.200 0.179 0.000 0.826 24 S CB 1.557 64.836 63.200 0.131 0.000 1.139 24 S HN 0.592 nan 8.310 nan 0.000 0.474 25 K N 0.754 121.227 120.400 0.120 0.000 2.422 25 K HA 0.360 4.722 4.320 0.070 0.000 0.251 25 K C 0.657 177.301 176.600 0.074 0.000 0.933 25 K CA -0.408 55.935 56.287 0.093 0.000 0.798 25 K CB 1.692 34.245 32.500 0.090 0.000 1.238 25 K HN 0.773 nan 8.250 nan 0.000 0.428 26 T N -3.035 111.552 114.554 0.056 0.000 3.007 26 T HA -0.113 4.279 4.350 0.070 0.000 0.270 26 T C 1.259 175.980 174.700 0.034 0.000 1.107 26 T CA 1.407 63.532 62.100 0.042 0.000 1.118 26 T CB -0.355 68.531 68.868 0.031 0.000 0.889 26 T HN 0.690 nan 8.240 nan 0.000 0.506 27 T N -1.608 112.968 114.554 0.037 0.000 3.129 27 T HA 0.333 4.725 4.350 0.070 0.000 0.267 27 T C 0.496 175.215 174.700 0.031 0.000 1.018 27 T CA -0.607 61.509 62.100 0.027 0.000 0.903 27 T CB -0.872 68.011 68.868 0.025 0.000 1.067 27 T HN 0.443 nan 8.240 nan 0.000 0.549 28 C N 4.798 124.127 119.300 0.049 0.000 2.246 28 C HA 0.520 5.022 4.460 0.070 0.000 0.329 28 C C -0.959 174.046 174.990 0.025 0.000 1.221 28 C CA -2.153 56.906 59.018 0.069 0.000 1.697 28 C CB 0.932 28.747 27.740 0.125 0.000 2.312 28 C HN 0.287 nan 8.230 nan 0.000 0.509 29 P HA -0.083 nan 4.420 nan 0.000 0.226 29 P C 0.603 177.783 177.300 -0.200 0.000 1.153 29 P CA 1.398 64.397 63.100 -0.168 0.000 0.777 29 P CB 0.016 31.544 31.700 -0.287 0.000 0.794 30 Y N -0.612 119.698 120.300 0.017 0.000 2.337 30 Y HA -0.063 4.529 4.550 0.070 0.000 0.293 30 Y C 2.832 178.742 175.900 0.016 0.000 1.123 30 Y CA 0.664 58.773 58.100 0.015 0.000 1.201 30 Y CB -1.450 37.022 38.460 0.021 0.000 1.011 30 Y HN 0.011 nan 8.280 nan 0.000 0.545 31 C N 0.068 119.469 119.300 0.170 0.000 2.446 31 C HA -0.156 4.346 4.460 0.070 0.000 0.277 31 C C 2.737 177.765 174.990 0.064 0.000 1.275 31 C CA 1.207 60.293 59.018 0.113 0.000 1.727 31 C CB -0.794 27.013 27.740 0.112 0.000 2.010 31 C HN 0.521 nan 8.230 nan 0.000 0.486 32 K N 1.246 121.669 120.400 0.039 0.000 2.026 32 K HA -0.169 4.194 4.320 0.070 0.000 0.208 32 K C 2.037 178.636 176.600 -0.002 0.000 1.048 32 K CA 1.486 57.781 56.287 0.013 0.000 0.929 32 K CB -0.151 32.344 32.500 -0.008 0.000 0.713 32 K HN 0.384 nan 8.250 nan 0.000 0.439 33 K N 0.069 120.466 120.400 -0.005 0.000 2.063 33 K HA -0.137 4.225 4.320 0.070 0.000 0.208 33 K C 1.967 178.549 176.600 -0.030 0.000 1.048 33 K CA 1.611 57.890 56.287 -0.014 0.000 0.928 33 K CB -0.084 32.422 32.500 0.009 0.000 0.713 33 K HN 0.003 nan 8.250 nan 0.000 0.442 34 V N 1.515 121.423 119.914 -0.009 0.000 2.307 34 V HA -0.258 3.905 4.120 0.070 0.000 0.245 34 V C 2.007 178.053 176.094 -0.079 0.000 1.045 34 V CA 1.701 63.972 62.300 -0.048 0.000 1.024 34 V CB -0.340 31.471 31.823 -0.021 0.000 0.651 34 V HN 0.291 nan 8.190 nan 0.000 0.449 35 K N -0.169 120.212 120.400 -0.031 0.000 2.063 35 K HA -0.214 4.148 4.320 0.070 0.000 0.208 35 K C 1.919 178.513 176.600 -0.011 0.000 1.048 35 K CA 1.842 58.134 56.287 0.008 0.000 0.928 35 K CB -0.326 32.211 32.500 0.062 0.000 0.713 35 K HN 0.452 nan 8.250 nan 0.000 0.442 36 D N 0.331 120.708 120.400 -0.038 0.000 2.117 36 D HA -0.137 4.545 4.640 0.070 0.000 0.197 36 D C 1.964 178.185 176.300 -0.132 0.000 0.987 36 D CA 0.943 54.907 54.000 -0.059 0.000 0.829 36 D CB -0.303 40.465 40.800 -0.053 0.000 0.961 36 D HN -0.063 nan 8.370 nan 0.000 0.460 37 V N 1.140 120.922 119.914 -0.219 0.000 2.295 37 V HA -0.213 3.950 4.120 0.070 0.000 0.246 37 V C 2.641 178.535 176.094 -0.335 0.000 1.049 37 V CA 1.162 63.183 62.300 -0.464 0.000 1.024 37 V CB -0.444 31.066 31.823 -0.521 0.000 0.648 37 V HN 0.219 nan 8.190 nan 0.000 0.447 38 L N -0.117 121.001 121.223 -0.176 0.000 2.083 38 L HA -0.153 4.229 4.340 0.070 0.000 0.209 38 L C 2.679 179.554 176.870 0.009 0.000 1.083 38 L CA 1.567 56.362 54.840 -0.074 0.000 0.752 38 L CB -0.826 41.168 42.059 -0.109 0.000 0.899 38 L HN 0.384 nan 8.230 nan 0.000 0.433 39 A N -0.297 122.529 122.820 0.010 0.000 1.897 39 A HA -0.212 4.150 4.320 0.070 0.000 0.215 39 A C 2.252 179.841 177.584 0.009 0.000 1.181 39 A CA 1.412 53.464 52.037 0.025 0.000 0.620 39 A CB -0.409 18.604 19.000 0.023 0.000 0.821 39 A HN 0.407 nan 8.150 nan 0.000 0.443 40 E N -0.287 119.900 120.200 -0.021 0.000 2.153 40 E HA -0.101 4.291 4.350 0.070 0.000 0.194 40 E C 1.722 178.368 176.600 0.077 0.000 0.988 40 E CA 0.907 57.320 56.400 0.021 0.000 0.811 40 E CB -0.145 29.564 29.700 0.015 0.000 0.746 40 E HN 0.550 nan 8.360 nan 0.000 0.466 41 A N 0.396 123.257 122.820 0.068 0.000 2.275 41 A HA 0.079 4.441 4.320 0.070 0.000 0.212 41 A C 0.292 177.924 177.584 0.081 0.000 1.201 41 A CA 0.121 52.240 52.037 0.137 0.000 0.843 41 A CB -0.078 19.046 19.000 0.206 0.000 0.873 41 A HN 0.220 nan 8.150 nan 0.000 0.492 42 K N -0.645 119.788 120.400 0.055 0.000 3.148 42 K HA -0.161 4.201 4.320 0.070 0.000 0.267 42 K C -0.811 175.819 176.600 0.049 0.000 0.996 42 K CA 0.747 57.060 56.287 0.043 0.000 0.737 42 K CB -1.703 30.816 32.500 0.032 0.000 1.308 42 K HN 0.592 nan 8.250 nan 0.000 0.470 43 I N 1.728 122.340 120.570 0.071 0.000 2.307 43 I HA 0.106 4.318 4.170 0.070 0.000 0.289 43 I C 0.509 176.724 176.117 0.164 0.000 1.021 43 I CA -0.543 60.811 61.300 0.090 0.000 1.224 43 I CB 0.932 38.976 38.000 0.073 0.000 1.376 43 I HN 0.053 nan 8.210 nan 0.000 0.470 44 K N 5.680 126.139 120.400 0.100 0.000 2.185 44 K HA 0.514 4.876 4.320 0.070 0.000 0.271 44 K C -0.761 175.924 176.600 0.143 0.000 1.013 44 K CA -0.445 55.872 56.287 0.050 0.000 0.943 44 K CB 0.982 33.457 32.500 -0.043 0.000 0.998 44 K HN 0.668 nan 8.250 nan 0.000 0.468 45 H N -1.944 117.147 119.070 0.034 0.000 3.024 45 H HA 0.526 5.125 4.556 0.071 0.000 0.324 45 H C -1.645 173.773 175.328 0.149 0.000 1.347 45 H CA -1.180 54.916 56.048 0.080 0.000 1.182 45 H CB 0.720 30.516 29.762 0.056 0.000 1.889 45 H HN 0.587 nan 8.280 nan 0.000 0.528 46 A N 0.968 123.938 122.820 0.251 0.000 2.322 46 A HA 0.638 5.000 4.320 0.070 0.000 0.269 46 A C -0.422 177.258 177.584 0.161 0.000 1.094 46 A CA -0.031 52.113 52.037 0.179 0.000 0.807 46 A CB 0.443 19.450 19.000 0.012 0.000 1.047 46 A HN 0.724 nan 8.150 nan 0.000 0.487 47 T N 1.659 116.255 114.554 0.070 0.000 2.928 47 T HA 0.525 4.918 4.350 0.070 0.000 0.296 47 T C -0.732 173.949 174.700 -0.032 0.000 1.000 47 T CA 0.045 62.178 62.100 0.055 0.000 0.989 47 T CB 0.645 69.585 68.868 0.120 0.000 1.005 47 T HN 0.440 nan 8.240 nan 0.000 0.442 48 I N 3.091 123.601 120.570 -0.100 0.000 2.382 48 I HA 0.286 4.498 4.170 0.070 0.000 0.286 48 I C -0.029 176.120 176.117 0.053 0.000 1.002 48 I CA -0.769 60.508 61.300 -0.039 0.000 1.135 48 I CB 1.463 39.422 38.000 -0.069 0.000 1.288 48 I HN 0.435 nan 8.210 nan 0.000 0.448 49 E N 7.492 127.727 120.200 0.060 0.000 2.044 49 E HA 0.204 4.596 4.350 0.070 0.000 0.282 49 E C 0.760 177.407 176.600 0.078 0.000 1.031 49 E CA -0.248 56.197 56.400 0.075 0.000 0.824 49 E CB 1.692 31.422 29.700 0.051 0.000 1.076 49 E HN 0.643 nan 8.360 nan 0.000 0.395 50 L N 1.918 123.210 121.223 0.115 0.000 2.201 50 L HA -0.176 4.206 4.340 0.070 0.000 0.212 50 L C 1.794 178.697 176.870 0.056 0.000 1.105 50 L CA 0.957 55.861 54.840 0.106 0.000 0.775 50 L CB -0.259 41.889 42.059 0.149 0.000 0.913 50 L HN 0.425 nan 8.230 nan 0.000 0.440 51 D N -0.587 119.845 120.400 0.053 0.000 2.371 51 D HA -0.201 4.482 4.640 0.070 0.000 0.221 51 D C 1.615 177.924 176.300 0.015 0.000 0.986 51 D CA 0.703 54.722 54.000 0.032 0.000 0.899 51 D CB -0.099 40.722 40.800 0.036 0.000 0.902 51 D HN 0.429 nan 8.370 nan 0.000 0.530 52 Q N -0.299 119.509 119.800 0.012 0.000 2.360 52 Q HA 0.265 4.648 4.340 0.070 0.000 0.202 52 Q C 0.182 176.166 176.000 -0.028 0.000 0.915 52 Q CA 0.052 55.852 55.803 -0.006 0.000 0.943 52 Q CB 0.881 29.617 28.738 -0.003 0.000 1.064 52 Q HN 0.308 nan 8.270 nan 0.000 0.511 53 L N 0.109 121.312 121.223 -0.034 0.000 2.329 53 L HA 0.234 4.616 4.340 0.070 0.000 0.279 53 L C 1.293 178.124 176.870 -0.065 0.000 1.014 53 L CA -0.408 54.388 54.840 -0.073 0.000 0.814 53 L CB 1.711 43.702 42.059 -0.113 0.000 1.257 53 L HN 0.020 nan 8.230 nan 0.000 0.424 54 S N 0.504 116.157 115.700 -0.079 0.000 2.419 54 S HA -0.139 4.373 4.470 0.070 0.000 0.233 54 S C 1.027 175.591 174.600 -0.060 0.000 1.016 54 S CA 1.218 59.381 58.200 -0.061 0.000 0.974 54 S CB -0.339 62.823 63.200 -0.063 0.000 0.786 54 S HN 0.858 nan 8.310 nan 0.000 0.492 55 N N 0.914 119.562 118.700 -0.087 0.000 2.238 55 N HA 0.251 5.033 4.740 0.070 0.000 0.222 55 N C 1.294 176.776 175.510 -0.046 0.000 1.133 55 N CA 0.362 53.369 53.050 -0.072 0.000 0.854 55 N CB -0.665 37.760 38.487 -0.103 0.000 1.041 55 N HN 0.379 nan 8.380 nan 0.000 0.510 56 G N 0.617 109.399 108.800 -0.030 0.000 2.442 56 G HA2 -0.242 3.760 3.960 0.070 0.000 0.219 56 G HA3 -0.242 3.760 3.960 0.070 0.000 0.219 56 G C 1.441 176.361 174.900 0.035 0.000 1.141 56 G CA 0.840 45.948 45.100 0.013 0.000 0.763 56 G HN 0.397 nan 8.290 nan 0.000 0.554 57 S N 0.846 116.558 115.700 0.020 0.000 2.383 57 S HA 0.057 4.569 4.470 0.070 0.000 0.227 57 S C 2.747 177.362 174.600 0.025 0.000 1.026 57 S CA 1.047 59.261 58.200 0.024 0.000 0.981 57 S CB -0.262 62.946 63.200 0.014 0.000 0.818 57 S HN 0.572 nan 8.310 nan 0.000 0.472 58 A N 1.169 124.001 122.820 0.021 0.000 1.969 58 A HA 0.045 4.407 4.320 0.070 0.000 0.218 58 A C 1.999 179.613 177.584 0.051 0.000 1.169 58 A CA 0.856 52.910 52.037 0.028 0.000 0.635 58 A CB -0.594 18.419 19.000 0.020 0.000 0.810 58 A HN 0.476 nan 8.150 nan 0.000 0.445 59 I N -0.596 120.013 120.570 0.065 0.000 2.179 59 I HA -0.314 3.898 4.170 0.070 0.000 0.242 59 I C 2.753 178.903 176.117 0.056 0.000 1.088 59 I CA 1.458 62.822 61.300 0.106 0.000 1.357 59 I CB -0.411 37.694 38.000 0.175 0.000 1.051 59 I HN 0.402 nan 8.210 nan 0.000 0.409 60 Q N 0.672 120.502 119.800 0.050 0.000 2.112 60 Q HA -0.270 4.112 4.340 0.070 0.000 0.206 60 Q C 2.232 178.242 176.000 0.016 0.000 0.987 60 Q CA 1.705 57.526 55.803 0.031 0.000 0.858 60 Q CB -0.091 28.671 28.738 0.040 0.000 0.905 60 Q HN 0.470 nan 8.270 nan 0.000 0.420 61 K N -0.424 119.989 120.400 0.022 0.000 2.057 61 K HA -0.102 4.261 4.320 0.070 0.000 0.206 61 K C 2.156 178.769 176.600 0.022 0.000 1.050 61 K CA 1.163 57.459 56.287 0.015 0.000 0.935 61 K CB -0.090 32.419 32.500 0.015 0.000 0.715 61 K HN 0.206 nan 8.250 nan 0.000 0.439 62 C N 0.890 120.218 119.300 0.047 0.000 2.435 62 C HA -0.004 4.498 4.460 0.070 0.000 0.279 62 C C 2.403 177.482 174.990 0.149 0.000 1.321 62 C CA 0.372 59.444 59.018 0.089 0.000 1.752 62 C CB -0.751 27.068 27.740 0.132 0.000 1.959 62 C HN 0.424 nan 8.230 nan 0.000 0.500 63 L N 0.995 122.262 121.223 0.072 0.000 2.129 63 L HA -0.208 4.174 4.340 0.070 0.000 0.212 63 L C 2.758 179.700 176.870 0.120 0.000 1.087 63 L CA 1.585 56.467 54.840 0.071 0.000 0.757 63 L CB -0.558 41.443 42.059 -0.098 0.000 0.896 63 L HN 0.349 nan 8.230 nan 0.000 0.434 64 A N -1.189 121.640 122.820 0.015 0.000 2.070 64 A HA -0.186 4.176 4.320 0.070 0.000 0.220 64 A C 2.437 179.978 177.584 -0.073 0.000 1.159 64 A CA 1.813 53.819 52.037 -0.051 0.000 0.656 64 A CB -0.475 18.492 19.000 -0.057 0.000 0.800 64 A HN 0.383 nan 8.150 nan 0.000 0.453 65 S N -1.317 114.326 115.700 -0.095 0.000 2.469 65 S HA -0.032 4.481 4.470 0.070 0.000 0.238 65 S C 1.080 175.384 174.600 -0.493 0.000 0.998 65 S CA 1.288 59.284 58.200 -0.340 0.000 0.957 65 S CB -0.374 62.508 63.200 -0.531 0.000 0.764 65 S HN 0.672 nan 8.310 nan 0.000 0.514 66 F N 0.039 119.969 119.950 -0.033 0.000 2.680 66 F HA 0.198 4.768 4.527 0.071 0.000 0.290 66 F C 2.206 177.996 175.800 -0.016 0.000 1.114 66 F CA 0.354 58.389 58.000 0.059 0.000 1.333 66 F CB 0.147 39.256 39.000 0.181 0.000 1.091 66 F HN 0.172 nan 8.300 nan 0.000 0.606 67 S N -1.360 114.293 115.700 -0.077 0.000 2.604 67 S HA 0.207 4.720 4.470 0.070 0.000 0.235 67 S C 0.952 175.275 174.600 -0.462 0.000 1.043 67 S CA -0.169 57.621 58.200 -0.685 0.000 0.997 67 S CB 0.169 62.553 63.200 -1.359 0.000 0.956 67 S HN 0.222 nan 8.310 nan 0.000 0.535 68 K N 0.424 120.689 120.400 -0.225 0.000 3.529 68 K HA -0.184 4.178 4.320 0.070 0.000 0.313 68 K C 0.050 176.561 176.600 -0.148 0.000 1.316 68 K CA 1.419 57.618 56.287 -0.147 0.000 0.988 68 K CB -2.066 30.376 32.500 -0.096 0.000 1.252 68 K HN 0.814 nan 8.250 nan 0.000 0.438 69 I N -2.790 117.651 120.570 -0.216 0.000 2.910 69 I HA 0.359 4.572 4.170 0.070 0.000 0.310 69 I C 0.244 176.300 176.117 -0.102 0.000 1.043 69 I CA -0.750 60.463 61.300 -0.145 0.000 1.053 69 I CB 1.900 39.820 38.000 -0.134 0.000 1.242 69 I HN -0.065 nan 8.210 nan 0.000 0.452 70 E N 1.347 121.514 120.200 -0.054 0.000 2.758 70 E HA 0.141 4.533 4.350 0.070 0.000 0.215 70 E C -0.516 176.084 176.600 0.001 0.000 0.985 70 E CA -0.196 56.190 56.400 -0.023 0.000 1.102 70 E CB 0.996 30.687 29.700 -0.015 0.000 1.042 70 E HN 0.860 nan 8.360 nan 0.000 0.480 71 T N -1.592 112.962 114.554 0.001 0.000 2.952 71 T HA 0.590 4.983 4.350 0.070 0.000 0.286 71 T C 0.292 175.032 174.700 0.067 0.000 1.024 71 T CA -0.880 61.234 62.100 0.024 0.000 1.029 71 T CB 1.801 70.667 68.868 -0.004 0.000 1.094 71 T HN -0.065 nan 8.240 nan 0.000 0.515 72 V N -1.122 118.846 119.914 0.089 0.000 2.581 72 V HA 0.786 4.948 4.120 0.070 0.000 0.303 72 V C -2.629 173.539 176.094 0.123 0.000 1.041 72 V CA -2.544 59.838 62.300 0.137 0.000 0.907 72 V CB 0.966 32.880 31.823 0.153 0.000 0.994 72 V HN 0.905 nan 8.190 nan 0.000 0.442 73 P HA 0.459 nan 4.420 nan 0.000 0.279 73 P C -1.323 176.111 177.300 0.223 0.000 1.252 73 P CA -0.489 62.720 63.100 0.181 0.000 0.811 73 P CB 1.047 32.834 31.700 0.146 0.000 1.035 74 Q N 0.778 120.776 119.800 0.329 0.000 2.275 74 Q HA 0.489 4.871 4.340 0.070 0.000 0.266 74 Q C -0.798 175.482 176.000 0.467 0.000 1.002 74 Q CA -0.382 55.686 55.803 0.441 0.000 0.761 74 Q CB 2.501 31.529 28.738 0.482 0.000 1.255 74 Q HN 0.462 nan 8.270 nan 0.000 0.446 75 M N 3.230 122.944 119.600 0.191 0.000 2.238 75 M HA 0.543 5.065 4.480 0.070 0.000 0.350 75 M C -1.736 174.527 176.300 -0.063 0.000 1.138 75 M CA -0.386 54.990 55.300 0.127 0.000 1.040 75 M CB 0.792 33.392 32.600 0.000 0.000 1.639 75 M HN 0.526 nan 8.290 nan 0.000 0.451 76 F N 3.291 123.349 119.950 0.181 0.000 2.546 76 F HA 0.679 5.248 4.527 0.070 0.000 0.320 76 F C -0.622 175.233 175.800 0.092 0.000 1.076 76 F CA -0.838 57.259 58.000 0.162 0.000 0.928 76 F CB 2.108 41.243 39.000 0.225 0.000 1.189 76 F HN 0.167 nan 8.300 nan 0.000 0.465 77 V N 2.652 122.701 119.914 0.226 0.000 2.482 77 V HA 0.402 4.564 4.120 0.070 0.000 0.295 77 V C -0.225 175.966 176.094 0.162 0.000 1.026 77 V CA -1.292 61.097 62.300 0.149 0.000 0.856 77 V CB 1.495 33.350 31.823 0.053 0.000 1.001 77 V HN 0.745 nan 8.190 nan 0.000 0.424 78 R N 3.556 124.158 120.500 0.170 0.000 3.322 78 R HA -0.225 4.157 4.340 0.070 0.000 0.253 78 R C 1.178 177.577 176.300 0.166 0.000 0.987 78 R CA 0.788 56.985 56.100 0.162 0.000 0.666 78 R CB -1.476 28.905 30.300 0.135 0.000 1.072 78 R HN 1.597 nan 8.270 nan 0.000 0.447 79 G N -0.685 108.233 108.800 0.197 0.000 2.175 79 G HA2 -0.346 3.656 3.960 0.070 0.000 0.244 79 G HA3 -0.346 3.656 3.960 0.070 0.000 0.244 79 G C 0.017 175.110 174.900 0.322 0.000 0.982 79 G CA 0.457 45.682 45.100 0.208 0.000 0.641 79 G HN 0.360 nan 8.290 nan 0.000 0.527 80 K N 0.005 120.612 120.400 0.345 0.000 2.376 80 K HA 0.593 4.955 4.320 0.070 0.000 0.257 80 K C -0.470 176.274 176.600 0.240 0.000 0.939 80 K CA -1.196 55.262 56.287 0.284 0.000 0.809 80 K CB 0.978 33.562 32.500 0.140 0.000 1.121 80 K HN 0.079 nan 8.250 nan 0.000 0.425 81 F N 5.566 125.498 119.950 -0.031 0.000 2.538 81 F HA 0.066 4.635 4.527 0.070 0.000 0.371 81 F C 0.403 176.055 175.800 -0.247 0.000 1.087 81 F CA 0.054 57.724 58.000 -0.549 0.000 1.250 81 F CB 0.462 39.203 39.000 -0.432 0.000 1.110 81 F HN 0.530 nan 8.300 nan 0.000 0.570 82 I N 3.790 123.765 120.570 -0.991 0.000 4.032 82 I HA 0.368 4.580 4.170 0.070 0.000 0.313 82 I C 0.909 176.609 176.117 -0.696 0.000 1.272 82 I CA 0.782 61.737 61.300 -0.575 0.000 1.307 82 I CB -0.293 37.557 38.000 -0.250 0.000 1.155 82 I HN 0.715 nan 8.210 nan 0.000 0.431 83 G N 1.146 109.142 108.800 -1.341 0.000 2.347 83 G HA2 0.252 4.254 3.960 0.070 0.000 0.303 83 G HA3 0.252 4.254 3.960 0.070 0.000 0.303 83 G C -1.490 173.201 174.900 -0.348 0.000 1.481 83 G CA -0.442 44.164 45.100 -0.823 0.000 0.914 83 G HN 0.091 nan 8.290 nan 0.000 0.638 84 D N -0.749 119.638 120.400 -0.022 0.000 2.440 84 D HA 0.476 5.158 4.640 0.070 0.000 0.269 84 D C 2.033 178.315 176.300 -0.030 0.000 1.249 84 D CA 0.552 54.592 54.000 0.066 0.000 1.055 84 D CB 0.261 41.109 40.800 0.081 0.000 1.104 84 D HN 0.826 nan 8.370 nan 0.000 0.561 85 S N -1.243 114.449 115.700 -0.013 0.000 2.356 85 S HA -0.325 4.187 4.470 0.070 0.000 0.223 85 S C 1.919 176.499 174.600 -0.033 0.000 1.032 85 S CA 1.712 59.914 58.200 0.004 0.000 1.005 85 S CB -0.846 62.409 63.200 0.092 0.000 0.867 85 S HN 0.651 nan 8.310 nan 0.000 0.449 86 Q N 0.833 120.599 119.800 -0.056 0.000 2.096 86 Q HA -0.143 4.239 4.340 0.070 0.000 0.204 86 Q C 2.077 177.989 176.000 -0.147 0.000 0.982 86 Q CA 2.144 57.905 55.803 -0.070 0.000 0.850 86 Q CB -0.663 28.034 28.738 -0.069 0.000 0.901 86 Q HN 0.673 nan 8.270 nan 0.000 0.422 87 T N 0.073 114.499 114.554 -0.213 0.000 2.708 87 T HA -0.119 4.273 4.350 0.070 0.000 0.266 87 T C 1.836 176.164 174.700 -0.620 0.000 1.037 87 T CA 1.442 63.286 62.100 -0.427 0.000 1.146 87 T CB -0.243 68.389 68.868 -0.393 0.000 0.865 87 T HN 0.135 nan 8.240 nan 0.000 0.435 88 V N 1.249 120.974 119.914 -0.315 0.000 2.343 88 V HA -0.124 4.038 4.120 0.070 0.000 0.247 88 V C 2.445 178.515 176.094 -0.039 0.000 1.051 88 V CA 1.346 63.576 62.300 -0.116 0.000 1.036 88 V CB -0.622 31.181 31.823 -0.032 0.000 0.654 88 V HN 0.315 nan 8.190 nan 0.000 0.451 89 L N 0.063 121.257 121.223 -0.048 0.000 2.131 89 L HA -0.146 4.236 4.340 0.070 0.000 0.210 89 L C 2.474 179.369 176.870 0.043 0.000 1.092 89 L CA 1.775 56.638 54.840 0.039 0.000 0.759 89 L CB -0.827 41.248 42.059 0.028 0.000 0.903 89 L HN 0.260 nan 8.230 nan 0.000 0.435 90 K N -0.722 119.618 120.400 -0.100 0.000 2.026 90 K HA -0.223 4.139 4.320 0.070 0.000 0.208 90 K C 2.261 178.854 176.600 -0.012 0.000 1.048 90 K CA 1.758 57.979 56.287 -0.110 0.000 0.929 90 K CB -0.353 32.007 32.500 -0.234 0.000 0.713 90 K HN 0.225 nan 8.250 nan 0.000 0.439 91 Y N -0.115 120.202 120.300 0.029 0.000 2.181 91 Y HA -0.220 4.372 4.550 0.070 0.000 0.288 91 Y C 2.435 178.378 175.900 0.072 0.000 1.146 91 Y CA 1.119 59.235 58.100 0.028 0.000 1.164 91 Y CB -1.257 37.211 38.460 0.013 0.000 0.982 91 Y HN 0.181 nan 8.280 nan 0.000 0.515 92 Y N 1.148 121.522 120.300 0.123 0.000 2.089 92 Y HA -0.282 4.310 4.550 0.070 0.000 0.282 92 Y C 2.809 178.735 175.900 0.043 0.000 1.139 92 Y CA 1.837 59.977 58.100 0.066 0.000 1.123 92 Y CB -0.811 37.672 38.460 0.039 0.000 0.980 92 Y HN 0.168 nan 8.280 nan 0.000 0.493 93 S N -0.730 114.983 115.700 0.022 0.000 2.447 93 S HA -0.158 4.354 4.470 0.070 0.000 0.233 93 S C 1.475 176.034 174.600 -0.069 0.000 1.006 93 S CA 1.441 59.598 58.200 -0.071 0.000 0.957 93 S CB -0.670 62.532 63.200 0.004 0.000 0.773 93 S HN 0.561 nan 8.310 nan 0.000 0.507 94 N N 1.164 119.856 118.700 -0.014 0.000 2.336 94 N HA 0.132 4.915 4.740 0.070 0.000 0.189 94 N C -0.467 175.030 175.510 -0.022 0.000 1.113 94 N CA 0.346 53.393 53.050 -0.004 0.000 0.858 94 N CB 0.042 38.553 38.487 0.040 0.000 0.970 94 N HN 0.206 nan 8.380 nan 0.000 0.471 95 D N -0.152 120.214 120.400 -0.056 0.000 2.800 95 D HA -0.182 4.500 4.640 0.070 0.000 0.232 95 D C 0.063 176.352 176.300 -0.018 0.000 1.137 95 D CA 0.735 54.694 54.000 -0.067 0.000 0.718 95 D CB -0.867 39.884 40.800 -0.081 0.000 1.084 95 D HN 0.535 nan 8.370 nan 0.000 0.432 96 E N -0.712 119.503 120.200 0.024 0.000 2.389 96 E HA 0.011 4.403 4.350 0.070 0.000 0.199 96 E C 1.965 178.535 176.600 -0.050 0.000 0.978 96 E CA -0.307 56.089 56.400 -0.006 0.000 0.912 96 E CB 0.333 30.052 29.700 0.032 0.000 0.907 96 E HN 0.147 nan 8.360 nan 0.000 0.494 97 L N 1.443 122.690 121.223 0.040 0.000 2.042 97 L HA -0.166 4.216 4.340 0.070 0.000 0.210 97 L C 2.214 179.077 176.870 -0.012 0.000 1.076 97 L CA 2.057 56.917 54.840 0.035 0.000 0.749 97 L CB -0.609 41.572 42.059 0.203 0.000 0.893 97 L HN 0.076 nan 8.230 nan 0.000 0.432 98 A N -0.655 122.174 122.820 0.014 0.000 1.883 98 A HA -0.137 4.225 4.320 0.070 0.000 0.217 98 A C 2.365 179.928 177.584 -0.034 0.000 1.186 98 A CA 1.779 53.817 52.037 0.001 0.000 0.624 98 A CB -1.627 17.378 19.000 0.009 0.000 0.822 98 A HN 0.536 nan 8.150 nan 0.000 0.444 99 G N 0.048 108.815 108.800 -0.054 0.000 2.446 99 G HA2 -0.169 3.833 3.960 0.070 0.000 0.217 99 G HA3 -0.169 3.833 3.960 0.070 0.000 0.217 99 G C 1.378 176.218 174.900 -0.101 0.000 1.168 99 G CA 1.168 46.224 45.100 -0.072 0.000 0.771 99 G HN 0.353 nan 8.290 nan 0.000 0.551 100 I N 1.654 122.130 120.570 -0.156 0.000 2.163 100 I HA -0.158 4.054 4.170 0.070 0.000 0.243 100 I C 3.143 179.186 176.117 -0.123 0.000 1.085 100 I CA 1.387 62.562 61.300 -0.207 0.000 1.347 100 I CB -1.352 36.405 38.000 -0.405 0.000 1.044 100 I HN 0.234 nan 8.210 nan 0.000 0.408 101 V N -1.801 118.063 119.914 -0.083 0.000 2.871 101 V HA -0.056 4.106 4.120 0.070 0.000 0.256 101 V C 1.890 177.970 176.094 -0.022 0.000 1.082 101 V CA 1.671 63.950 62.300 -0.035 0.000 1.105 101 V CB -1.244 30.574 31.823 -0.008 0.000 0.713 101 V HN 0.434 nan 8.190 nan 0.000 0.473 102 N N 0.582 119.262 118.700 -0.034 0.000 2.457 102 N HA -0.076 4.707 4.740 0.070 0.000 0.180 102 N C 0.731 176.216 175.510 -0.041 0.000 1.050 102 N CA 0.061 53.091 53.050 -0.033 0.000 0.906 102 N CB 0.181 38.646 38.487 -0.037 0.000 0.968 102 N HN 0.649 nan 8.380 nan 0.000 0.445 103 E N 0.726 120.897 120.200 -0.048 0.000 2.324 103 E HA 0.102 4.494 4.350 0.070 0.000 0.271 103 E C -1.343 175.236 176.600 -0.034 0.000 1.028 103 E CA 0.090 56.459 56.400 -0.052 0.000 0.890 103 E CB 0.766 30.427 29.700 -0.065 0.000 1.004 103 E HN 0.045 nan 8.360 nan 0.000 0.431 104 S N 3.255 118.926 115.700 -0.048 0.000 2.537 104 S HA 0.199 4.711 4.470 0.070 0.000 0.271 104 S C 0.272 174.800 174.600 -0.119 0.000 1.148 104 S CA -0.770 57.406 58.200 -0.041 0.000 0.868 104 S CB 1.146 64.354 63.200 0.013 0.000 1.115 104 S HN 0.635 nan 8.310 nan 0.000 0.461 105 K N 1.656 121.922 120.400 -0.224 0.000 2.147 105 K HA -0.013 4.349 4.320 0.070 0.000 0.205 105 K C -0.494 175.758 176.600 -0.580 0.000 1.049 105 K CA 1.419 57.412 56.287 -0.489 0.000 0.936 105 K CB -0.063 31.966 32.500 -0.784 0.000 0.722 105 K HN 0.631 nan 8.250 nan 0.000 0.446 106 Y N 0.075 120.351 120.300 -0.040 0.000 2.567 106 Y HA 0.158 4.751 4.550 0.071 0.000 0.333 106 Y C 0.933 176.782 175.900 -0.084 0.000 1.106 106 Y CA -1.229 56.852 58.100 -0.031 0.000 1.157 106 Y CB 1.046 39.522 38.460 0.027 0.000 1.277 106 Y HN -0.118 nan 8.280 nan 0.000 0.490 107 D N 0.130 120.557 120.400 0.046 0.000 2.123 107 D HA -0.160 4.522 4.640 0.070 0.000 0.196 107 D C -0.501 175.447 176.300 -0.587 0.000 0.992 107 D CA 2.023 55.847 54.000 -0.294 0.000 0.833 107 D CB -0.039 40.570 40.800 -0.319 0.000 0.954 107 D HN 0.398 nan 8.370 nan 0.000 0.455 108 Y N -0.170 120.207 120.300 0.127 0.000 2.545 108 Y HA 0.209 4.801 4.550 0.071 0.000 0.348 108 Y C 0.964 176.928 175.900 0.106 0.000 1.002 108 Y CA -1.059 57.092 58.100 0.084 0.000 1.039 108 Y CB 1.556 40.047 38.460 0.053 0.000 1.271 108 Y HN -0.327 nan 8.280 nan 0.000 0.467 109 D N 0.890 121.424 120.400 0.224 0.000 2.183 109 D HA -0.032 4.651 4.640 0.070 0.000 0.203 109 D C -0.246 176.191 176.300 0.230 0.000 0.969 109 D CA 1.452 55.568 54.000 0.192 0.000 0.842 109 D CB 0.567 41.403 40.800 0.061 0.000 0.957 109 D HN 0.208 nan 8.370 nan 0.000 0.484 110 L N 0.664 121.994 121.223 0.178 0.000 2.470 110 L HA 0.396 4.778 4.340 0.070 0.000 0.268 110 L C -1.551 175.363 176.870 0.074 0.000 0.964 110 L CA -0.513 54.426 54.840 0.165 0.000 0.839 110 L CB 2.099 44.248 42.059 0.150 0.000 1.276 110 L HN -0.231 nan 8.230 nan 0.000 0.403 111 I N 5.643 126.248 120.570 0.059 0.000 2.362 111 I HA 0.461 4.673 4.170 0.070 0.000 0.289 111 I C -0.706 175.415 176.117 0.006 0.000 0.994 111 I CA -0.942 60.342 61.300 -0.028 0.000 1.158 111 I CB 1.894 39.886 38.000 -0.013 0.000 1.315 111 I HN 0.253 nan 8.210 nan 0.000 0.451 112 V N 7.556 127.460 119.914 -0.018 0.000 2.370 112 V HA 0.382 4.544 4.120 0.070 0.000 0.279 112 V C 0.180 176.278 176.094 0.007 0.000 1.029 112 V CA -0.418 61.889 62.300 0.012 0.000 0.870 112 V CB 1.459 33.290 31.823 0.012 0.000 0.984 112 V HN 0.479 nan 8.190 nan 0.000 0.451 113 I N 4.905 125.488 120.570 0.023 0.000 2.306 113 I HA 0.706 4.919 4.170 0.070 0.000 0.288 113 I C 0.711 176.851 176.117 0.039 0.000 1.036 113 I CA -0.005 61.311 61.300 0.027 0.000 1.221 113 I CB 1.009 39.025 38.000 0.026 0.000 1.385 113 I HN 0.860 nan 8.210 nan 0.000 0.472 114 G N 3.593 112.421 108.800 0.047 0.000 3.187 114 G HA2 0.113 4.116 3.960 0.070 0.000 0.682 114 G HA3 0.113 4.116 3.960 0.070 0.000 0.682 114 G C -0.267 174.654 174.900 0.034 0.000 1.266 114 G CA -0.574 44.556 45.100 0.049 0.000 0.902 114 G HN 0.906 nan 8.290 nan 0.000 0.589 115 G N 0.669 109.490 108.800 0.036 0.000 4.873 115 G HA2 0.720 4.722 3.960 0.070 0.000 0.314 115 G HA3 0.720 4.722 3.960 0.070 0.000 0.314 115 G C 0.685 175.539 174.900 -0.078 0.000 1.426 115 G CA 0.827 45.917 45.100 -0.016 0.000 1.136 115 G HN 1.264 nan 8.290 nan 0.000 0.589 116 G N 0.154 108.915 108.800 -0.066 0.000 2.890 116 G HA2 0.411 4.413 3.960 0.070 0.000 0.189 116 G HA3 0.411 4.413 3.960 0.070 0.000 0.189 116 G C 1.209 176.020 174.900 -0.148 0.000 1.342 116 G CA 0.350 45.393 45.100 -0.094 0.000 1.026 116 G HN 0.186 nan 8.290 nan 0.000 0.579 117 S N -0.155 115.481 115.700 -0.107 0.000 2.353 117 S HA -0.122 4.391 4.470 0.070 0.000 0.222 117 S C 2.442 177.003 174.600 -0.064 0.000 1.035 117 S CA 1.789 59.932 58.200 -0.096 0.000 1.025 117 S CB -0.735 62.437 63.200 -0.047 0.000 0.902 117 S HN 0.761 nan 8.310 nan 0.000 0.440 118 G N 1.072 109.854 108.800 -0.030 0.000 2.414 118 G HA2 0.007 4.009 3.960 0.070 0.000 0.215 118 G HA3 0.007 4.009 3.960 0.070 0.000 0.215 118 G C 1.474 176.369 174.900 -0.008 0.000 1.188 118 G CA 0.869 45.966 45.100 -0.004 0.000 0.783 118 G HN 0.563 nan 8.290 nan 0.000 0.537 119 G N 0.870 109.659 108.800 -0.017 0.000 2.421 119 G HA2 -0.154 3.848 3.960 0.070 0.000 0.216 119 G HA3 -0.154 3.848 3.960 0.070 0.000 0.216 119 G C 1.832 176.710 174.900 -0.036 0.000 1.171 119 G CA 0.804 45.896 45.100 -0.013 0.000 0.775 119 G HN 0.409 nan 8.290 nan 0.000 0.543 120 L N 0.581 121.748 121.223 -0.095 0.000 2.056 120 L HA -0.013 4.369 4.340 0.070 0.000 0.207 120 L C 3.428 180.266 176.870 -0.053 0.000 1.078 120 L CA 0.920 55.687 54.840 -0.123 0.000 0.749 120 L CB -0.457 41.420 42.059 -0.302 0.000 0.901 120 L HN 0.306 nan 8.230 nan 0.000 0.433 121 A N 0.278 123.075 122.820 -0.038 0.000 1.865 121 A HA -0.215 4.147 4.320 0.070 0.000 0.217 121 A C 2.554 180.158 177.584 0.033 0.000 1.191 121 A CA 1.957 53.998 52.037 0.007 0.000 0.623 121 A CB -0.860 18.144 19.000 0.007 0.000 0.826 121 A HN 0.393 nan 8.150 nan 0.000 0.444 122 A N -0.587 122.254 122.820 0.036 0.000 1.883 122 A HA 0.082 4.444 4.320 0.070 0.000 0.217 122 A C 2.465 180.091 177.584 0.070 0.000 1.186 122 A CA 2.166 54.243 52.037 0.067 0.000 0.624 122 A CB -1.523 17.515 19.000 0.063 0.000 0.822 122 A HN 0.791 nan 8.150 nan 0.000 0.444 123 G N -0.335 108.484 108.800 0.033 0.000 2.433 123 G HA2 -0.245 3.757 3.960 0.070 0.000 0.216 123 G HA3 -0.245 3.757 3.960 0.070 0.000 0.216 123 G C 1.681 176.581 174.900 -0.001 0.000 1.186 123 G CA 1.114 46.222 45.100 0.013 0.000 0.779 123 G HN 0.573 nan 8.290 nan 0.000 0.543 124 K N 0.140 120.537 120.400 -0.004 0.000 2.057 124 K HA -0.089 4.274 4.320 0.070 0.000 0.207 124 K C 2.391 178.974 176.600 -0.028 0.000 1.049 124 K CA 1.376 57.651 56.287 -0.020 0.000 0.931 124 K CB -0.107 32.389 32.500 -0.006 0.000 0.714 124 K HN 0.303 nan 8.250 nan 0.000 0.440 125 E N 1.096 121.309 120.200 0.022 0.000 2.072 125 E HA -0.130 4.262 4.350 0.070 0.000 0.191 125 E C 1.795 178.460 176.600 0.108 0.000 0.985 125 E CA 1.319 57.755 56.400 0.059 0.000 0.801 125 E CB -0.107 29.683 29.700 0.151 0.000 0.750 125 E HN 0.287 nan 8.360 nan 0.000 0.452 126 A N 0.854 123.758 122.820 0.140 0.000 1.902 126 A HA -0.080 4.282 4.320 0.070 0.000 0.217 126 A C 2.458 179.993 177.584 -0.083 0.000 1.181 126 A CA 2.020 54.130 52.037 0.121 0.000 0.623 126 A CB -1.098 17.923 19.000 0.034 0.000 0.818 126 A HN 0.389 nan 8.150 nan 0.000 0.443 127 A N -0.083 122.672 122.820 -0.109 0.000 1.940 127 A HA -0.216 4.146 4.320 0.070 0.000 0.219 127 A C 2.059 179.534 177.584 -0.181 0.000 1.176 127 A CA 1.912 53.870 52.037 -0.132 0.000 0.631 127 A CB -0.503 18.441 19.000 -0.093 0.000 0.814 127 A HN 0.569 nan 8.150 nan 0.000 0.446 128 K N -1.507 118.721 120.400 -0.287 0.000 2.160 128 K HA -0.179 4.183 4.320 0.070 0.000 0.206 128 K C 0.537 176.780 176.600 -0.595 0.000 1.047 128 K CA 1.649 57.641 56.287 -0.492 0.000 0.930 128 K CB -0.303 31.777 32.500 -0.701 0.000 0.720 128 K HN 0.726 nan 8.250 nan 0.000 0.450 129 Y N -0.262 120.003 120.300 -0.059 0.000 2.583 129 Y HA 0.239 4.831 4.550 0.070 0.000 0.294 129 Y C 1.227 177.100 175.900 -0.046 0.000 1.170 129 Y CA -0.044 58.031 58.100 -0.042 0.000 1.265 129 Y CB 0.360 38.838 38.460 0.030 0.000 1.119 129 Y HN 0.185 nan 8.280 nan 0.000 0.522 130 G N 0.009 108.800 108.800 -0.016 0.000 2.159 130 G HA2 -0.237 3.765 3.960 0.070 0.000 0.256 130 G HA3 -0.237 3.765 3.960 0.070 0.000 0.256 130 G C 0.388 175.247 174.900 -0.069 0.000 0.977 130 G CA -0.075 45.019 45.100 -0.010 0.000 0.652 130 G HN 0.692 nan 8.290 nan 0.000 0.531 131 A N 0.344 123.042 122.820 -0.203 0.000 2.450 131 A HA 0.570 4.932 4.320 0.070 0.000 0.255 131 A C 0.701 178.172 177.584 -0.188 0.000 1.096 131 A CA 0.146 51.958 52.037 -0.376 0.000 0.778 131 A CB 0.296 18.649 19.000 -1.078 0.000 1.031 131 A HN 0.403 nan 8.150 nan 0.000 0.494 132 K N 2.453 122.810 120.400 -0.072 0.000 2.338 132 K HA 0.279 4.642 4.320 0.070 0.000 0.290 132 K C -0.553 176.138 176.600 0.152 0.000 1.069 132 K CA 0.384 56.709 56.287 0.063 0.000 0.941 132 K CB 0.443 32.995 32.500 0.086 0.000 1.023 132 K HN 0.673 nan 8.250 nan 0.000 0.477 133 T N 1.414 116.032 114.554 0.108 0.000 2.841 133 T HA 0.520 4.912 4.350 0.070 0.000 0.283 133 T C -0.831 173.791 174.700 -0.131 0.000 1.000 133 T CA -0.755 61.342 62.100 -0.006 0.000 0.977 133 T CB 1.730 70.564 68.868 -0.058 0.000 0.979 133 T HN 0.597 nan 8.240 nan 0.000 0.446 134 A N 2.446 125.041 122.820 -0.375 0.000 2.355 134 A HA 0.803 5.166 4.320 0.070 0.000 0.317 134 A C -0.787 176.666 177.584 -0.218 0.000 1.094 134 A CA -0.653 51.094 52.037 -0.482 0.000 0.764 134 A CB 1.150 19.495 19.000 -1.092 0.000 1.230 134 A HN 0.666 nan 8.150 nan 0.000 0.448 135 V N 3.585 123.446 119.914 -0.088 0.000 2.409 135 V HA 0.383 4.546 4.120 0.070 0.000 0.291 135 V C -0.408 175.723 176.094 0.061 0.000 1.020 135 V CA -0.275 62.032 62.300 0.011 0.000 0.848 135 V CB 1.241 33.103 31.823 0.064 0.000 0.990 135 V HN 0.745 nan 8.190 nan 0.000 0.430 136 L N 4.280 125.520 121.223 0.028 0.000 2.282 136 L HA 0.686 5.068 4.340 0.070 0.000 0.288 136 L C -0.735 176.197 176.870 0.103 0.000 1.033 136 L CA -0.261 54.594 54.840 0.026 0.000 0.807 136 L CB 1.519 43.570 42.059 -0.012 0.000 1.209 136 L HN 0.577 nan 8.230 nan 0.000 0.423 137 D N 1.642 122.142 120.400 0.167 0.000 2.819 137 D HA 0.527 5.209 4.640 0.070 0.000 0.232 137 D C -1.736 174.686 176.300 0.204 0.000 1.160 137 D CA -0.216 53.902 54.000 0.196 0.000 0.858 137 D CB 2.099 43.049 40.800 0.251 0.000 1.610 137 D HN 0.339 nan 8.370 nan 0.000 0.481 138 Y N 2.737 123.044 120.300 0.010 0.000 2.479 138 Y HA 0.530 5.123 4.550 0.071 0.000 0.338 138 Y C -2.046 173.802 175.900 -0.086 0.000 1.055 138 Y CA -0.823 57.253 58.100 -0.039 0.000 1.023 138 Y CB 1.502 39.933 38.460 -0.048 0.000 1.287 138 Y HN 0.196 nan 8.280 nan 0.000 0.447 139 V N 6.136 125.526 119.914 -0.874 0.000 2.293 139 V HA 0.249 4.411 4.120 0.070 0.000 0.275 139 V C -0.053 175.282 176.094 -1.265 0.000 1.021 139 V CA -0.840 60.882 62.300 -0.964 0.000 0.815 139 V CB 1.075 32.303 31.823 -0.993 0.000 1.025 139 V HN 0.813 nan 8.190 nan 0.000 0.448 140 E N 6.532 126.095 120.200 -1.061 0.000 2.415 140 E HA 0.160 4.552 4.350 0.070 0.000 0.263 140 E C -2.294 174.058 176.600 -0.414 0.000 0.995 140 E CA -1.370 54.667 56.400 -0.604 0.000 0.915 140 E CB 0.942 30.530 29.700 -0.187 0.000 0.951 140 E HN 0.420 nan 8.360 nan 0.000 0.449 141 P HA 0.005 nan 4.420 nan 0.000 0.271 141 P C -0.538 176.730 177.300 -0.053 0.000 1.218 141 P CA -0.265 62.735 63.100 -0.167 0.000 0.780 141 P CB 0.750 32.407 31.700 -0.072 0.000 0.901 142 T N 0.173 114.745 114.554 0.031 0.000 2.748 142 T HA 0.133 4.525 4.350 0.070 0.000 0.304 142 T C -1.649 173.103 174.700 0.087 0.000 1.041 142 T CA -1.140 61.035 62.100 0.125 0.000 1.033 142 T CB -0.490 68.513 68.868 0.226 0.000 0.995 142 T HN 0.185 nan 8.240 nan 0.000 0.536 143 P HA -0.055 nan 4.420 nan 0.000 0.217 143 P C 1.420 178.749 177.300 0.047 0.000 1.148 143 P CA 1.102 64.212 63.100 0.017 0.000 0.828 143 P CB -0.321 31.343 31.700 -0.060 0.000 0.783 144 I N -6.117 114.512 120.570 0.099 0.000 3.684 144 I HA 0.391 4.604 4.170 0.070 0.000 0.304 144 I C 1.159 177.337 176.117 0.102 0.000 1.278 144 I CA 0.621 61.986 61.300 0.108 0.000 1.272 144 I CB -0.629 37.461 38.000 0.149 0.000 1.029 144 I HN 0.054 nan 8.210 nan 0.000 0.458 145 G N 1.068 109.921 108.800 0.088 0.000 2.163 145 G HA2 -0.222 3.780 3.960 0.070 0.000 0.213 145 G HA3 -0.222 3.780 3.960 0.070 0.000 0.213 145 G C 0.220 175.169 174.900 0.082 0.000 0.991 145 G CA 0.093 45.234 45.100 0.069 0.000 0.653 145 G HN 0.424 nan 8.290 nan 0.000 0.518 146 T N 1.344 115.977 114.554 0.133 0.000 2.888 146 T HA 0.518 4.911 4.350 0.070 0.000 0.301 146 T C 0.306 175.072 174.700 0.111 0.000 1.001 146 T CA 1.237 63.457 62.100 0.199 0.000 1.147 146 T CB 1.822 70.882 68.868 0.320 0.000 0.931 146 T HN 0.423 nan 8.240 nan 0.000 0.541 147 T N 2.136 116.747 114.554 0.096 0.000 2.841 147 T HA 0.733 5.125 4.350 0.070 0.000 0.296 147 T C -1.854 172.906 174.700 0.101 0.000 1.166 147 T CA -0.822 61.150 62.100 -0.214 0.000 1.007 147 T CB 0.972 69.714 68.868 -0.210 0.000 1.253 147 T HN 0.815 nan 8.240 nan 0.000 0.511 148 W N -0.370 120.937 121.300 0.012 0.000 2.895 148 W HA 0.760 5.464 4.660 0.075 0.000 0.377 148 W C -0.292 176.242 176.519 0.025 0.000 1.191 148 W CA -0.866 56.494 57.345 0.025 0.000 1.179 148 W CB 0.045 29.521 29.460 0.028 0.000 1.469 148 W HN 0.889 nan 8.180 nan 0.000 0.577 149 G N 0.265 109.261 108.800 0.327 0.000 2.543 149 G HA2 0.507 4.509 3.960 0.070 0.000 0.267 149 G HA3 0.507 4.509 3.960 0.070 0.000 0.267 149 G C -1.221 173.810 174.900 0.218 0.000 1.406 149 G CA -1.120 44.103 45.100 0.204 0.000 1.048 149 G HN 0.799 nan 8.290 nan 0.000 0.548 150 L N 0.154 121.453 121.223 0.127 0.000 2.490 150 L HA 0.457 4.839 4.340 0.070 0.000 0.274 150 L C 1.310 178.209 176.870 0.048 0.000 1.201 150 L CA 2.114 56.979 54.840 0.041 0.000 0.869 150 L CB 0.961 42.938 42.059 -0.137 0.000 1.123 150 L HN 1.131 nan 8.230 nan 0.000 0.484 151 G N 1.557 110.322 108.800 -0.058 0.000 2.738 151 G HA2 0.311 4.314 3.960 0.070 0.000 0.195 151 G HA3 0.311 4.314 3.960 0.070 0.000 0.195 151 G C 0.666 175.501 174.900 -0.109 0.000 1.001 151 G CA 0.005 44.993 45.100 -0.185 0.000 0.759 151 G HN 1.764 nan 8.290 nan 0.000 0.494 152 G N -1.011 107.812 108.800 0.038 0.000 2.627 152 G HA2 0.117 4.119 3.960 0.070 0.000 0.214 152 G HA3 0.117 4.119 3.960 0.070 0.000 0.214 152 G C 0.770 175.700 174.900 0.049 0.000 1.331 152 G CA 0.623 45.767 45.100 0.073 0.000 0.891 152 G HN 1.088 nan 8.290 nan 0.000 0.539 153 T N -0.308 114.264 114.554 0.029 0.000 2.674 153 T HA -0.220 4.173 4.350 0.070 0.000 0.265 153 T C 2.579 177.194 174.700 -0.142 0.000 1.039 153 T CA 3.122 65.193 62.100 -0.049 0.000 1.150 153 T CB -0.733 68.135 68.868 0.000 0.000 0.864 153 T HN 1.369 nan 8.240 nan 0.000 0.427 154 C N 1.379 120.618 119.300 -0.102 0.000 2.413 154 C HA -0.072 4.430 4.460 0.070 0.000 0.277 154 C C 2.713 177.609 174.990 -0.156 0.000 1.228 154 C CA 0.758 59.701 59.018 -0.125 0.000 1.731 154 C CB -1.302 26.392 27.740 -0.076 0.000 2.042 154 C HN 0.370 nan 8.230 nan 0.000 0.468 155 V N 2.221 122.072 119.914 -0.105 0.000 2.287 155 V HA -0.200 3.962 4.120 0.070 0.000 0.248 155 V C 2.410 178.401 176.094 -0.171 0.000 1.053 155 V CA 2.614 64.866 62.300 -0.080 0.000 1.027 155 V CB -0.703 31.135 31.823 0.025 0.000 0.646 155 V HN 0.642 nan 8.190 nan 0.000 0.447 156 N N -0.158 118.391 118.700 -0.253 0.000 2.436 156 N HA 0.024 4.806 4.740 0.070 0.000 0.178 156 N C 1.073 176.257 175.510 -0.544 0.000 1.026 156 N CA 1.571 54.381 53.050 -0.399 0.000 0.880 156 N CB 0.947 39.068 38.487 -0.610 0.000 1.061 156 N HN 0.536 nan 8.380 nan 0.000 0.434 157 V N -2.752 116.812 119.914 -0.582 0.000 2.967 157 V HA 0.696 4.858 4.120 0.070 0.000 0.364 157 V C 0.370 176.284 176.094 -0.300 0.000 1.373 157 V CA -0.325 61.715 62.300 -0.434 0.000 1.193 157 V CB 0.527 31.978 31.823 -0.620 0.000 1.236 157 V HN 0.166 nan 8.190 nan 0.000 0.582 158 G N -0.357 108.169 108.800 -0.457 0.000 3.321 158 G HA2 0.216 4.218 3.960 0.070 0.000 0.169 158 G HA3 0.216 4.218 3.960 0.070 0.000 0.169 158 G C 0.815 175.484 174.900 -0.384 0.000 1.153 158 G CA 0.629 45.541 45.100 -0.314 0.000 1.007 158 G HN 0.227 nan 8.290 nan 0.000 0.668 159 C N 1.023 120.179 119.300 -0.239 0.000 2.363 159 C HA -0.094 4.408 4.460 0.070 0.000 0.274 159 C C 2.762 177.582 174.990 -0.284 0.000 1.183 159 C CA 0.775 59.664 59.018 -0.215 0.000 1.771 159 C CB -1.337 26.322 27.740 -0.135 0.000 2.059 159 C HN 0.424 nan 8.230 nan 0.000 0.455 160 I N 2.283 122.694 120.570 -0.264 0.000 2.090 160 I HA -0.102 4.110 4.170 0.070 0.000 0.236 160 I C 0.135 176.062 176.117 -0.316 0.000 1.064 160 I CA 1.871 63.035 61.300 -0.226 0.000 1.324 160 I CB -2.811 35.115 38.000 -0.123 0.000 1.044 160 I HN 0.234 nan 8.210 nan 0.000 0.399 161 P HA -0.183 nan 4.420 nan 0.000 0.218 161 P C 1.634 178.563 177.300 -0.618 0.000 1.149 161 P CA 1.458 64.221 63.100 -0.562 0.000 0.817 161 P CB -0.155 31.076 31.700 -0.781 0.000 0.785 162 K N 1.140 121.089 120.400 -0.752 0.000 2.032 162 K HA -0.200 4.162 4.320 0.070 0.000 0.209 162 K C 2.096 178.579 176.600 -0.196 0.000 1.048 162 K CA 1.877 57.999 56.287 -0.275 0.000 0.927 162 K CB -0.478 31.956 32.500 -0.111 0.000 0.712 162 K HN -0.112 nan 8.250 nan 0.000 0.441 163 K N 1.068 121.302 120.400 -0.276 0.000 2.103 163 K HA 0.011 4.373 4.320 0.070 0.000 0.204 163 K C 2.255 178.745 176.600 -0.183 0.000 1.052 163 K CA 1.001 57.125 56.287 -0.273 0.000 0.945 163 K CB -0.302 31.938 32.500 -0.434 0.000 0.722 163 K HN 0.201 nan 8.250 nan 0.000 0.443 164 L N -0.109 120.976 121.223 -0.230 0.000 2.093 164 L HA -0.111 4.271 4.340 0.070 0.000 0.208 164 L C 2.456 179.184 176.870 -0.236 0.000 1.085 164 L CA 1.274 55.985 54.840 -0.214 0.000 0.755 164 L CB -0.321 41.611 42.059 -0.211 0.000 0.904 164 L HN 0.228 nan 8.230 nan 0.000 0.435 165 M N -1.531 117.857 119.600 -0.354 0.000 2.254 165 M HA -0.182 4.340 4.480 0.070 0.000 0.265 165 M C 2.311 178.403 176.300 -0.345 0.000 1.066 165 M CA 1.227 56.193 55.300 -0.557 0.000 1.123 165 M CB -0.574 31.268 32.600 -1.264 0.000 1.388 165 M HN 0.258 nan 8.290 nan 0.000 0.425 166 H N 0.659 119.579 119.070 -0.251 0.000 2.352 166 H HA -0.214 4.379 4.556 0.061 0.000 0.299 166 H C 2.027 177.365 175.328 0.015 0.000 1.097 166 H CA 2.326 58.396 56.048 0.037 0.000 1.311 166 H CB -0.099 29.714 29.762 0.085 0.000 1.377 166 H HN 0.296 nan 8.280 nan 0.000 0.504 167 Q N 0.410 120.124 119.800 -0.144 0.000 2.050 167 Q HA -0.052 4.330 4.340 0.070 0.000 0.202 167 Q C 2.448 178.363 176.000 -0.142 0.000 0.980 167 Q CA 2.023 57.716 55.803 -0.182 0.000 0.840 167 Q CB -0.804 27.849 28.738 -0.143 0.000 0.898 167 Q HN 0.524 nan 8.270 nan 0.000 0.424 168 A N 0.065 122.809 122.820 -0.126 0.000 1.917 168 A HA -0.140 4.222 4.320 0.070 0.000 0.219 168 A C 2.316 179.832 177.584 -0.113 0.000 1.182 168 A CA 1.921 53.895 52.037 -0.105 0.000 0.633 168 A CB -1.606 17.333 19.000 -0.102 0.000 0.819 168 A HN 0.590 nan 8.150 nan 0.000 0.448 169 G N -0.272 108.494 108.800 -0.056 0.000 2.433 169 G HA2 -0.188 3.814 3.960 0.070 0.000 0.216 169 G HA3 -0.188 3.814 3.960 0.070 0.000 0.216 169 G C 1.546 176.414 174.900 -0.054 0.000 1.186 169 G CA 1.033 46.135 45.100 0.004 0.000 0.779 169 G HN 0.445 nan 8.290 nan 0.000 0.543 170 L N -0.231 120.952 121.223 -0.066 0.000 2.127 170 L HA -0.080 4.302 4.340 0.070 0.000 0.211 170 L C 2.710 179.566 176.870 -0.023 0.000 1.089 170 L CA 0.202 55.038 54.840 -0.006 0.000 0.757 170 L CB -0.328 41.658 42.059 -0.122 0.000 0.899 170 L HN 0.131 nan 8.230 nan 0.000 0.434 171 L N -0.822 120.351 121.223 -0.083 0.000 2.141 171 L HA -0.155 4.227 4.340 0.070 0.000 0.209 171 L C 2.768 179.575 176.870 -0.106 0.000 1.094 171 L CA 1.437 56.229 54.840 -0.079 0.000 0.763 171 L CB -1.210 40.802 42.059 -0.078 0.000 0.908 171 L HN 0.181 nan 8.230 nan 0.000 0.437 172 S N -0.852 114.728 115.700 -0.199 0.000 2.374 172 S HA -0.262 4.250 4.470 0.070 0.000 0.227 172 S C 1.930 176.366 174.600 -0.273 0.000 1.037 172 S CA 1.859 59.884 58.200 -0.292 0.000 1.024 172 S CB -0.189 62.712 63.200 -0.499 0.000 0.861 172 S HN 0.668 nan 8.310 nan 0.000 0.456 173 H N -0.062 119.029 119.070 0.035 0.000 2.497 173 H HA 0.399 4.993 4.556 0.064 0.000 0.282 173 H C 2.322 177.685 175.328 0.057 0.000 1.003 173 H CA 0.662 56.740 56.048 0.050 0.000 1.307 173 H CB -0.186 29.605 29.762 0.048 0.000 1.437 173 H HN 0.464 nan 8.280 nan 0.000 0.544 174 A N 1.213 124.094 122.820 0.101 0.000 1.940 174 A HA -0.144 4.218 4.320 0.070 0.000 0.219 174 A C 2.144 179.753 177.584 0.043 0.000 1.176 174 A CA 1.237 53.307 52.037 0.055 0.000 0.631 174 A CB -0.727 18.265 19.000 -0.012 0.000 0.814 174 A HN 0.321 nan 8.150 nan 0.000 0.446 175 L N -0.640 120.593 121.223 0.016 0.000 2.046 175 L HA -0.225 4.157 4.340 0.070 0.000 0.208 175 L C 2.605 179.522 176.870 0.077 0.000 1.077 175 L CA 1.809 56.659 54.840 0.016 0.000 0.747 175 L CB -0.694 41.359 42.059 -0.010 0.000 0.896 175 L HN 0.481 nan 8.230 nan 0.000 0.432 176 E N 0.040 120.309 120.200 0.114 0.000 2.077 176 E HA -0.219 4.174 4.350 0.070 0.000 0.193 176 E C 1.735 178.493 176.600 0.263 0.000 0.989 176 E CA 1.359 57.861 56.400 0.170 0.000 0.800 176 E CB -0.172 29.650 29.700 0.204 0.000 0.746 176 E HN 0.461 nan 8.360 nan 0.000 0.452 177 D N 0.825 121.400 120.400 0.292 0.000 2.144 177 D HA -0.106 4.576 4.640 0.070 0.000 0.200 177 D C 1.971 178.589 176.300 0.530 0.000 0.978 177 D CA 1.230 55.494 54.000 0.440 0.000 0.833 177 D CB -0.411 40.610 40.800 0.369 0.000 0.961 177 D HN 0.174 nan 8.370 nan 0.000 0.470 178 A N 1.414 124.439 122.820 0.341 0.000 1.940 178 A HA -0.313 4.050 4.320 0.070 0.000 0.221 178 A C 2.034 179.895 177.584 0.461 0.000 1.190 178 A CA 2.044 54.310 52.037 0.381 0.000 0.647 178 A CB -0.699 18.377 19.000 0.126 0.000 0.821 178 A HN 0.327 nan 8.150 nan 0.000 0.457 179 E N -1.164 119.183 120.200 0.244 0.000 2.077 179 E HA -0.229 4.164 4.350 0.070 0.000 0.193 179 E C 1.829 178.445 176.600 0.027 0.000 0.989 179 E CA 1.556 58.006 56.400 0.083 0.000 0.800 179 E CB -0.402 29.238 29.700 -0.101 0.000 0.746 179 E HN 0.894 nan 8.360 nan 0.000 0.452 180 H N -0.827 118.346 119.070 0.171 0.000 2.491 180 H HA -0.031 4.567 4.556 0.069 0.000 0.290 180 H C 1.071 176.343 175.328 -0.093 0.000 1.050 180 H CA 0.765 56.828 56.048 0.025 0.000 1.309 180 H CB -0.036 29.699 29.762 -0.045 0.000 1.392 180 H HN 0.094 nan 8.280 nan 0.000 0.554 181 F N -0.547 119.536 119.950 0.222 0.000 2.732 181 F HA 0.233 4.810 4.527 0.082 0.000 0.303 181 F C 1.618 177.447 175.800 0.048 0.000 1.110 181 F CA 0.580 58.683 58.000 0.172 0.000 1.355 181 F CB 0.599 39.754 39.000 0.259 0.000 1.081 181 F HN 0.278 nan 8.300 nan 0.000 0.565 182 G N -1.225 107.650 108.800 0.125 0.000 2.176 182 G HA2 -0.280 3.722 3.960 0.070 0.000 0.232 182 G HA3 -0.280 3.722 3.960 0.070 0.000 0.232 182 G C -0.119 174.684 174.900 -0.162 0.000 0.986 182 G CA -0.716 44.349 45.100 -0.060 0.000 0.643 182 G HN 0.234 nan 8.290 nan 0.000 0.522 183 W N 1.345 122.695 121.300 0.084 0.000 2.266 183 W HA 0.592 5.294 4.660 0.070 0.000 0.317 183 W C 0.860 177.396 176.519 0.027 0.000 1.310 183 W CA 0.217 57.595 57.345 0.054 0.000 1.207 183 W CB 1.325 30.822 29.460 0.060 0.000 1.199 183 W HN 0.140 nan 8.180 nan 0.000 0.544 184 S N 5.631 121.471 115.700 0.234 0.000 2.434 184 S HA 0.638 5.150 4.470 0.070 0.000 0.318 184 S C -0.767 173.923 174.600 0.150 0.000 1.062 184 S CA -0.730 57.551 58.200 0.136 0.000 1.116 184 S CB -0.778 62.465 63.200 0.072 0.000 0.977 184 S HN 0.410 nan 8.310 nan 0.000 0.480 185 L N 1.784 123.076 121.223 0.115 0.000 2.415 185 L HA 0.773 5.155 4.340 0.070 0.000 0.256 185 L C -1.112 175.787 176.870 0.048 0.000 1.010 185 L CA -1.023 53.865 54.840 0.081 0.000 0.826 185 L CB 1.795 43.901 42.059 0.079 0.000 1.405 185 L HN 0.227 nan 8.230 nan 0.000 0.410 186 D N 0.853 121.274 120.400 0.034 0.000 2.485 186 D HA 0.310 4.992 4.640 0.070 0.000 0.221 186 D C 0.750 177.061 176.300 0.018 0.000 1.112 186 D CA -0.261 53.752 54.000 0.022 0.000 0.911 186 D CB 1.066 41.876 40.800 0.018 0.000 1.019 186 D HN 0.587 nan 8.370 nan 0.000 0.516 187 R N 0.899 121.410 120.500 0.019 0.000 2.148 187 R HA -0.090 4.292 4.340 0.070 0.000 0.227 187 R C 1.937 178.245 176.300 0.013 0.000 1.103 187 R CA 1.030 57.141 56.100 0.017 0.000 0.983 187 R CB 0.009 30.322 30.300 0.022 0.000 0.874 187 R HN 0.383 nan 8.270 nan 0.000 0.451 188 S N 0.651 116.358 115.700 0.012 0.000 2.500 188 S HA -0.076 4.436 4.470 0.070 0.000 0.239 188 S C 1.376 175.980 174.600 0.006 0.000 0.989 188 S CA 0.898 59.104 58.200 0.009 0.000 0.951 188 S CB 0.063 63.267 63.200 0.007 0.000 0.759 188 S HN 0.263 nan 8.310 nan 0.000 0.523 189 K N 0.078 120.482 120.400 0.006 0.000 2.387 189 K HA 0.413 4.775 4.320 0.070 0.000 0.203 189 K C -0.391 176.210 176.600 0.002 0.000 1.030 189 K CA -0.108 56.181 56.287 0.003 0.000 1.099 189 K CB 0.478 32.981 32.500 0.004 0.000 0.863 189 K HN 0.417 nan 8.250 nan 0.000 0.529 190 I N 1.831 122.403 120.570 0.004 0.000 2.385 190 I HA 0.085 4.297 4.170 0.070 0.000 0.294 190 I C 0.192 176.313 176.117 0.006 0.000 0.988 190 I CA -0.370 60.932 61.300 0.003 0.000 1.265 190 I CB 1.616 39.619 38.000 0.005 0.000 1.388 190 I HN 0.002 nan 8.210 nan 0.000 0.480 191 S N 3.633 119.336 115.700 0.006 0.000 2.627 191 S HA 0.536 5.048 4.470 0.070 0.000 0.283 191 S C -1.081 173.542 174.600 0.038 0.000 1.127 191 S CA -0.882 57.325 58.200 0.012 0.000 0.863 191 S CB 1.908 65.102 63.200 -0.011 0.000 1.121 191 S HN 0.651 nan 8.310 nan 0.000 0.479 192 H N 1.085 120.119 119.070 -0.060 0.000 2.457 192 H HA 0.557 5.155 4.556 0.071 0.000 0.335 192 H C -0.711 174.588 175.328 -0.049 0.000 1.115 192 H CA -0.417 55.602 56.048 -0.048 0.000 1.219 192 H CB 1.152 30.894 29.762 -0.033 0.000 1.471 192 H HN 0.639 nan 8.280 nan 0.000 0.491 193 N N 5.686 124.026 118.700 -0.601 0.000 2.546 193 N HA -0.052 4.730 4.740 0.070 0.000 0.238 193 N C 0.820 176.132 175.510 -0.331 0.000 0.984 193 N CA -0.427 52.423 53.050 -0.333 0.000 0.935 193 N CB 0.261 38.623 38.487 -0.210 0.000 1.122 193 N HN 0.807 nan 8.380 nan 0.000 0.510 194 W N 4.298 125.530 121.300 -0.114 0.000 2.317 194 W HA -0.265 4.437 4.660 0.071 0.000 0.318 194 W C 1.465 178.047 176.519 0.106 0.000 1.227 194 W CA 2.362 59.823 57.345 0.194 0.000 1.269 194 W CB -0.473 29.309 29.460 0.536 0.000 1.155 194 W HN 0.615 nan 8.180 nan 0.000 0.484 195 S N 0.154 115.966 115.700 0.187 0.000 2.382 195 S HA -0.197 4.315 4.470 0.070 0.000 0.228 195 S C 1.684 176.233 174.600 -0.085 0.000 1.027 195 S CA 1.977 60.207 58.200 0.050 0.000 0.991 195 S CB -1.122 62.182 63.200 0.173 0.000 0.823 195 S HN 0.224 nan 8.310 nan 0.000 0.469 196 T N 2.623 117.119 114.554 -0.096 0.000 2.684 196 T HA -0.100 4.292 4.350 0.070 0.000 0.267 196 T C 1.725 176.331 174.700 -0.158 0.000 1.036 196 T CA 1.726 63.753 62.100 -0.120 0.000 1.148 196 T CB -0.480 68.307 68.868 -0.134 0.000 0.863 196 T HN 0.493 nan 8.240 nan 0.000 0.436 197 M N 0.911 120.383 119.600 -0.214 0.000 2.086 197 M HA -0.123 4.399 4.480 0.070 0.000 0.261 197 M C 2.220 178.359 176.300 -0.269 0.000 1.067 197 M CA 1.653 56.832 55.300 -0.202 0.000 1.116 197 M CB -0.377 32.148 32.600 -0.125 0.000 1.348 197 M HN 0.088 nan 8.290 nan 0.000 0.407 198 V N 1.043 120.715 119.914 -0.404 0.000 2.332 198 V HA -0.256 3.906 4.120 0.070 0.000 0.248 198 V C 2.419 178.413 176.094 -0.165 0.000 1.055 198 V CA 1.889 63.980 62.300 -0.348 0.000 1.038 198 V CB -0.896 30.676 31.823 -0.418 0.000 0.651 198 V HN 0.498 nan 8.190 nan 0.000 0.450 199 E N 0.527 120.652 120.200 -0.125 0.000 2.058 199 E HA -0.189 4.203 4.350 0.070 0.000 0.194 199 E C 2.350 178.910 176.600 -0.068 0.000 0.997 199 E CA 1.643 58.001 56.400 -0.070 0.000 0.801 199 E CB -0.789 28.880 29.700 -0.053 0.000 0.746 199 E HN 0.620 nan 8.360 nan 0.000 0.450 200 G N 0.955 109.703 108.800 -0.087 0.000 2.421 200 G HA2 -0.215 3.788 3.960 0.070 0.000 0.216 200 G HA3 -0.215 3.788 3.960 0.070 0.000 0.216 200 G C 1.881 176.745 174.900 -0.060 0.000 1.171 200 G CA 1.010 46.066 45.100 -0.074 0.000 0.775 200 G HN 0.184 nan 8.290 nan 0.000 0.543 201 V N 0.577 120.436 119.914 -0.091 0.000 2.287 201 V HA -0.196 3.966 4.120 0.070 0.000 0.248 201 V C 2.989 179.062 176.094 -0.036 0.000 1.053 201 V CA 1.950 64.203 62.300 -0.078 0.000 1.027 201 V CB -0.394 31.347 31.823 -0.137 0.000 0.646 201 V HN 0.318 nan 8.190 nan 0.000 0.447 202 Q N -0.640 119.133 119.800 -0.044 0.000 2.224 202 Q HA -0.124 4.258 4.340 0.070 0.000 0.203 202 Q C 2.531 178.524 176.000 -0.011 0.000 0.970 202 Q CA 1.657 57.448 55.803 -0.020 0.000 0.865 202 Q CB -0.543 28.192 28.738 -0.006 0.000 0.922 202 Q HN 0.644 nan 8.270 nan 0.000 0.445 203 S N -0.000 115.693 115.700 -0.011 0.000 2.368 203 S HA -0.195 4.317 4.470 0.070 0.000 0.224 203 S C 1.904 176.507 174.600 0.006 0.000 1.029 203 S CA 1.448 59.642 58.200 -0.010 0.000 0.988 203 S CB -0.159 63.030 63.200 -0.019 0.000 0.838 203 S HN 0.544 nan 8.310 nan 0.000 0.462 204 H N 1.094 120.124 119.070 -0.068 0.000 2.357 204 H HA 0.118 4.719 4.556 0.074 0.000 0.301 204 H C 1.878 177.177 175.328 -0.048 0.000 1.082 204 H CA 2.060 58.067 56.048 -0.067 0.000 1.342 204 H CB -0.534 29.177 29.762 -0.085 0.000 1.389 204 H HN 0.443 nan 8.280 nan 0.000 0.511 205 I N 0.056 120.525 120.570 -0.169 0.000 2.194 205 I HA -0.257 3.955 4.170 0.070 0.000 0.246 205 I C 2.738 178.790 176.117 -0.109 0.000 1.093 205 I CA 1.334 62.530 61.300 -0.173 0.000 1.355 205 I CB -0.739 37.211 38.000 -0.082 0.000 1.046 205 I HN 0.496 nan 8.210 nan 0.000 0.413 206 G N 0.622 109.389 108.800 -0.055 0.000 2.476 206 G HA2 -0.347 3.655 3.960 0.070 0.000 0.218 206 G HA3 -0.347 3.655 3.960 0.070 0.000 0.218 206 G C 1.783 176.685 174.900 0.003 0.000 1.164 206 G CA 1.287 46.385 45.100 -0.004 0.000 0.768 206 G HN 0.523 nan 8.290 nan 0.000 0.560 207 S N 0.225 115.883 115.700 -0.070 0.000 2.423 207 S HA 0.067 4.579 4.470 0.070 0.000 0.231 207 S C 2.342 176.938 174.600 -0.007 0.000 1.014 207 S CA 1.031 59.210 58.200 -0.036 0.000 0.965 207 S CB -0.261 62.887 63.200 -0.086 0.000 0.785 207 S HN 0.320 nan 8.310 nan 0.000 0.495 208 L N 1.420 122.546 121.223 -0.161 0.000 2.044 208 L HA -0.064 4.318 4.340 0.070 0.000 0.205 208 L C 2.661 179.529 176.870 -0.003 0.000 1.075 208 L CA 1.133 55.869 54.840 -0.174 0.000 0.747 208 L CB -0.885 41.049 42.059 -0.209 0.000 0.903 208 L HN 0.290 nan 8.230 nan 0.000 0.435 209 N N -0.098 118.654 118.700 0.087 0.000 2.021 209 N HA -0.296 4.486 4.740 0.070 0.000 0.198 209 N C 1.488 177.073 175.510 0.125 0.000 1.041 209 N CA 2.010 55.143 53.050 0.139 0.000 0.862 209 N CB -0.758 37.808 38.487 0.132 0.000 1.048 209 N HN 0.473 nan 8.380 nan 0.000 0.427 210 W N 1.912 123.186 121.300 -0.044 0.000 2.358 210 W HA -0.029 4.672 4.660 0.068 0.000 0.303 210 W C 2.399 178.868 176.519 -0.084 0.000 1.208 210 W CA 1.997 59.312 57.345 -0.050 0.000 1.274 210 W CB -0.765 28.666 29.460 -0.049 0.000 1.138 210 W HN 0.083 nan 8.180 nan 0.000 0.515 211 G N -0.599 108.223 108.800 0.037 0.000 2.440 211 G HA2 -0.351 3.651 3.960 0.070 0.000 0.218 211 G HA3 -0.351 3.651 3.960 0.070 0.000 0.218 211 G C 1.168 175.830 174.900 -0.396 0.000 1.154 211 G CA 1.307 46.255 45.100 -0.254 0.000 0.767 211 G HN 0.361 nan 8.290 nan 0.000 0.552 212 Y N 1.003 121.191 120.300 -0.185 0.000 2.200 212 Y HA 0.031 4.623 4.550 0.069 0.000 0.290 212 Y C 2.862 178.584 175.900 -0.297 0.000 1.137 212 Y CA 1.187 59.160 58.100 -0.213 0.000 1.163 212 Y CB -0.152 38.200 38.460 -0.180 0.000 0.988 212 Y HN 0.111 nan 8.280 nan 0.000 0.518 213 K N -0.373 119.905 120.400 -0.203 0.000 2.032 213 K HA -0.166 4.196 4.320 0.070 0.000 0.209 213 K C 2.056 178.471 176.600 -0.309 0.000 1.048 213 K CA 1.792 57.903 56.287 -0.292 0.000 0.927 213 K CB -0.696 31.653 32.500 -0.252 0.000 0.712 213 K HN 0.121 nan 8.250 nan 0.000 0.441 214 V N 1.493 121.107 119.914 -0.499 0.000 2.287 214 V HA -0.283 3.879 4.120 0.070 0.000 0.248 214 V C 2.430 178.341 176.094 -0.306 0.000 1.053 214 V CA 2.058 64.046 62.300 -0.519 0.000 1.027 214 V CB -0.784 30.494 31.823 -0.909 0.000 0.646 214 V HN 0.382 nan 8.190 nan 0.000 0.447 215 A N -0.210 122.454 122.820 -0.261 0.000 1.917 215 A HA -0.206 4.156 4.320 0.070 0.000 0.219 215 A C 2.225 179.748 177.584 -0.101 0.000 1.182 215 A CA 2.064 54.014 52.037 -0.147 0.000 0.633 215 A CB -0.590 18.357 19.000 -0.089 0.000 0.819 215 A HN 0.515 nan 8.150 nan 0.000 0.448 216 L N -1.193 119.970 121.223 -0.099 0.000 2.046 216 L HA -0.198 4.184 4.340 0.070 0.000 0.208 216 L C 2.801 179.637 176.870 -0.056 0.000 1.077 216 L CA 1.796 56.596 54.840 -0.068 0.000 0.747 216 L CB -0.593 41.422 42.059 -0.073 0.000 0.896 216 L HN 0.533 nan 8.230 nan 0.000 0.432 217 R N 0.581 121.035 120.500 -0.077 0.000 2.097 217 R HA -0.228 4.154 4.340 0.070 0.000 0.236 217 R C 1.864 178.127 176.300 -0.060 0.000 1.135 217 R CA 2.367 58.430 56.100 -0.061 0.000 0.934 217 R CB -0.292 29.956 30.300 -0.087 0.000 0.846 217 R HN 0.265 nan 8.270 nan 0.000 0.431 218 D N 0.034 120.383 120.400 -0.085 0.000 2.218 218 D HA -0.112 4.570 4.640 0.070 0.000 0.204 218 D C 0.815 177.078 176.300 -0.062 0.000 0.976 218 D CA 1.224 55.180 54.000 -0.074 0.000 0.853 218 D CB -0.281 40.465 40.800 -0.090 0.000 0.939 218 D HN 0.418 nan 8.370 nan 0.000 0.481 219 N N 0.027 118.689 118.700 -0.062 0.000 2.314 219 N HA 0.052 4.835 4.740 0.070 0.000 0.200 219 N C -0.322 175.160 175.510 -0.046 0.000 1.135 219 N CA -0.049 52.964 53.050 -0.061 0.000 0.835 219 N CB 0.359 38.806 38.487 -0.066 0.000 0.989 219 N HN -0.074 nan 8.380 nan 0.000 0.478 220 Q N -0.753 119.028 119.800 -0.031 0.000 2.461 220 Q HA -0.160 4.223 4.340 0.070 0.000 0.273 220 Q C -0.980 175.023 176.000 0.005 0.000 1.163 220 Q CA 0.382 56.179 55.803 -0.010 0.000 0.929 220 Q CB -1.570 27.163 28.738 -0.007 0.000 1.334 220 Q HN 0.155 nan 8.270 nan 0.000 0.499 221 V N 0.687 120.600 119.914 -0.002 0.000 2.498 221 V HA 0.167 4.329 4.120 0.070 0.000 0.279 221 V C 0.895 177.011 176.094 0.036 0.000 1.048 221 V CA -0.034 62.270 62.300 0.007 0.000 0.967 221 V CB 1.765 33.582 31.823 -0.011 0.000 0.988 221 V HN 0.168 nan 8.190 nan 0.000 0.473 222 T N 5.546 120.123 114.554 0.038 0.000 2.779 222 T HA 0.238 4.630 4.350 0.070 0.000 0.296 222 T C -0.611 174.120 174.700 0.052 0.000 0.938 222 T CA 0.278 62.408 62.100 0.050 0.000 1.119 222 T CB -0.159 68.756 68.868 0.078 0.000 0.891 222 T HN 0.532 nan 8.240 nan 0.000 0.526 223 Y N 4.879 125.153 120.300 -0.042 0.000 2.331 223 Y HA 0.588 5.181 4.550 0.072 0.000 0.338 223 Y C -1.287 174.596 175.900 -0.029 0.000 0.992 223 Y CA -1.701 56.373 58.100 -0.044 0.000 1.121 223 Y CB 0.573 39.014 38.460 -0.031 0.000 1.184 223 Y HN 0.499 nan 8.280 nan 0.000 0.469 224 L N 6.397 127.277 121.223 -0.571 0.000 2.343 224 L HA 0.328 4.710 4.340 0.070 0.000 0.278 224 L C -0.411 176.035 176.870 -0.707 0.000 0.996 224 L CA -0.913 53.590 54.840 -0.562 0.000 0.831 224 L CB 1.415 43.326 42.059 -0.246 0.000 1.232 224 L HN 0.606 nan 8.230 nan 0.000 0.413 225 N N 3.490 121.752 118.700 -0.730 0.000 2.549 225 N HA 0.494 5.276 4.740 0.070 0.000 0.267 225 N C -0.881 174.544 175.510 -0.142 0.000 1.182 225 N CA 0.139 52.985 53.050 -0.340 0.000 1.019 225 N CB 0.397 38.784 38.487 -0.168 0.000 1.380 225 N HN 0.749 nan 8.380 nan 0.000 0.505 226 A N 2.425 125.194 122.820 -0.086 0.000 2.589 226 A HA 0.377 4.739 4.320 0.070 0.000 0.296 226 A C -0.894 176.647 177.584 -0.071 0.000 1.062 226 A CA -0.951 51.022 52.037 -0.108 0.000 0.686 226 A CB 1.001 19.925 19.000 -0.126 0.000 1.282 226 A HN 0.466 nan 8.150 nan 0.000 0.404 227 K N 1.266 121.541 120.400 -0.208 0.000 2.312 227 K HA 0.494 4.856 4.320 0.070 0.000 0.287 227 K C 0.312 176.863 176.600 -0.081 0.000 1.062 227 K CA 0.205 56.403 56.287 -0.148 0.000 0.934 227 K CB 0.747 33.036 32.500 -0.350 0.000 1.027 227 K HN 0.919 nan 8.250 nan 0.000 0.478 228 G N 3.976 112.764 108.800 -0.020 0.000 2.371 228 G HA2 0.430 4.432 3.960 0.070 0.000 0.326 228 G HA3 0.430 4.432 3.960 0.070 0.000 0.326 228 G C -0.993 173.905 174.900 -0.004 0.000 1.127 228 G CA -0.738 44.353 45.100 -0.015 0.000 0.885 228 G HN 0.622 nan 8.290 nan 0.000 0.477 229 R N 0.977 121.473 120.500 -0.007 0.000 2.513 229 R HA 0.295 4.677 4.340 0.070 0.000 0.301 229 R C -1.164 175.137 176.300 0.002 0.000 0.968 229 R CA -0.920 55.180 56.100 -0.001 0.000 0.872 229 R CB 2.396 32.692 30.300 -0.006 0.000 1.177 229 R HN 0.410 nan 8.270 nan 0.000 0.444 230 L N 5.305 126.529 121.223 0.002 0.000 2.361 230 L HA 0.217 4.600 4.340 0.070 0.000 0.278 230 L C 0.702 177.572 176.870 -0.000 0.000 1.113 230 L CA 0.493 55.332 54.840 -0.000 0.000 0.849 230 L CB 0.655 42.708 42.059 -0.010 0.000 1.155 230 L HN 0.793 nan 8.230 nan 0.000 0.452 231 I N 0.741 121.315 120.570 0.007 0.000 4.187 231 I HA 0.385 4.597 4.170 0.070 0.000 0.326 231 I C 0.396 176.520 176.117 0.012 0.000 1.302 231 I CA 0.193 61.498 61.300 0.009 0.000 1.196 231 I CB 0.184 38.192 38.000 0.014 0.000 1.095 231 I HN 0.574 nan 8.210 nan 0.000 0.411 232 S N -0.740 114.968 115.700 0.014 0.000 2.643 232 S HA 0.539 5.051 4.470 0.070 0.000 0.270 232 S C -2.467 172.119 174.600 -0.023 0.000 1.166 232 S CA -0.916 57.291 58.200 0.013 0.000 0.815 232 S CB 1.261 64.490 63.200 0.049 0.000 1.139 232 S HN -0.248 nan 8.310 nan 0.000 0.472 233 P HA -0.087 nan 4.420 nan 0.000 0.217 233 P C 0.384 177.446 177.300 -0.397 0.000 1.148 233 P CA 1.759 64.710 63.100 -0.249 0.000 0.834 233 P CB -0.161 31.361 31.700 -0.297 0.000 0.783 234 H N -3.145 115.931 119.070 0.009 0.000 2.923 234 H HA 0.280 4.878 4.556 0.070 0.000 0.268 234 H C 0.008 175.361 175.328 0.041 0.000 1.148 234 H CA -0.228 55.810 56.048 -0.018 0.000 1.146 234 H CB 0.441 30.213 29.762 0.016 0.000 1.607 234 H HN 0.121 nan 8.280 nan 0.000 0.566 235 E N 1.403 121.676 120.200 0.121 0.000 2.165 235 E HA 0.379 4.771 4.350 0.070 0.000 0.266 235 E C -1.050 175.588 176.600 0.063 0.000 0.889 235 E CA -0.674 55.790 56.400 0.107 0.000 0.756 235 E CB 2.822 32.580 29.700 0.097 0.000 1.131 235 E HN -0.043 nan 8.360 nan 0.000 0.411 236 V N 3.534 123.488 119.914 0.067 0.000 2.384 236 V HA 0.200 4.362 4.120 0.070 0.000 0.287 236 V C -0.121 175.994 176.094 0.034 0.000 1.020 236 V CA -0.769 61.556 62.300 0.041 0.000 0.850 236 V CB 1.416 33.260 31.823 0.035 0.000 0.987 236 V HN 0.660 nan 8.190 nan 0.000 0.436 237 Q N 4.709 124.519 119.800 0.017 0.000 2.267 237 Q HA 0.624 5.006 4.340 0.070 0.000 0.255 237 Q C -0.637 175.355 176.000 -0.013 0.000 0.923 237 Q CA -0.401 55.405 55.803 0.005 0.000 0.925 237 Q CB 1.292 30.029 28.738 -0.001 0.000 1.195 237 Q HN 0.867 nan 8.270 nan 0.000 0.417 238 I N 0.287 120.845 120.570 -0.021 0.000 2.530 238 I HA 0.597 4.809 4.170 0.070 0.000 0.297 238 I C -0.972 175.104 176.117 -0.068 0.000 1.011 238 I CA -0.770 60.502 61.300 -0.046 0.000 1.107 238 I CB 2.434 40.409 38.000 -0.042 0.000 1.285 238 I HN 0.340 nan 8.210 nan 0.000 0.436 239 T N 4.226 118.714 114.554 -0.110 0.000 2.791 239 T HA 0.335 4.727 4.350 0.070 0.000 0.288 239 T C -0.442 174.161 174.700 -0.162 0.000 0.999 239 T CA -0.504 61.517 62.100 -0.132 0.000 0.952 239 T CB 1.046 69.815 68.868 -0.165 0.000 0.938 239 T HN 0.810 nan 8.240 nan 0.000 0.444 240 D N 2.006 122.335 120.400 -0.118 0.000 2.447 240 D HA 0.191 4.874 4.640 0.070 0.000 0.265 240 D C 1.513 177.747 176.300 -0.111 0.000 1.250 240 D CA -0.835 53.098 54.000 -0.112 0.000 1.046 240 D CB 0.864 41.617 40.800 -0.078 0.000 1.095 240 D HN 0.317 nan 8.370 nan 0.000 0.555 241 K N 0.512 120.867 120.400 -0.075 0.000 2.057 241 K HA -0.196 4.167 4.320 0.070 0.000 0.207 241 K C 0.964 177.541 176.600 -0.038 0.000 1.049 241 K CA 1.266 57.526 56.287 -0.045 0.000 0.931 241 K CB -1.063 31.432 32.500 -0.008 0.000 0.714 241 K HN 0.486 nan 8.250 nan 0.000 0.440 242 N N 1.623 120.303 118.700 -0.034 0.000 2.666 242 N HA -0.083 4.700 4.740 0.070 0.000 0.194 242 N C -0.215 175.274 175.510 -0.035 0.000 1.220 242 N CA 0.103 53.137 53.050 -0.027 0.000 0.928 242 N CB -0.006 38.468 38.487 -0.022 0.000 0.997 242 N HN 0.224 nan 8.380 nan 0.000 0.447 243 Q N -0.876 118.893 119.800 -0.052 0.000 2.406 243 Q HA -0.240 4.142 4.340 0.070 0.000 0.236 243 Q C -0.172 175.797 176.000 -0.052 0.000 0.799 243 Q CA 0.932 56.700 55.803 -0.059 0.000 1.286 243 Q CB -1.231 27.480 28.738 -0.044 0.000 1.615 243 Q HN 0.549 nan 8.270 nan 0.000 0.621 244 K N 0.898 121.270 120.400 -0.047 0.000 2.368 244 K HA 0.327 4.690 4.320 0.070 0.000 0.282 244 K C -0.318 176.255 176.600 -0.044 0.000 1.035 244 K CA -0.097 56.167 56.287 -0.038 0.000 0.973 244 K CB 0.783 33.265 32.500 -0.031 0.000 0.957 244 K HN -0.069 nan 8.250 nan 0.000 0.474 245 V N 4.300 124.193 119.914 -0.035 0.000 2.427 245 V HA 0.381 4.544 4.120 0.070 0.000 0.286 245 V C -0.217 175.865 176.094 -0.020 0.000 1.034 245 V CA -0.405 61.876 62.300 -0.033 0.000 0.893 245 V CB 1.074 32.879 31.823 -0.030 0.000 0.982 245 V HN 1.029 nan 8.190 nan 0.000 0.452 246 S N 2.924 118.615 115.700 -0.015 0.000 2.705 246 S HA 0.737 5.249 4.470 0.070 0.000 0.280 246 S C -0.716 173.890 174.600 0.011 0.000 1.174 246 S CA -0.774 57.426 58.200 0.000 0.000 0.823 246 S CB 2.355 65.557 63.200 0.004 0.000 1.162 246 S HN 0.523 nan 8.310 nan 0.000 0.487 247 T N 1.547 116.117 114.554 0.027 0.000 2.841 247 T HA 0.695 5.087 4.350 0.070 0.000 0.283 247 T C -0.414 174.329 174.700 0.070 0.000 1.000 247 T CA -0.589 61.537 62.100 0.044 0.000 0.977 247 T CB 0.681 69.575 68.868 0.043 0.000 0.979 247 T HN 0.788 nan 8.240 nan 0.000 0.446 248 I N 0.121 120.751 120.570 0.100 0.000 2.740 248 I HA 0.850 5.062 4.170 0.070 0.000 0.303 248 I C -0.056 176.171 176.117 0.183 0.000 1.044 248 I CA -1.019 60.379 61.300 0.162 0.000 1.064 248 I CB 2.443 40.595 38.000 0.253 0.000 1.249 248 I HN 0.603 nan 8.210 nan 0.000 0.433 249 T N 0.841 115.527 114.554 0.221 0.000 2.885 249 T HA 0.881 5.274 4.350 0.070 0.000 0.285 249 T C -0.162 174.714 174.700 0.293 0.000 1.019 249 T CA -0.727 61.526 62.100 0.256 0.000 1.010 249 T CB 1.682 70.734 68.868 0.306 0.000 1.022 249 T HN 1.153 nan 8.240 nan 0.000 0.466 250 G N 1.014 109.919 108.800 0.174 0.000 2.706 250 G HA2 0.414 4.417 3.960 0.070 0.000 0.297 250 G HA3 0.414 4.417 3.960 0.070 0.000 0.297 250 G C 0.200 174.921 174.900 -0.299 0.000 1.403 250 G CA -0.762 44.385 45.100 0.078 0.000 0.954 250 G HN 0.624 nan 8.290 nan 0.000 0.500 251 N N 0.192 118.677 118.700 -0.357 0.000 2.047 251 N HA -0.047 4.735 4.740 0.070 0.000 0.193 251 N C 0.590 176.105 175.510 0.008 0.000 1.055 251 N CA 1.068 53.889 53.050 -0.381 0.000 0.847 251 N CB -0.011 38.478 38.487 0.004 0.000 1.038 251 N HN 0.336 nan 8.380 nan 0.000 0.427 252 K N 0.738 121.211 120.400 0.122 0.000 2.130 252 K HA 0.306 4.668 4.320 0.070 0.000 0.268 252 K C -0.392 176.288 176.600 0.133 0.000 0.983 252 K CA -0.579 55.804 56.287 0.160 0.000 0.893 252 K CB 1.779 34.403 32.500 0.206 0.000 1.066 252 K HN 0.154 nan 8.250 nan 0.000 0.450 253 I N 3.627 124.272 120.570 0.125 0.000 2.465 253 I HA 0.413 4.625 4.170 0.070 0.000 0.291 253 I C 0.058 176.267 176.117 0.153 0.000 1.014 253 I CA -0.814 60.543 61.300 0.094 0.000 1.093 253 I CB 1.291 39.305 38.000 0.023 0.000 1.267 253 I HN 0.436 nan 8.210 nan 0.000 0.431 254 I N 6.246 126.889 120.570 0.121 0.000 2.362 254 I HA 0.327 4.539 4.170 0.070 0.000 0.289 254 I C -0.287 175.880 176.117 0.083 0.000 0.994 254 I CA -0.605 60.772 61.300 0.129 0.000 1.158 254 I CB 1.648 39.714 38.000 0.110 0.000 1.315 254 I HN 0.250 nan 8.210 nan 0.000 0.451 255 L N 6.748 128.019 121.223 0.080 0.000 2.283 255 L HA 0.490 4.872 4.340 0.070 0.000 0.287 255 L C 0.559 177.463 176.870 0.057 0.000 1.073 255 L CA -0.136 54.737 54.840 0.054 0.000 0.822 255 L CB 0.832 42.915 42.059 0.039 0.000 1.186 255 L HN 0.723 nan 8.230 nan 0.000 0.436 256 A N 1.348 124.197 122.820 0.049 0.000 3.176 256 A HA 0.292 4.654 4.320 0.070 0.000 0.265 256 A C 0.897 178.506 177.584 0.042 0.000 0.936 256 A CA -0.239 51.825 52.037 0.045 0.000 1.033 256 A CB -0.069 18.954 19.000 0.039 0.000 1.158 256 A HN 0.729 nan 8.150 nan 0.000 0.485 257 T N -3.128 111.453 114.554 0.045 0.000 3.081 257 T HA 0.442 4.834 4.350 0.070 0.000 0.250 257 T C 1.319 176.052 174.700 0.055 0.000 1.100 257 T CA 0.968 63.098 62.100 0.050 0.000 1.038 257 T CB -0.218 68.680 68.868 0.050 0.000 0.962 257 T HN 1.990 nan 8.240 nan 0.000 0.516 258 G N 1.256 110.086 108.800 0.051 0.000 2.598 258 G HA2 -0.177 3.826 3.960 0.070 0.000 0.269 258 G HA3 -0.177 3.826 3.960 0.070 0.000 0.269 258 G C -0.675 174.262 174.900 0.062 0.000 1.289 258 G CA 0.002 45.135 45.100 0.056 0.000 0.926 258 G HN 0.654 nan 8.290 nan 0.000 0.567 259 E N -0.513 119.730 120.200 0.072 0.000 2.423 259 E HA 0.747 5.140 4.350 0.070 0.000 0.269 259 E C -0.288 176.370 176.600 0.097 0.000 0.948 259 E CA -1.133 55.312 56.400 0.075 0.000 0.802 259 E CB 1.661 31.401 29.700 0.067 0.000 1.339 259 E HN 0.443 nan 8.360 nan 0.000 0.445 260 R N 0.510 121.069 120.500 0.098 0.000 2.771 260 R HA 0.461 4.843 4.340 0.070 0.000 0.274 260 R C -2.734 173.627 176.300 0.102 0.000 0.987 260 R CA -2.489 53.684 56.100 0.122 0.000 0.908 260 R CB 0.998 31.378 30.300 0.134 0.000 1.213 260 R HN 0.320 nan 8.270 nan 0.000 0.468 261 P HA 0.105 nan 4.420 nan 0.000 0.269 261 P C -0.502 176.817 177.300 0.033 0.000 1.209 261 P CA -0.020 63.103 63.100 0.038 0.000 0.776 261 P CB 0.561 32.252 31.700 -0.015 0.000 0.876 262 K N 1.967 122.366 120.400 -0.002 0.000 2.098 262 K HA 0.360 4.722 4.320 0.070 0.000 0.257 262 K C -0.506 176.026 176.600 -0.113 0.000 0.999 262 K CA -0.168 56.128 56.287 0.016 0.000 0.924 262 K CB 0.436 32.942 32.500 0.011 0.000 1.028 262 K HN 0.408 nan 8.250 nan 0.000 0.466 263 Y N 1.330 121.552 120.300 -0.130 0.000 2.429 263 Y HA 0.288 4.881 4.550 0.072 0.000 0.342 263 Y C -1.796 173.914 175.900 -0.316 0.000 1.004 263 Y CA -2.228 55.676 58.100 -0.327 0.000 1.075 263 Y CB 1.237 39.502 38.460 -0.324 0.000 1.214 263 Y HN 0.519 nan 8.280 nan 0.000 0.455 264 P HA 0.091 nan 4.420 nan 0.000 0.274 264 P C -1.063 176.154 177.300 -0.138 0.000 1.237 264 P CA -0.413 62.581 63.100 -0.178 0.000 0.793 264 P CB 0.876 32.471 31.700 -0.175 0.000 0.977 265 E N 1.261 121.418 120.200 -0.072 0.000 2.028 265 E HA 0.246 4.638 4.350 0.070 0.000 0.275 265 E C 0.067 176.646 176.600 -0.036 0.000 1.171 265 E CA -0.186 56.181 56.400 -0.055 0.000 1.186 265 E CB -0.609 29.070 29.700 -0.034 0.000 1.256 265 E HN 0.409 nan 8.360 nan 0.000 0.474 266 I N -2.476 118.068 120.570 -0.043 0.000 2.785 266 I HA 0.649 4.861 4.170 0.070 0.000 0.302 266 I C -2.668 173.453 176.117 0.006 0.000 1.069 266 I CA -3.363 57.938 61.300 0.001 0.000 1.045 266 I CB 1.837 39.860 38.000 0.038 0.000 1.236 266 I HN -0.102 nan 8.210 nan 0.000 0.429 267 P HA 0.255 nan 4.420 nan 0.000 0.267 267 P C 0.702 178.047 177.300 0.074 0.000 1.205 267 P CA 0.738 63.858 63.100 0.033 0.000 0.765 267 P CB 0.920 32.653 31.700 0.055 0.000 0.828 268 G N 2.129 110.934 108.800 0.008 0.000 2.195 268 G HA2 -0.303 3.699 3.960 0.070 0.000 0.246 268 G HA3 -0.303 3.699 3.960 0.070 0.000 0.246 268 G C 1.134 176.081 174.900 0.078 0.000 0.984 268 G CA 0.507 45.618 45.100 0.017 0.000 0.633 268 G HN 0.683 nan 8.290 nan 0.000 0.525 269 A N 0.010 122.885 122.820 0.091 0.000 1.845 269 A HA 0.246 4.608 4.320 0.070 0.000 0.215 269 A C 2.570 180.270 177.584 0.192 0.000 1.195 269 A CA 2.918 55.069 52.037 0.190 0.000 0.616 269 A CB -0.672 18.223 19.000 -0.175 0.000 0.832 269 A HN 1.088 nan 8.150 nan 0.000 0.443 270 V N -0.102 119.717 119.914 -0.159 0.000 2.453 270 V HA -0.185 3.977 4.120 0.070 0.000 0.247 270 V C 2.418 178.388 176.094 -0.207 0.000 1.048 270 V CA 2.253 64.303 62.300 -0.416 0.000 1.049 270 V CB -0.835 30.669 31.823 -0.532 0.000 0.672 270 V HN 0.599 nan 8.190 nan 0.000 0.457 271 E N -0.708 119.319 120.200 -0.287 0.000 2.107 271 E HA -0.124 4.268 4.350 0.070 0.000 0.191 271 E C 1.694 178.134 176.600 -0.266 0.000 0.982 271 E CA 1.485 57.620 56.400 -0.440 0.000 0.809 271 E CB -0.105 29.046 29.700 -0.916 0.000 0.756 271 E HN 0.774 nan 8.360 nan 0.000 0.459 272 Y N -1.326 119.057 120.300 0.139 0.000 2.452 272 Y HA 0.399 4.991 4.550 0.070 0.000 0.262 272 Y C 1.210 177.215 175.900 0.174 0.000 1.089 272 Y CA -0.134 58.047 58.100 0.136 0.000 1.262 272 Y CB -0.118 38.408 38.460 0.111 0.000 1.236 272 Y HN -0.062 nan 8.280 nan 0.000 0.512 273 G N 1.151 110.205 108.800 0.423 0.000 2.528 273 G HA2 0.562 4.564 3.960 0.070 0.000 0.289 273 G HA3 0.562 4.564 3.960 0.070 0.000 0.289 273 G C -0.316 174.794 174.900 0.349 0.000 1.192 273 G CA -0.378 44.940 45.100 0.364 0.000 0.921 273 G HN 0.194 nan 8.290 nan 0.000 0.512 274 I N -2.560 118.115 120.570 0.174 0.000 3.294 274 I HA 0.914 5.126 4.170 0.070 0.000 0.311 274 I C 0.108 176.249 176.117 0.040 0.000 1.111 274 I CA -1.013 60.374 61.300 0.145 0.000 0.976 274 I CB 2.382 40.418 38.000 0.060 0.000 1.260 274 I HN 0.681 nan 8.210 nan 0.000 0.474 275 T N -2.104 112.456 114.554 0.009 0.000 2.831 275 T HA 0.328 4.720 4.350 0.070 0.000 0.287 275 T C 0.918 175.574 174.700 -0.072 0.000 1.070 275 T CA -0.006 62.058 62.100 -0.060 0.000 1.010 275 T CB 1.086 69.901 68.868 -0.088 0.000 1.264 275 T HN 0.883 nan 8.240 nan 0.000 0.532 276 S N 0.120 115.779 115.700 -0.068 0.000 2.402 276 S HA -0.200 4.312 4.470 0.070 0.000 0.233 276 S C 1.304 175.900 174.600 -0.007 0.000 1.030 276 S CA 1.730 59.879 58.200 -0.084 0.000 1.003 276 S CB -1.040 62.224 63.200 0.106 0.000 0.813 276 S HN 0.727 nan 8.310 nan 0.000 0.477 277 D N 1.893 122.324 120.400 0.052 0.000 2.182 277 D HA -0.059 4.623 4.640 0.070 0.000 0.201 277 D C 1.510 177.874 176.300 0.106 0.000 0.986 277 D CA 1.310 55.353 54.000 0.071 0.000 0.847 277 D CB -0.291 40.674 40.800 0.275 0.000 0.942 277 D HN 0.560 nan 8.370 nan 0.000 0.467 278 D N -0.607 119.845 120.400 0.086 0.000 2.324 278 D HA -0.027 4.656 4.640 0.070 0.000 0.212 278 D C 2.134 178.437 176.300 0.004 0.000 0.984 278 D CA -0.082 53.974 54.000 0.094 0.000 0.885 278 D CB 0.063 40.922 40.800 0.099 0.000 0.996 278 D HN 0.122 nan 8.370 nan 0.000 0.505 279 L N 0.432 121.574 121.223 -0.135 0.000 2.083 279 L HA -0.101 4.281 4.340 0.070 0.000 0.209 279 L C 1.730 178.537 176.870 -0.106 0.000 1.083 279 L CA 1.585 56.289 54.840 -0.227 0.000 0.752 279 L CB -0.683 41.094 42.059 -0.471 0.000 0.899 279 L HN -0.116 nan 8.230 nan 0.000 0.433 280 F N -1.016 118.986 119.950 0.087 0.000 2.661 280 F HA 0.010 4.580 4.527 0.071 0.000 0.298 280 F C 1.990 177.782 175.800 -0.012 0.000 1.137 280 F CA 0.565 58.577 58.000 0.020 0.000 1.454 280 F CB -0.222 38.732 39.000 -0.077 0.000 1.103 280 F HN 0.314 nan 8.300 nan 0.000 0.577 281 S N -0.813 114.987 115.700 0.167 0.000 2.730 281 S HA 0.219 4.731 4.470 0.070 0.000 0.244 281 S C 0.060 174.742 174.600 0.136 0.000 1.022 281 S CA -0.446 57.830 58.200 0.127 0.000 1.014 281 S CB -0.486 62.796 63.200 0.137 0.000 0.963 281 S HN 0.070 nan 8.310 nan 0.000 0.540 282 L N 4.221 125.538 121.223 0.157 0.000 2.615 282 L HA 0.264 4.646 4.340 0.070 0.000 0.271 282 L C -1.471 175.494 176.870 0.159 0.000 1.183 282 L CA -1.073 53.785 54.840 0.030 0.000 0.933 282 L CB 0.519 42.476 42.059 -0.170 0.000 1.199 282 L HN 0.053 nan 8.230 nan 0.000 0.487 283 P HA -0.070 nan 4.420 nan 0.000 0.236 283 P C -0.807 176.671 177.300 0.298 0.000 1.177 283 P CA 0.750 63.977 63.100 0.212 0.000 0.773 283 P CB -0.136 31.685 31.700 0.202 0.000 0.878 284 Y N -2.305 118.122 120.300 0.212 0.000 2.496 284 Y HA 0.619 5.212 4.550 0.072 0.000 0.331 284 Y C 0.008 175.858 175.900 -0.083 0.000 1.140 284 Y CA -2.458 55.720 58.100 0.131 0.000 1.166 284 Y CB 0.059 38.549 38.460 0.049 0.000 1.249 284 Y HN -0.298 nan 8.280 nan 0.000 0.479 285 F N 4.056 123.911 119.950 -0.160 0.000 2.471 285 F HA 0.339 4.907 4.527 0.068 0.000 0.353 285 F C -1.791 173.753 175.800 -0.427 0.000 1.113 285 F CA -2.447 55.128 58.000 -0.707 0.000 1.262 285 F CB 1.156 40.017 39.000 -0.231 0.000 1.146 285 F HN 0.391 nan 8.300 nan 0.000 0.578 286 P HA 0.079 nan 4.420 nan 0.000 0.221 286 P C 0.614 177.655 177.300 -0.431 0.000 1.150 286 P CA 1.666 64.265 63.100 -0.834 0.000 0.800 286 P CB -0.199 30.881 31.700 -1.034 0.000 0.787 287 G N -0.176 108.393 108.800 -0.384 0.000 2.552 287 G HA2 -0.324 3.678 3.960 0.070 0.000 0.265 287 G HA3 -0.324 3.678 3.960 0.070 0.000 0.265 287 G C -0.274 174.665 174.900 0.066 0.000 1.234 287 G CA -0.174 45.028 45.100 0.169 0.000 0.944 287 G HN 0.472 nan 8.290 nan 0.000 0.568 288 K N 1.025 121.483 120.400 0.098 0.000 2.419 288 K HA 0.396 4.759 4.320 0.070 0.000 0.282 288 K C -0.383 176.305 176.600 0.147 0.000 1.056 288 K CA 0.957 57.314 56.287 0.117 0.000 1.035 288 K CB -0.297 32.260 32.500 0.095 0.000 0.921 288 K HN 0.522 nan 8.250 nan 0.000 0.472 289 T N 4.944 119.555 114.554 0.095 0.000 2.863 289 T HA 0.331 4.723 4.350 0.070 0.000 0.285 289 T C -1.215 173.345 174.700 -0.233 0.000 1.009 289 T CA -0.748 61.306 62.100 -0.076 0.000 0.989 289 T CB 1.180 69.915 68.868 -0.222 0.000 1.004 289 T HN 0.471 nan 8.240 nan 0.000 0.455 290 L N 4.188 125.059 121.223 -0.587 0.000 2.296 290 L HA 0.689 5.072 4.340 0.070 0.000 0.286 290 L C -0.986 175.542 176.870 -0.569 0.000 1.023 290 L CA -0.516 53.798 54.840 -0.877 0.000 0.812 290 L CB 1.235 42.364 42.059 -1.550 0.000 1.223 290 L HN 0.439 nan 8.230 nan 0.000 0.421 291 V N 6.813 126.456 119.914 -0.452 0.000 2.370 291 V HA 0.429 4.591 4.120 0.070 0.000 0.279 291 V C 0.180 176.077 176.094 -0.327 0.000 1.029 291 V CA -0.395 61.686 62.300 -0.365 0.000 0.870 291 V CB 1.333 32.987 31.823 -0.281 0.000 0.984 291 V HN 0.593 nan 8.190 nan 0.000 0.451 292 I N 4.766 125.149 120.570 -0.311 0.000 2.312 292 I HA 0.784 4.996 4.170 0.070 0.000 0.290 292 I C 0.700 176.782 176.117 -0.059 0.000 1.008 292 I CA 0.293 61.481 61.300 -0.186 0.000 1.226 292 I CB 1.281 39.198 38.000 -0.138 0.000 1.371 292 I HN 0.898 nan 8.210 nan 0.000 0.468 293 G N 4.368 113.143 108.800 -0.041 0.000 2.355 293 G HA2 0.312 4.314 3.960 0.070 0.000 0.619 293 G HA3 0.312 4.314 3.960 0.070 0.000 0.619 293 G C -0.651 174.260 174.900 0.018 0.000 1.337 293 G CA -0.171 44.932 45.100 0.004 0.000 0.993 293 G HN 0.873 nan 8.290 nan 0.000 0.599 294 A N -0.664 122.185 122.820 0.048 0.000 2.554 294 A HA 0.802 5.164 4.320 0.070 0.000 0.266 294 A C 0.680 178.306 177.584 0.070 0.000 0.938 294 A CA 1.568 53.647 52.037 0.071 0.000 1.045 294 A CB 0.053 19.096 19.000 0.072 0.000 1.198 294 A HN 1.958 nan 8.150 nan 0.000 0.528 295 S N -1.166 114.586 115.700 0.087 0.000 2.521 295 S HA 0.497 5.009 4.470 0.070 0.000 0.278 295 S C 1.480 176.177 174.600 0.160 0.000 1.140 295 S CA 0.215 58.474 58.200 0.098 0.000 1.028 295 S CB 0.184 63.477 63.200 0.155 0.000 1.203 295 S HN 0.663 nan 8.310 nan 0.000 0.491 296 Y N 0.211 120.537 120.300 0.042 0.000 2.293 296 Y HA 0.116 4.707 4.550 0.067 0.000 0.291 296 Y C 2.190 178.124 175.900 0.057 0.000 1.137 296 Y CA 0.650 58.755 58.100 0.010 0.000 1.202 296 Y CB -2.094 36.351 38.460 -0.025 0.000 0.990 296 Y HN 0.193 nan 8.280 nan 0.000 0.537 297 V N 1.466 121.539 119.914 0.265 0.000 2.295 297 V HA -0.293 3.869 4.120 0.070 0.000 0.246 297 V C 2.899 179.046 176.094 0.088 0.000 1.049 297 V CA 1.971 64.359 62.300 0.147 0.000 1.024 297 V CB -1.497 30.399 31.823 0.122 0.000 0.648 297 V HN 0.528 nan 8.190 nan 0.000 0.447 298 A N -0.023 122.841 122.820 0.073 0.000 1.865 298 A HA -0.186 4.176 4.320 0.070 0.000 0.217 298 A C 2.217 179.795 177.584 -0.009 0.000 1.191 298 A CA 2.093 54.132 52.037 0.003 0.000 0.623 298 A CB -0.615 18.394 19.000 0.016 0.000 0.826 298 A HN 0.502 nan 8.150 nan 0.000 0.444 299 L N -0.991 120.266 121.223 0.057 0.000 2.109 299 L HA -0.159 4.223 4.340 0.070 0.000 0.207 299 L C 2.606 179.513 176.870 0.062 0.000 1.086 299 L CA 1.418 56.302 54.840 0.073 0.000 0.760 299 L CB -0.692 41.434 42.059 0.113 0.000 0.910 299 L HN 0.486 nan 8.230 nan 0.000 0.437 300 E N -0.299 119.957 120.200 0.094 0.000 2.051 300 E HA -0.212 4.180 4.350 0.070 0.000 0.192 300 E C 2.346 178.944 176.600 -0.002 0.000 0.991 300 E CA 1.665 58.147 56.400 0.137 0.000 0.799 300 E CB -0.177 29.653 29.700 0.218 0.000 0.748 300 E HN 0.535 nan 8.360 nan 0.000 0.449 301 C N 0.847 120.057 119.300 -0.150 0.000 2.453 301 C HA -0.064 4.438 4.460 0.070 0.000 0.277 301 C C 2.948 177.523 174.990 -0.690 0.000 1.262 301 C CA 0.713 59.346 59.018 -0.642 0.000 1.718 301 C CB -1.016 26.507 27.740 -0.362 0.000 2.031 301 C HN 0.514 nan 8.230 nan 0.000 0.480 302 A N 0.973 123.588 122.820 -0.342 0.000 1.940 302 A HA -0.001 4.361 4.320 0.070 0.000 0.219 302 A C 2.363 179.836 177.584 -0.186 0.000 1.176 302 A CA 2.263 54.141 52.037 -0.266 0.000 0.631 302 A CB -1.227 17.650 19.000 -0.206 0.000 0.814 302 A HN 0.575 nan 8.150 nan 0.000 0.446 303 G N -0.225 108.518 108.800 -0.096 0.000 2.404 303 G HA2 -0.143 3.859 3.960 0.070 0.000 0.215 303 G HA3 -0.143 3.859 3.960 0.070 0.000 0.215 303 G C 1.457 176.458 174.900 0.168 0.000 1.174 303 G CA 1.137 46.287 45.100 0.083 0.000 0.780 303 G HN 0.813 nan 8.290 nan 0.000 0.537 304 F N 0.470 120.546 119.950 0.210 0.000 2.234 304 F HA 0.219 4.787 4.527 0.068 0.000 0.299 304 F C 2.210 178.121 175.800 0.184 0.000 1.087 304 F CA 0.384 58.512 58.000 0.214 0.000 1.340 304 F CB -0.410 38.734 39.000 0.239 0.000 1.031 304 F HN 0.026 nan 8.300 nan 0.000 0.500 305 L N 1.130 122.320 121.223 -0.056 0.000 2.017 305 L HA -0.164 4.218 4.340 0.070 0.000 0.208 305 L C 3.067 180.036 176.870 0.165 0.000 1.073 305 L CA 1.257 56.153 54.840 0.094 0.000 0.745 305 L CB -1.083 40.880 42.059 -0.160 0.000 0.894 305 L HN 0.365 nan 8.230 nan 0.000 0.432 306 A N -0.843 122.034 122.820 0.095 0.000 1.902 306 A HA -0.191 4.171 4.320 0.070 0.000 0.217 306 A C 2.460 180.141 177.584 0.161 0.000 1.181 306 A CA 2.094 54.201 52.037 0.118 0.000 0.623 306 A CB -0.597 18.461 19.000 0.095 0.000 0.818 306 A HN 0.377 nan 8.150 nan 0.000 0.443 307 S N -0.353 115.466 115.700 0.198 0.000 2.447 307 S HA 0.043 4.555 4.470 0.070 0.000 0.233 307 S C 1.436 176.050 174.600 0.024 0.000 1.006 307 S CA 0.825 59.118 58.200 0.155 0.000 0.957 307 S CB -0.298 63.037 63.200 0.225 0.000 0.773 307 S HN 0.507 nan 8.310 nan 0.000 0.507 308 L N 0.511 121.787 121.223 0.088 0.000 2.599 308 L HA 0.196 4.578 4.340 0.070 0.000 0.230 308 L C 1.669 178.562 176.870 0.039 0.000 1.141 308 L CA 0.446 55.287 54.840 0.001 0.000 0.877 308 L CB -0.347 41.779 42.059 0.111 0.000 1.009 308 L HN 0.495 nan 8.230 nan 0.000 0.447 309 G N -0.432 108.417 108.800 0.083 0.000 2.163 309 G HA2 -0.197 3.805 3.960 0.070 0.000 0.213 309 G HA3 -0.197 3.805 3.960 0.070 0.000 0.213 309 G C 0.541 175.506 174.900 0.109 0.000 0.991 309 G CA -0.315 44.825 45.100 0.066 0.000 0.653 309 G HN 0.484 nan 8.290 nan 0.000 0.518 310 G N -0.214 108.710 108.800 0.207 0.000 2.527 310 G HA2 0.434 4.436 3.960 0.070 0.000 0.248 310 G HA3 0.434 4.436 3.960 0.070 0.000 0.248 310 G C -0.367 174.616 174.900 0.138 0.000 1.231 310 G CA 0.489 45.744 45.100 0.259 0.000 0.838 310 G HN 0.307 nan 8.290 nan 0.000 0.570 311 D N 0.632 121.107 120.400 0.124 0.000 2.380 311 D HA 0.319 5.001 4.640 0.070 0.000 0.230 311 D C -0.319 176.024 176.300 0.071 0.000 1.154 311 D CA -0.198 53.852 54.000 0.085 0.000 0.859 311 D CB 1.018 41.866 40.800 0.080 0.000 1.045 311 D HN 0.021 nan 8.370 nan 0.000 0.495 312 V N 3.568 123.499 119.914 0.028 0.000 2.604 312 V HA 0.528 4.690 4.120 0.070 0.000 0.305 312 V C 0.274 176.323 176.094 -0.076 0.000 1.043 312 V CA -0.667 61.608 62.300 -0.041 0.000 0.888 312 V CB 2.097 33.862 31.823 -0.096 0.000 0.995 312 V HN 0.563 nan 8.190 nan 0.000 0.429 313 T N 3.433 117.921 114.554 -0.110 0.000 2.861 313 T HA 0.623 5.015 4.350 0.070 0.000 0.287 313 T C -0.679 173.840 174.700 -0.302 0.000 1.003 313 T CA -0.482 61.529 62.100 -0.149 0.000 0.977 313 T CB 1.919 70.837 68.868 0.082 0.000 0.996 313 T HN 0.346 nan 8.240 nan 0.000 0.448 314 V N 3.833 123.519 119.914 -0.379 0.000 2.384 314 V HA 0.467 4.629 4.120 0.070 0.000 0.287 314 V C -0.132 175.868 176.094 -0.156 0.000 1.020 314 V CA -0.791 61.315 62.300 -0.324 0.000 0.850 314 V CB 1.594 33.156 31.823 -0.434 0.000 0.987 314 V HN 0.887 nan 8.190 nan 0.000 0.436 315 M N 5.986 125.480 119.600 -0.177 0.000 2.080 315 M HA 0.515 5.037 4.480 0.070 0.000 0.350 315 M C -1.322 174.929 176.300 -0.082 0.000 1.173 315 M CA -0.359 54.838 55.300 -0.171 0.000 1.052 315 M CB 1.026 33.417 32.600 -0.350 0.000 1.577 315 M HN 0.472 nan 8.290 nan 0.000 0.455 316 V N 6.502 126.411 119.914 -0.008 0.000 2.334 316 V HA 0.300 4.463 4.120 0.070 0.000 0.281 316 V C 1.024 177.111 176.094 -0.012 0.000 1.016 316 V CA -0.565 61.754 62.300 0.031 0.000 0.832 316 V CB 1.040 32.928 31.823 0.107 0.000 0.999 316 V HN 0.963 nan 8.190 nan 0.000 0.439 317 R N 3.296 123.779 120.500 -0.028 0.000 2.083 317 R HA -0.144 4.238 4.340 0.070 0.000 0.237 317 R C 1.620 177.912 176.300 -0.014 0.000 1.137 317 R CA 2.432 58.508 56.100 -0.039 0.000 0.951 317 R CB 0.260 30.541 30.300 -0.031 0.000 0.851 317 R HN 0.839 nan 8.270 nan 0.000 0.434 318 S N -0.938 114.763 115.700 0.001 0.000 4.403 318 S HA 0.211 4.723 4.470 0.070 0.000 0.183 318 S C 0.774 175.376 174.600 0.004 0.000 1.070 318 S CA -0.234 57.969 58.200 0.005 0.000 1.145 318 S CB -0.164 63.039 63.200 0.005 0.000 1.585 318 S HN 0.348 nan 8.310 nan 0.000 0.634 319 I N -0.251 120.321 120.570 0.004 0.000 3.108 319 I HA 0.731 4.943 4.170 0.070 0.000 0.312 319 I C -1.493 174.626 176.117 0.004 0.000 1.095 319 I CA -1.491 59.806 61.300 -0.005 0.000 1.000 319 I CB 1.315 39.312 38.000 -0.004 0.000 1.229 319 I HN 0.179 nan 8.210 nan 0.000 0.454 320 L N 3.779 124.992 121.223 -0.016 0.000 2.326 320 L HA 0.426 4.808 4.340 0.070 0.000 0.278 320 L C 0.274 177.150 176.870 0.009 0.000 1.092 320 L CA -0.289 54.545 54.840 -0.009 0.000 0.810 320 L CB 0.702 42.726 42.059 -0.059 0.000 1.153 320 L HN 0.652 nan 8.230 nan 0.000 0.439 321 L N 2.530 123.766 121.223 0.021 0.000 3.677 321 L HA -0.254 4.128 4.340 0.070 0.000 0.464 321 L C 0.824 177.829 176.870 0.225 0.000 1.278 321 L CA 0.187 55.066 54.840 0.066 0.000 0.806 321 L CB -1.205 40.770 42.059 -0.140 0.000 1.610 321 L HN 0.657 nan 8.230 nan 0.000 0.867 322 R N 0.935 121.517 120.500 0.136 0.000 2.523 322 R HA 0.212 4.594 4.340 0.070 0.000 0.281 322 R C 1.480 177.838 176.300 0.097 0.000 0.969 322 R CA 1.449 57.606 56.100 0.096 0.000 1.093 322 R CB 0.214 30.547 30.300 0.055 0.000 0.917 322 R HN 0.544 nan 8.270 nan 0.000 0.408 323 G N 3.328 112.149 108.800 0.036 0.000 2.258 323 G HA2 -0.286 3.717 3.960 0.070 0.000 0.233 323 G HA3 -0.286 3.717 3.960 0.070 0.000 0.233 323 G C -0.058 174.742 174.900 -0.166 0.000 1.006 323 G CA -0.080 44.967 45.100 -0.089 0.000 0.620 323 G HN 0.519 nan 8.290 nan 0.000 0.511 324 F N 2.007 121.951 119.950 -0.011 0.000 2.370 324 F HA 0.475 5.044 4.527 0.070 0.000 0.324 324 F C 0.924 176.753 175.800 0.048 0.000 1.116 324 F CA -0.378 57.656 58.000 0.056 0.000 1.123 324 F CB 0.600 39.657 39.000 0.096 0.000 1.238 324 F HN 0.016 nan 8.300 nan 0.000 0.536 325 D N 1.960 122.529 120.400 0.282 0.000 2.520 325 D HA -0.104 4.578 4.640 0.070 0.000 0.243 325 D C 0.624 176.936 176.300 0.019 0.000 1.160 325 D CA 0.231 54.277 54.000 0.077 0.000 0.877 325 D CB 0.955 41.702 40.800 -0.088 0.000 1.150 325 D HN 0.481 nan 8.370 nan 0.000 0.494 326 Q N 2.817 122.605 119.800 -0.019 0.000 2.311 326 Q HA -0.131 4.251 4.340 0.070 0.000 0.203 326 Q C 1.640 177.581 176.000 -0.098 0.000 0.954 326 Q CA 0.617 56.394 55.803 -0.043 0.000 0.885 326 Q CB -0.021 28.698 28.738 -0.031 0.000 0.963 326 Q HN 0.716 nan 8.270 nan 0.000 0.471 327 Q N -0.200 119.528 119.800 -0.119 0.000 2.079 327 Q HA -0.115 4.267 4.340 0.070 0.000 0.200 327 Q C 1.743 177.609 176.000 -0.223 0.000 0.974 327 Q CA 0.936 56.643 55.803 -0.159 0.000 0.840 327 Q CB 0.169 28.820 28.738 -0.144 0.000 0.898 327 Q HN 0.208 nan 8.270 nan 0.000 0.430 328 M N 0.218 119.663 119.600 -0.258 0.000 2.159 328 M HA -0.086 4.436 4.480 0.070 0.000 0.263 328 M C 2.300 178.342 176.300 -0.429 0.000 1.063 328 M CA 1.484 56.526 55.300 -0.430 0.000 1.110 328 M CB -1.388 30.770 32.600 -0.737 0.000 1.374 328 M HN 0.338 nan 8.290 nan 0.000 0.411 329 A N -0.114 122.535 122.820 -0.285 0.000 1.902 329 A HA -0.200 4.162 4.320 0.070 0.000 0.217 329 A C 2.179 179.659 177.584 -0.174 0.000 1.181 329 A CA 1.936 53.854 52.037 -0.198 0.000 0.623 329 A CB -0.788 18.156 19.000 -0.093 0.000 0.818 329 A HN 0.588 nan 8.150 nan 0.000 0.443 330 E N -0.095 120.004 120.200 -0.168 0.000 2.110 330 E HA -0.209 4.183 4.350 0.070 0.000 0.193 330 E C 1.932 178.439 176.600 -0.154 0.000 0.988 330 E CA 1.411 57.714 56.400 -0.161 0.000 0.804 330 E CB -0.076 29.537 29.700 -0.146 0.000 0.745 330 E HN 0.634 nan 8.360 nan 0.000 0.458 331 K N -0.104 120.192 120.400 -0.174 0.000 2.057 331 K HA -0.083 4.279 4.320 0.070 0.000 0.206 331 K C 2.154 178.716 176.600 -0.064 0.000 1.050 331 K CA 1.097 57.302 56.287 -0.137 0.000 0.935 331 K CB 0.030 32.408 32.500 -0.204 0.000 0.715 331 K HN 0.025 nan 8.250 nan 0.000 0.439 332 V N 1.021 120.871 119.914 -0.107 0.000 2.287 332 V HA -0.233 3.929 4.120 0.070 0.000 0.248 332 V C 2.363 178.491 176.094 0.058 0.000 1.053 332 V CA 2.316 64.599 62.300 -0.028 0.000 1.027 332 V CB -0.938 30.844 31.823 -0.069 0.000 0.646 332 V HN 0.526 nan 8.190 nan 0.000 0.447 333 G N -0.742 108.035 108.800 -0.039 0.000 2.402 333 G HA2 -0.231 3.771 3.960 0.070 0.000 0.216 333 G HA3 -0.231 3.771 3.960 0.070 0.000 0.216 333 G C 1.248 176.098 174.900 -0.083 0.000 1.162 333 G CA 0.943 45.971 45.100 -0.121 0.000 0.777 333 G HN 0.493 nan 8.290 nan 0.000 0.539 334 D N -0.488 119.874 120.400 -0.063 0.000 2.123 334 D HA -0.140 4.542 4.640 0.070 0.000 0.196 334 D C 1.917 178.282 176.300 0.108 0.000 0.992 334 D CA 0.794 54.786 54.000 -0.013 0.000 0.833 334 D CB -0.409 40.376 40.800 -0.025 0.000 0.954 334 D HN 0.382 nan 8.370 nan 0.000 0.455 335 Y N 0.776 121.109 120.300 0.055 0.000 2.128 335 Y HA -0.233 4.365 4.550 0.080 0.000 0.284 335 Y C 2.374 178.409 175.900 0.226 0.000 1.154 335 Y CA 1.658 59.843 58.100 0.141 0.000 1.149 335 Y CB -0.169 38.340 38.460 0.081 0.000 0.976 335 Y HN -0.088 nan 8.280 nan 0.000 0.505 336 M N -0.363 119.441 119.600 0.340 0.000 2.132 336 M HA -0.189 4.333 4.480 0.070 0.000 0.263 336 M C 2.255 178.737 176.300 0.303 0.000 1.065 336 M CA 1.964 57.462 55.300 0.330 0.000 1.122 336 M CB -0.371 32.480 32.600 0.419 0.000 1.365 336 M HN 0.288 nan 8.290 nan 0.000 0.411 337 E N 0.947 121.366 120.200 0.365 0.000 2.085 337 E HA -0.211 4.181 4.350 0.070 0.000 0.194 337 E C 1.423 178.087 176.600 0.106 0.000 0.994 337 E CA 1.516 58.096 56.400 0.301 0.000 0.801 337 E CB -0.046 29.780 29.700 0.210 0.000 0.743 337 E HN 0.561 nan 8.360 nan 0.000 0.453 338 N N -1.204 117.511 118.700 0.025 0.000 2.453 338 N HA -0.109 4.674 4.740 0.070 0.000 0.183 338 N C 0.341 175.660 175.510 -0.319 0.000 1.041 338 N CA 0.554 53.522 53.050 -0.136 0.000 0.900 338 N CB 0.076 38.457 38.487 -0.177 0.000 0.961 338 N HN 0.183 nan 8.380 nan 0.000 0.443 339 H N -1.656 117.304 119.070 -0.183 0.000 2.472 339 H HA 0.331 4.933 4.556 0.077 0.000 0.287 339 H C 1.044 176.345 175.328 -0.044 0.000 1.112 339 H CA 0.283 56.227 56.048 -0.174 0.000 1.021 339 H CB 0.499 30.066 29.762 -0.325 0.000 1.635 339 H HN 0.200 nan 8.280 nan 0.000 0.559 340 G N -0.361 108.464 108.800 0.041 0.000 2.254 340 G HA2 -0.299 3.703 3.960 0.070 0.000 0.225 340 G HA3 -0.299 3.703 3.960 0.070 0.000 0.225 340 G C 0.194 175.119 174.900 0.041 0.000 1.003 340 G CA 0.047 45.173 45.100 0.045 0.000 0.622 340 G HN 0.233 nan 8.290 nan 0.000 0.507 341 V N 2.385 122.327 119.914 0.046 0.000 2.529 341 V HA 0.318 4.481 4.120 0.070 0.000 0.292 341 V C 0.780 176.806 176.094 -0.115 0.000 1.028 341 V CA 0.471 62.727 62.300 -0.072 0.000 1.074 341 V CB 1.034 32.781 31.823 -0.127 0.000 0.958 341 V HN 0.376 nan 8.190 nan 0.000 0.481 342 K N 4.756 125.054 120.400 -0.170 0.000 2.172 342 K HA 0.571 4.933 4.320 0.070 0.000 0.276 342 K C -1.049 175.411 176.600 -0.233 0.000 1.013 342 K CA -0.195 56.054 56.287 -0.062 0.000 0.913 342 K CB 1.137 33.659 32.500 0.036 0.000 1.055 342 K HN 0.453 nan 8.250 nan 0.000 0.461 343 F N 1.140 121.135 119.950 0.075 0.000 2.467 343 F HA 0.359 4.927 4.527 0.068 0.000 0.336 343 F C 0.141 176.013 175.800 0.121 0.000 1.123 343 F CA -0.863 57.178 58.000 0.070 0.000 0.964 343 F CB 1.798 40.826 39.000 0.047 0.000 1.136 343 F HN 0.481 nan 8.300 nan 0.000 0.447 344 A N 4.955 127.935 122.820 0.267 0.000 2.294 344 A HA 0.502 4.865 4.320 0.070 0.000 0.316 344 A C -0.249 177.486 177.584 0.252 0.000 1.359 344 A CA -0.693 51.532 52.037 0.314 0.000 0.956 344 A CB -0.076 19.065 19.000 0.234 0.000 1.155 344 A HN 0.759 nan 8.150 nan 0.000 0.544 345 K N 1.782 122.375 120.400 0.321 0.000 2.172 345 K HA 0.540 4.902 4.320 0.070 0.000 0.276 345 K C -0.349 176.382 176.600 0.218 0.000 1.013 345 K CA -0.613 55.801 56.287 0.212 0.000 0.913 345 K CB 0.981 33.573 32.500 0.154 0.000 1.055 345 K HN 0.652 nan 8.250 nan 0.000 0.461 346 L N 1.336 122.623 121.223 0.108 0.000 3.713 346 L HA -0.262 4.120 4.340 0.070 0.000 0.499 346 L C -0.680 176.216 176.870 0.042 0.000 1.281 346 L CA -0.137 54.750 54.840 0.077 0.000 0.796 346 L CB -1.524 40.598 42.059 0.104 0.000 1.535 346 L HN 0.730 nan 8.230 nan 0.000 0.851 347 C N 1.081 120.319 119.300 -0.104 0.000 2.686 347 C HA 0.885 5.388 4.460 0.070 0.000 0.318 347 C C -0.004 174.774 174.990 -0.352 0.000 1.160 347 C CA 0.078 58.886 59.018 -0.349 0.000 1.396 347 C CB 1.599 29.017 27.740 -0.537 0.000 1.924 347 C HN 0.383 nan 8.230 nan 0.000 0.471 348 V N 3.510 123.152 119.914 -0.453 0.000 2.876 348 V HA 0.850 5.012 4.120 0.070 0.000 0.312 348 V C -2.816 173.092 176.094 -0.310 0.000 1.085 348 V CA -1.915 60.185 62.300 -0.334 0.000 0.945 348 V CB 1.957 33.626 31.823 -0.257 0.000 1.017 348 V HN 0.787 nan 8.190 nan 0.000 0.428 349 P HA 0.441 nan 4.420 nan 0.000 0.285 349 P C -0.710 176.609 177.300 0.032 0.000 1.259 349 P CA 0.032 63.079 63.100 -0.088 0.000 0.794 349 P CB 1.661 33.352 31.700 -0.016 0.000 0.940 350 D N 1.190 121.645 120.400 0.092 0.000 2.379 350 D HA 0.044 4.726 4.640 0.070 0.000 0.218 350 D C 0.421 176.789 176.300 0.114 0.000 1.006 350 D CA 0.970 55.046 54.000 0.126 0.000 0.893 350 D CB 0.949 41.846 40.800 0.161 0.000 1.019 350 D HN 0.641 nan 8.370 nan 0.000 0.503 351 E N 0.272 120.552 120.200 0.133 0.000 2.388 351 E HA 0.330 4.723 4.350 0.070 0.000 0.282 351 E C -1.336 175.375 176.600 0.185 0.000 1.026 351 E CA -0.722 55.767 56.400 0.148 0.000 0.820 351 E CB 1.446 31.223 29.700 0.128 0.000 1.226 351 E HN -0.248 nan 8.360 nan 0.000 0.432 352 I N 1.448 122.156 120.570 0.230 0.000 2.404 352 I HA 0.476 4.688 4.170 0.070 0.000 0.293 352 I C -0.147 176.145 176.117 0.291 0.000 0.992 352 I CA -0.787 60.673 61.300 0.268 0.000 1.149 352 I CB 1.165 39.381 38.000 0.359 0.000 1.315 352 I HN 0.554 nan 8.210 nan 0.000 0.446 353 K N 5.196 125.687 120.400 0.151 0.000 2.316 353 K HA 0.342 4.704 4.320 0.070 0.000 0.251 353 K C -0.850 175.616 176.600 -0.223 0.000 0.934 353 K CA -0.627 55.683 56.287 0.038 0.000 0.802 353 K CB 2.490 35.020 32.500 0.049 0.000 1.171 353 K HN 0.710 nan 8.250 nan 0.000 0.426 354 Q N 3.877 123.346 119.800 -0.552 0.000 2.286 354 Q HA 0.206 4.588 4.340 0.070 0.000 0.257 354 Q C 0.187 176.026 176.000 -0.268 0.000 0.941 354 Q CA -0.022 55.410 55.803 -0.619 0.000 0.912 354 Q CB 0.868 29.046 28.738 -0.934 0.000 1.192 354 Q HN 0.685 nan 8.270 nan 0.000 0.410 355 L N 2.621 123.730 121.223 -0.190 0.000 2.642 355 L HA 0.397 4.780 4.340 0.070 0.000 0.233 355 L C 0.282 177.092 176.870 -0.099 0.000 1.077 355 L CA 0.127 54.899 54.840 -0.113 0.000 0.879 355 L CB 0.476 42.486 42.059 -0.082 0.000 1.151 355 L HN 0.495 nan 8.230 nan 0.000 0.495 356 K N 0.280 120.610 120.400 -0.116 0.000 2.557 356 K HA 0.419 4.781 4.320 0.070 0.000 0.257 356 K C -1.311 175.228 176.600 -0.103 0.000 0.933 356 K CA -0.512 55.720 56.287 -0.092 0.000 0.820 356 K CB 2.877 35.331 32.500 -0.078 0.000 1.330 356 K HN -0.301 nan 8.250 nan 0.000 0.432 357 V N 3.091 122.957 119.914 -0.080 0.000 2.649 357 V HA 0.131 4.293 4.120 0.070 0.000 0.292 357 V C 0.367 176.396 176.094 -0.108 0.000 1.055 357 V CA -0.795 61.463 62.300 -0.070 0.000 1.023 357 V CB 1.506 33.310 31.823 -0.032 0.000 0.992 357 V HN 0.552 nan 8.190 nan 0.000 0.480 358 V N 3.678 123.503 119.914 -0.148 0.000 2.584 358 V HA -0.061 4.101 4.120 0.070 0.000 0.303 358 V C 0.731 176.724 176.094 -0.168 0.000 1.035 358 V CA 0.409 62.542 62.300 -0.278 0.000 1.172 358 V CB 0.462 32.047 31.823 -0.397 0.000 0.896 358 V HN 0.930 nan 8.190 nan 0.000 0.486 359 D N 4.183 124.485 120.400 -0.163 0.000 2.359 359 D HA 0.022 4.705 4.640 0.070 0.000 0.250 359 D C 1.085 177.366 176.300 -0.031 0.000 1.264 359 D CA 0.303 54.261 54.000 -0.071 0.000 0.911 359 D CB 1.442 42.214 40.800 -0.047 0.000 1.056 359 D HN 0.697 nan 8.370 nan 0.000 0.499 360 T N 2.530 117.084 114.554 0.000 0.000 3.067 360 T HA -0.023 4.370 4.350 0.070 0.000 0.261 360 T C 1.313 176.049 174.700 0.060 0.000 1.110 360 T CA 1.004 63.132 62.100 0.046 0.000 1.113 360 T CB 0.246 69.144 68.868 0.051 0.000 0.917 360 T HN 0.407 nan 8.240 nan 0.000 0.499 361 E N 0.495 120.720 120.200 0.042 0.000 2.102 361 E HA 0.075 4.467 4.350 0.070 0.000 0.190 361 E C 1.550 178.181 176.600 0.051 0.000 0.971 361 E CA 0.698 57.125 56.400 0.044 0.000 0.821 361 E CB 0.070 29.788 29.700 0.031 0.000 0.777 361 E HN 0.539 nan 8.360 nan 0.000 0.460 362 N N 0.914 119.642 118.700 0.047 0.000 2.336 362 N HA 0.037 4.819 4.740 0.070 0.000 0.189 362 N C -0.703 174.856 175.510 0.083 0.000 1.113 362 N CA -0.145 52.937 53.050 0.054 0.000 0.858 362 N CB 0.372 38.881 38.487 0.037 0.000 0.970 362 N HN -0.013 nan 8.380 nan 0.000 0.471 363 N N 1.548 120.311 118.700 0.104 0.000 2.669 363 N HA -0.186 4.596 4.740 0.070 0.000 0.266 363 N C -1.039 174.584 175.510 0.188 0.000 1.024 363 N CA 1.223 54.380 53.050 0.178 0.000 0.766 363 N CB -0.631 37.982 38.487 0.210 0.000 0.898 363 N HN 0.454 nan 8.380 nan 0.000 0.548 364 K N 0.286 120.735 120.400 0.081 0.000 2.328 364 K HA 0.531 4.893 4.320 0.070 0.000 0.246 364 K C -2.315 174.173 176.600 -0.186 0.000 0.955 364 K CA -1.639 54.671 56.287 0.037 0.000 0.817 364 K CB 2.424 34.935 32.500 0.019 0.000 1.208 364 K HN -0.057 nan 8.250 nan 0.000 0.432 365 P HA 0.080 nan 4.420 nan 0.000 0.276 365 P C -0.236 176.900 177.300 -0.273 0.000 1.261 365 P CA -0.258 62.586 63.100 -0.428 0.000 0.800 365 P CB 0.780 32.437 31.700 -0.071 0.000 1.066 366 G N -0.021 108.617 108.800 -0.269 0.000 2.783 366 G HA2 0.485 4.487 3.960 0.070 0.000 0.182 366 G HA3 0.485 4.487 3.960 0.070 0.000 0.182 366 G C -1.143 173.700 174.900 -0.095 0.000 1.516 366 G CA -0.175 44.832 45.100 -0.156 0.000 1.079 366 G HN 0.528 nan 8.290 nan 0.000 0.573 367 L N -1.180 119.992 121.223 -0.085 0.000 2.513 367 L HA 0.675 5.057 4.340 0.070 0.000 0.261 367 L C -1.323 175.504 176.870 -0.071 0.000 0.945 367 L CA -0.456 54.349 54.840 -0.059 0.000 0.848 367 L CB 1.943 43.966 42.059 -0.061 0.000 1.334 367 L HN 0.419 nan 8.230 nan 0.000 0.407 368 L N 4.021 125.230 121.223 -0.022 0.000 2.371 368 L HA 0.638 5.020 4.340 0.070 0.000 0.262 368 L C -1.336 175.558 176.870 0.040 0.000 1.006 368 L CA -0.920 53.911 54.840 -0.014 0.000 0.818 368 L CB 2.203 44.286 42.059 0.041 0.000 1.354 368 L HN 0.531 nan 8.230 nan 0.000 0.415 369 L N 2.494 123.739 121.223 0.037 0.000 2.296 369 L HA 0.624 5.006 4.340 0.070 0.000 0.286 369 L C -0.906 176.063 176.870 0.164 0.000 1.023 369 L CA -0.247 54.641 54.840 0.079 0.000 0.812 369 L CB 1.732 43.812 42.059 0.035 0.000 1.223 369 L HN 0.269 nan 8.230 nan 0.000 0.421 370 V N 5.454 125.530 119.914 0.270 0.000 2.384 370 V HA 0.487 4.650 4.120 0.070 0.000 0.287 370 V C -0.105 176.215 176.094 0.377 0.000 1.020 370 V CA -0.762 61.738 62.300 0.333 0.000 0.850 370 V CB 1.263 33.356 31.823 0.450 0.000 0.987 370 V HN 0.682 nan 8.190 nan 0.000 0.436 371 K N 3.087 123.651 120.400 0.274 0.000 2.182 371 K HA 0.830 5.192 4.320 0.070 0.000 0.262 371 K C 0.218 176.965 176.600 0.245 0.000 0.957 371 K CA -0.406 56.048 56.287 0.278 0.000 0.842 371 K CB 2.417 35.026 32.500 0.181 0.000 1.099 371 K HN 0.884 nan 8.250 nan 0.000 0.438 372 G N 0.961 109.935 108.800 0.290 0.000 2.706 372 G HA2 0.483 4.485 3.960 0.070 0.000 0.307 372 G HA3 0.483 4.485 3.960 0.070 0.000 0.307 372 G C -1.834 173.204 174.900 0.230 0.000 1.307 372 G CA -0.647 44.537 45.100 0.140 0.000 0.790 372 G HN 0.811 nan 8.290 nan 0.000 0.503 373 H N -2.394 116.658 119.070 -0.030 0.000 3.038 373 H HA 0.679 5.277 4.556 0.071 0.000 0.362 373 H C -1.883 173.409 175.328 -0.059 0.000 1.167 373 H CA -1.045 55.021 56.048 0.029 0.000 1.197 373 H CB 1.051 30.857 29.762 0.075 0.000 1.840 373 H HN 0.504 nan 8.280 nan 0.000 0.540 374 Y N 0.534 120.903 120.300 0.115 0.000 2.326 374 Y HA 0.174 4.766 4.550 0.070 0.000 0.324 374 Y C 2.064 178.018 175.900 0.090 0.000 1.291 374 Y CA 0.138 58.270 58.100 0.053 0.000 1.348 374 Y CB 1.430 39.946 38.460 0.093 0.000 1.294 374 Y HN 0.934 nan 8.280 nan 0.000 0.525 375 T N -2.884 111.803 114.554 0.222 0.000 2.803 375 T HA -0.239 4.153 4.350 0.070 0.000 0.269 375 T C 1.109 175.907 174.700 0.163 0.000 1.052 375 T CA 1.606 63.804 62.100 0.163 0.000 1.136 375 T CB -0.365 68.568 68.868 0.108 0.000 0.864 375 T HN 0.788 nan 8.240 nan 0.000 0.467 376 D N 1.333 121.831 120.400 0.163 0.000 2.363 376 D HA 0.176 4.859 4.640 0.070 0.000 0.220 376 D C 1.727 178.098 176.300 0.119 0.000 0.994 376 D CA 0.900 54.966 54.000 0.110 0.000 0.890 376 D CB -0.718 40.119 40.800 0.062 0.000 0.906 376 D HN 0.666 nan 8.370 nan 0.000 0.530 377 G N -0.099 108.809 108.800 0.179 0.000 2.231 377 G HA2 -0.251 3.751 3.960 0.070 0.000 0.206 377 G HA3 -0.251 3.751 3.960 0.070 0.000 0.206 377 G C 0.206 175.216 174.900 0.184 0.000 0.996 377 G CA -0.108 45.088 45.100 0.160 0.000 0.645 377 G HN 0.396 nan 8.290 nan 0.000 0.498 378 K N 1.430 121.955 120.400 0.209 0.000 2.484 378 K HA 0.190 4.553 4.320 0.070 0.000 0.280 378 K C 0.320 177.150 176.600 0.382 0.000 1.013 378 K CA 0.244 56.673 56.287 0.237 0.000 1.029 378 K CB 0.353 32.942 32.500 0.148 0.000 0.902 378 K HN 0.032 nan 8.250 nan 0.000 0.481 379 K N 2.980 123.549 120.400 0.281 0.000 2.270 379 K HA 0.117 4.480 4.320 0.070 0.000 0.276 379 K C -0.223 176.597 176.600 0.367 0.000 1.023 379 K CA -0.168 56.295 56.287 0.293 0.000 0.955 379 K CB 0.419 33.028 32.500 0.182 0.000 0.975 379 K HN 0.428 nan 8.250 nan 0.000 0.471 380 F N 1.551 121.600 119.950 0.165 0.000 2.410 380 F HA 0.206 4.775 4.527 0.070 0.000 0.349 380 F C -0.000 175.859 175.800 0.099 0.000 1.117 380 F CA -0.264 57.806 58.000 0.117 0.000 1.104 380 F CB 0.966 39.882 39.000 -0.140 0.000 1.122 380 F HN 0.504 nan 8.300 nan 0.000 0.483 381 E N 5.723 125.777 120.200 -0.245 0.000 2.294 381 E HA 0.253 4.645 4.350 0.070 0.000 0.272 381 E C -1.704 174.701 176.600 -0.325 0.000 0.896 381 E CA -0.488 55.850 56.400 -0.102 0.000 0.802 381 E CB 1.389 31.080 29.700 -0.016 0.000 1.267 381 E HN 0.818 nan 8.360 nan 0.000 0.406 382 E N 3.049 123.133 120.200 -0.194 0.000 2.375 382 E HA 0.219 4.611 4.350 0.070 0.000 0.280 382 E C -1.401 175.030 176.600 -0.281 0.000 0.972 382 E CA -0.586 55.618 56.400 -0.328 0.000 0.782 382 E CB 1.556 30.923 29.700 -0.556 0.000 1.229 382 E HN 0.382 nan 8.360 nan 0.000 0.439 383 E N 2.182 122.117 120.200 -0.442 0.000 2.259 383 E HA 0.371 4.763 4.350 0.070 0.000 0.281 383 E C -1.102 175.101 176.600 -0.662 0.000 1.027 383 E CA -0.171 56.019 56.400 -0.350 0.000 0.838 383 E CB 0.910 30.477 29.700 -0.222 0.000 1.066 383 E HN 0.194 nan 8.360 nan 0.000 0.401 384 F N 0.559 120.504 119.950 -0.008 0.000 2.565 384 F HA 0.210 4.779 4.527 0.070 0.000 0.313 384 F C 1.210 176.984 175.800 -0.043 0.000 1.091 384 F CA -0.689 57.297 58.000 -0.025 0.000 0.915 384 F CB 1.636 40.619 39.000 -0.028 0.000 1.208 384 F HN 0.444 nan 8.300 nan 0.000 0.453 385 E N 0.159 120.437 120.200 0.129 0.000 2.152 385 E HA 0.007 4.400 4.350 0.070 0.000 0.192 385 E C -0.144 176.479 176.600 0.037 0.000 0.983 385 E CA 1.004 57.432 56.400 0.048 0.000 0.818 385 E CB 0.203 29.920 29.700 0.029 0.000 0.758 385 E HN 0.460 nan 8.360 nan 0.000 0.467 386 T N 0.554 115.125 114.554 0.029 0.000 2.971 386 T HA 0.368 4.760 4.350 0.070 0.000 0.304 386 T C -0.952 173.672 174.700 -0.127 0.000 1.038 386 T CA -0.584 61.494 62.100 -0.036 0.000 1.007 386 T CB 2.494 71.300 68.868 -0.104 0.000 1.055 386 T HN -0.238 nan 8.240 nan 0.000 0.451 387 V N 4.589 124.404 119.914 -0.166 0.000 2.384 387 V HA 0.527 4.689 4.120 0.070 0.000 0.287 387 V C -0.330 175.492 176.094 -0.454 0.000 1.020 387 V CA -0.732 61.349 62.300 -0.364 0.000 0.850 387 V CB 1.269 32.875 31.823 -0.361 0.000 0.987 387 V HN 0.764 nan 8.190 nan 0.000 0.436 388 I N 5.248 125.507 120.570 -0.518 0.000 2.362 388 I HA 0.428 4.640 4.170 0.070 0.000 0.289 388 I C -0.816 174.986 176.117 -0.526 0.000 0.994 388 I CA -0.311 60.730 61.300 -0.432 0.000 1.158 388 I CB 1.309 39.116 38.000 -0.322 0.000 1.315 388 I HN 0.397 nan 8.210 nan 0.000 0.451 389 F N 4.931 124.769 119.950 -0.187 0.000 2.424 389 F HA 0.494 5.063 4.527 0.070 0.000 0.356 389 F C 0.729 176.413 175.800 -0.194 0.000 1.110 389 F CA -0.427 57.448 58.000 -0.208 0.000 1.161 389 F CB 1.277 40.102 39.000 -0.291 0.000 1.115 389 F HN 0.483 nan 8.300 nan 0.000 0.507 390 A N 3.018 125.856 122.820 0.031 0.000 3.317 390 A HA 0.536 4.898 4.320 0.070 0.000 0.307 390 A C -0.273 177.338 177.584 0.045 0.000 1.003 390 A CA -0.403 51.644 52.037 0.017 0.000 0.882 390 A CB -0.125 18.870 19.000 -0.008 0.000 1.136 390 A HN 0.696 nan 8.150 nan 0.000 0.488 391 V N -1.502 118.441 119.914 0.047 0.000 2.887 391 V HA 0.690 4.853 4.120 0.070 0.000 0.370 391 V C 0.524 176.641 176.094 0.038 0.000 1.322 391 V CA 0.029 62.356 62.300 0.044 0.000 1.267 391 V CB -0.868 30.977 31.823 0.036 0.000 1.344 391 V HN 1.950 nan 8.190 nan 0.000 0.573 392 G N 0.898 109.732 108.800 0.056 0.000 2.612 392 G HA2 0.004 4.006 3.960 0.070 0.000 0.686 392 G HA3 0.004 4.006 3.960 0.070 0.000 0.686 392 G C -0.801 174.132 174.900 0.055 0.000 1.274 392 G CA -0.768 44.371 45.100 0.065 0.000 0.849 392 G HN 0.635 nan 8.290 nan 0.000 0.595 393 R N 0.108 120.648 120.500 0.066 0.000 2.744 393 R HA 0.646 5.028 4.340 0.070 0.000 0.279 393 R C -0.332 176.003 176.300 0.059 0.000 0.977 393 R CA -0.752 55.386 56.100 0.064 0.000 0.906 393 R CB 2.221 32.565 30.300 0.075 0.000 1.197 393 R HN 0.854 nan 8.270 nan 0.000 0.463 394 E N 2.333 122.568 120.200 0.059 0.000 2.317 394 E HA 0.505 4.897 4.350 0.070 0.000 0.270 394 E C -2.793 173.839 176.600 0.053 0.000 0.885 394 E CA -2.412 54.019 56.400 0.051 0.000 0.760 394 E CB 2.650 32.377 29.700 0.046 0.000 1.227 394 E HN 0.164 nan 8.360 nan 0.000 0.434 395 P HA 0.033 nan 4.420 nan 0.000 0.274 395 P C -0.467 176.858 177.300 0.042 0.000 1.246 395 P CA -0.249 62.877 63.100 0.042 0.000 0.795 395 P CB 0.642 32.361 31.700 0.031 0.000 1.006 396 Q N 0.651 120.476 119.800 0.043 0.000 2.155 396 Q HA 0.352 4.734 4.340 0.070 0.000 0.273 396 Q C -0.005 176.017 176.000 0.036 0.000 0.857 396 Q CA -0.128 55.701 55.803 0.043 0.000 1.116 396 Q CB 0.373 29.143 28.738 0.053 0.000 1.209 396 Q HN 0.473 nan 8.270 nan 0.000 0.460 397 L N -0.362 120.878 121.223 0.028 0.000 2.298 397 L HA 0.571 4.953 4.340 0.070 0.000 0.268 397 L C 0.235 177.114 176.870 0.015 0.000 1.010 397 L CA -0.918 53.935 54.840 0.021 0.000 0.812 397 L CB 1.686 43.755 42.059 0.016 0.000 1.331 397 L HN -0.107 nan 8.230 nan 0.000 0.450 398 S N -0.776 114.930 115.700 0.010 0.000 2.530 398 S HA 0.269 4.782 4.470 0.070 0.000 0.322 398 S C 0.590 175.192 174.600 0.002 0.000 1.085 398 S CA -0.691 57.513 58.200 0.006 0.000 1.096 398 S CB 1.050 64.254 63.200 0.005 0.000 0.988 398 S HN 0.576 nan 8.310 nan 0.000 0.466 399 K N 2.520 122.921 120.400 0.002 0.000 2.113 399 K HA -0.132 4.230 4.320 0.070 0.000 0.208 399 K C 1.879 178.478 176.600 -0.003 0.000 1.047 399 K CA 1.946 58.233 56.287 -0.001 0.000 0.928 399 K CB -0.371 32.128 32.500 -0.001 0.000 0.716 399 K HN 0.662 nan 8.250 nan 0.000 0.446 400 V N -1.697 118.216 119.914 -0.002 0.000 2.426 400 V HA -0.081 4.081 4.120 0.070 0.000 0.242 400 V C 1.914 178.006 176.094 -0.003 0.000 1.036 400 V CA 0.764 63.063 62.300 -0.003 0.000 1.044 400 V CB -0.549 31.273 31.823 -0.002 0.000 0.688 400 V HN -0.021 nan 8.190 nan 0.000 0.462 401 L N 0.442 121.664 121.223 -0.002 0.000 2.083 401 L HA -0.066 4.316 4.340 0.070 0.000 0.209 401 L C 2.699 179.566 176.870 -0.004 0.000 1.083 401 L CA 1.824 56.662 54.840 -0.002 0.000 0.752 401 L CB -1.540 40.518 42.059 -0.000 0.000 0.899 401 L HN 0.444 nan 8.230 nan 0.000 0.433 402 C N -0.011 119.287 119.300 -0.005 0.000 2.446 402 C HA -0.123 4.380 4.460 0.070 0.000 0.277 402 C C 2.677 177.659 174.990 -0.013 0.000 1.275 402 C CA 0.816 59.830 59.018 -0.008 0.000 1.727 402 C CB -0.834 26.902 27.740 -0.006 0.000 2.010 402 C HN 0.687 nan 8.230 nan 0.000 0.486 403 E N 0.310 120.503 120.200 -0.011 0.000 2.208 403 E HA -0.189 4.203 4.350 0.070 0.000 0.193 403 E C 1.860 178.453 176.600 -0.011 0.000 0.988 403 E CA 1.596 57.988 56.400 -0.012 0.000 0.828 403 E CB -0.654 29.040 29.700 -0.010 0.000 0.763 403 E HN 0.567 nan 8.360 nan 0.000 0.478 404 T N 0.085 114.634 114.554 -0.009 0.000 2.951 404 T HA -0.029 4.363 4.350 0.070 0.000 0.268 404 T C 1.787 176.482 174.700 -0.008 0.000 1.073 404 T CA 0.970 63.066 62.100 -0.007 0.000 1.134 404 T CB -0.072 68.794 68.868 -0.004 0.000 0.884 404 T HN 0.106 nan 8.240 nan 0.000 0.479 405 V N 0.402 120.309 119.914 -0.012 0.000 3.306 405 V HA 0.337 4.500 4.120 0.070 0.000 0.264 405 V C 2.117 178.196 176.094 -0.025 0.000 1.149 405 V CA 0.834 63.124 62.300 -0.017 0.000 1.143 405 V CB -0.522 31.289 31.823 -0.020 0.000 0.767 405 V HN 0.769 nan 8.190 nan 0.000 0.476 406 G N -0.069 108.716 108.800 -0.024 0.000 2.163 406 G HA2 -0.197 3.805 3.960 0.070 0.000 0.213 406 G HA3 -0.197 3.805 3.960 0.070 0.000 0.213 406 G C 0.120 174.998 174.900 -0.038 0.000 0.991 406 G CA -0.042 45.041 45.100 -0.029 0.000 0.653 406 G HN 0.349 nan 8.290 nan 0.000 0.518 407 V N 2.151 122.042 119.914 -0.038 0.000 2.427 407 V HA 0.359 4.521 4.120 0.070 0.000 0.268 407 V C 0.921 176.996 176.094 -0.032 0.000 1.046 407 V CA -0.299 61.976 62.300 -0.043 0.000 0.970 407 V CB 1.492 33.291 31.823 -0.041 0.000 1.001 407 V HN 0.351 nan 8.190 nan 0.000 0.476 408 K N 5.883 126.262 120.400 -0.034 0.000 2.276 408 K HA 0.515 4.877 4.320 0.070 0.000 0.283 408 K C -0.943 175.643 176.600 -0.024 0.000 1.044 408 K CA -0.411 55.860 56.287 -0.027 0.000 0.944 408 K CB 0.674 33.158 32.500 -0.027 0.000 1.012 408 K HN 0.573 nan 8.250 nan 0.000 0.472 409 L N 2.844 124.056 121.223 -0.017 0.000 2.322 409 L HA 0.325 4.707 4.340 0.070 0.000 0.269 409 L C 0.292 177.154 176.870 -0.013 0.000 1.012 409 L CA -1.178 53.654 54.840 -0.014 0.000 0.815 409 L CB 1.501 43.556 42.059 -0.008 0.000 1.295 409 L HN 0.797 nan 8.230 nan 0.000 0.438 410 D N -0.061 120.331 120.400 -0.012 0.000 2.478 410 D HA 0.127 4.809 4.640 0.070 0.000 0.274 410 D C 0.650 176.946 176.300 -0.008 0.000 1.234 410 D CA -0.464 53.529 54.000 -0.012 0.000 1.069 410 D CB 0.679 41.470 40.800 -0.015 0.000 1.113 410 D HN 0.315 nan 8.370 nan 0.000 0.571 411 K N -0.831 119.565 120.400 -0.007 0.000 2.113 411 K HA -0.153 4.209 4.320 0.070 0.000 0.208 411 K C 1.253 177.853 176.600 -0.001 0.000 1.047 411 K CA 1.626 57.911 56.287 -0.004 0.000 0.928 411 K CB -0.397 32.100 32.500 -0.005 0.000 0.716 411 K HN 0.446 nan 8.250 nan 0.000 0.446 412 N N -0.929 117.770 118.700 -0.001 0.000 2.398 412 N HA 0.038 4.820 4.740 0.070 0.000 0.188 412 N C 0.570 176.085 175.510 0.007 0.000 1.122 412 N CA 0.373 53.426 53.050 0.004 0.000 0.866 412 N CB 0.947 39.437 38.487 0.005 0.000 0.970 412 N HN 0.281 nan 8.380 nan 0.000 0.462 413 G N 0.954 109.756 108.800 0.004 0.000 2.143 413 G HA2 -0.310 3.693 3.960 0.070 0.000 0.249 413 G HA3 -0.310 3.693 3.960 0.070 0.000 0.249 413 G C 0.080 174.983 174.900 0.005 0.000 0.981 413 G CA -0.283 44.820 45.100 0.006 0.000 0.665 413 G HN 0.269 nan 8.290 nan 0.000 0.528 414 R N -0.490 120.010 120.500 0.001 0.000 2.500 414 R HA 0.535 4.917 4.340 0.070 0.000 0.277 414 R C 0.408 176.702 176.300 -0.009 0.000 1.026 414 R CA -0.646 55.453 56.100 -0.002 0.000 1.058 414 R CB 1.452 31.748 30.300 -0.006 0.000 1.078 414 R HN 0.067 nan 8.270 nan 0.000 0.509 415 V N 3.303 123.211 119.914 -0.010 0.000 2.508 415 V HA 0.060 4.222 4.120 0.070 0.000 0.281 415 V C 0.248 176.326 176.094 -0.026 0.000 1.041 415 V CA -0.394 61.896 62.300 -0.016 0.000 1.016 415 V CB 1.211 33.027 31.823 -0.011 0.000 0.984 415 V HN 0.431 nan 8.190 nan 0.000 0.478 416 V N 5.024 124.920 119.914 -0.030 0.000 2.455 416 V HA 0.246 4.408 4.120 0.070 0.000 0.273 416 V C 0.251 176.322 176.094 -0.038 0.000 1.045 416 V CA -0.086 62.193 62.300 -0.034 0.000 0.976 416 V CB 0.555 32.359 31.823 -0.031 0.000 0.993 416 V HN 1.030 nan 8.190 nan 0.000 0.475 417 C N 3.375 122.653 119.300 -0.037 0.000 2.889 417 C HA 0.724 5.226 4.460 0.070 0.000 0.307 417 C C 0.885 175.866 174.990 -0.016 0.000 1.251 417 C CA -0.604 58.397 59.018 -0.028 0.000 1.593 417 C CB 2.108 29.843 27.740 -0.009 0.000 2.104 417 C HN 0.980 nan 8.230 nan 0.000 0.476 418 T N -1.441 113.113 114.554 0.001 0.000 2.732 418 T HA 0.147 4.539 4.350 0.070 0.000 0.287 418 T C 0.482 175.218 174.700 0.060 0.000 0.993 418 T CA 0.044 62.159 62.100 0.025 0.000 0.966 418 T CB 0.330 69.218 68.868 0.034 0.000 1.047 418 T HN 0.616 nan 8.240 nan 0.000 0.527 419 D N 0.526 120.973 120.400 0.079 0.000 2.378 419 D HA 0.015 4.697 4.640 0.070 0.000 0.227 419 D C 1.007 177.409 176.300 0.169 0.000 1.012 419 D CA 0.581 54.658 54.000 0.128 0.000 0.905 419 D CB -0.142 40.726 40.800 0.115 0.000 0.895 419 D HN 0.778 nan 8.370 nan 0.000 0.532 420 D N -0.229 120.264 120.400 0.153 0.000 2.559 420 D HA 0.037 4.719 4.640 0.070 0.000 0.234 420 D C -0.001 176.453 176.300 0.257 0.000 1.226 420 D CA -0.208 53.902 54.000 0.183 0.000 0.830 420 D CB 0.245 41.137 40.800 0.154 0.000 1.028 420 D HN -0.204 nan 8.370 nan 0.000 0.492 421 E N -0.748 119.590 120.200 0.229 0.000 3.496 421 E HA -0.250 4.142 4.350 0.070 0.000 0.300 421 E C -0.052 176.696 176.600 0.247 0.000 0.877 421 E CA 0.715 57.265 56.400 0.249 0.000 1.050 421 E CB -1.895 27.973 29.700 0.279 0.000 1.532 421 E HN 0.598 nan 8.360 nan 0.000 0.447 422 Q N 1.017 120.879 119.800 0.104 0.000 2.304 422 Q HA 0.291 4.673 4.340 0.070 0.000 0.260 422 Q C 0.517 176.393 176.000 -0.207 0.000 0.965 422 Q CA 0.501 56.127 55.803 -0.296 0.000 0.898 422 Q CB 0.756 29.341 28.738 -0.254 0.000 1.196 422 Q HN 0.323 nan 8.270 nan 0.000 0.402 423 T N -0.553 113.833 114.554 -0.280 0.000 2.771 423 T HA 0.110 4.502 4.350 0.070 0.000 0.290 423 T C 1.278 175.885 174.700 -0.154 0.000 1.005 423 T CA 0.031 62.032 62.100 -0.165 0.000 0.944 423 T CB 0.752 69.534 68.868 -0.143 0.000 1.147 423 T HN 0.731 nan 8.240 nan 0.000 0.534 424 T N -1.832 112.660 114.554 -0.104 0.000 3.163 424 T HA 0.121 4.513 4.350 0.070 0.000 0.260 424 T C 0.555 175.198 174.700 -0.094 0.000 1.156 424 T CA -0.126 61.923 62.100 -0.084 0.000 1.072 424 T CB -0.545 68.289 68.868 -0.057 0.000 0.937 424 T HN 0.416 nan 8.240 nan 0.000 0.528 425 V N 2.037 121.877 119.914 -0.124 0.000 2.370 425 V HA 0.292 4.455 4.120 0.070 0.000 0.283 425 V C 1.030 177.007 176.094 -0.194 0.000 1.023 425 V CA -0.550 61.670 62.300 -0.133 0.000 0.857 425 V CB 1.542 33.290 31.823 -0.125 0.000 0.985 425 V HN 0.323 nan 8.190 nan 0.000 0.443 426 S N 3.094 118.700 115.700 -0.157 0.000 2.453 426 S HA -0.102 4.411 4.470 0.070 0.000 0.231 426 S C 1.602 176.079 174.600 -0.205 0.000 1.005 426 S CA 1.172 59.268 58.200 -0.172 0.000 0.949 426 S CB -0.192 62.963 63.200 -0.074 0.000 0.774 426 S HN 0.961 nan 8.310 nan 0.000 0.510 427 N N 0.918 119.524 118.700 -0.157 0.000 2.280 427 N HA 0.026 4.808 4.740 0.070 0.000 0.192 427 N C -0.233 175.244 175.510 -0.055 0.000 1.109 427 N CA 0.107 53.131 53.050 -0.044 0.000 0.855 427 N CB 0.213 38.663 38.487 -0.061 0.000 0.974 427 N HN 0.154 nan 8.380 nan 0.000 0.482 428 V N 1.675 121.431 119.914 -0.262 0.000 2.417 428 V HA 0.401 4.564 4.120 0.070 0.000 0.291 428 V C -1.002 174.859 176.094 -0.389 0.000 1.024 428 V CA -0.689 61.505 62.300 -0.176 0.000 0.861 428 V CB 0.678 32.414 31.823 -0.145 0.000 0.985 428 V HN 0.039 nan 8.190 nan 0.000 0.436 429 Y N 1.963 122.254 120.300 -0.016 0.000 2.562 429 Y HA 0.826 5.418 4.550 0.070 0.000 0.343 429 Y C 0.288 176.192 175.900 0.007 0.000 1.025 429 Y CA -0.885 57.215 58.100 -0.001 0.000 1.082 429 Y CB 2.214 40.679 38.460 0.008 0.000 1.264 429 Y HN 0.682 nan 8.280 nan 0.000 0.478 430 A N 2.725 125.640 122.820 0.159 0.000 2.374 430 A HA 0.846 5.208 4.320 0.070 0.000 0.305 430 A C -1.081 176.569 177.584 0.110 0.000 1.053 430 A CA -0.603 51.493 52.037 0.100 0.000 0.726 430 A CB 0.641 19.668 19.000 0.045 0.000 1.229 430 A HN 0.734 nan 8.150 nan 0.000 0.431 431 I N -0.668 119.958 120.570 0.094 0.000 3.145 431 I HA 0.949 5.162 4.170 0.070 0.000 0.313 431 I C 0.560 176.720 176.117 0.071 0.000 1.122 431 I CA -0.316 61.042 61.300 0.096 0.000 0.987 431 I CB 1.970 40.029 38.000 0.097 0.000 1.236 431 I HN 1.700 nan 8.210 nan 0.000 0.453 432 G N 2.786 111.634 108.800 0.079 0.000 2.539 432 G HA2 -0.251 3.751 3.960 0.070 0.000 0.256 432 G HA3 -0.251 3.751 3.960 0.070 0.000 0.256 432 G C 0.093 175.022 174.900 0.048 0.000 1.233 432 G CA 0.592 45.729 45.100 0.062 0.000 0.936 432 G HN 0.815 nan 8.290 nan 0.000 0.571 433 D N 0.507 120.932 120.400 0.043 0.000 2.263 433 D HA -0.074 4.609 4.640 0.070 0.000 0.208 433 D C 2.482 178.798 176.300 0.028 0.000 0.971 433 D CA 1.576 55.599 54.000 0.038 0.000 0.867 433 D CB -0.222 40.605 40.800 0.045 0.000 0.929 433 D HN 0.709 nan 8.370 nan 0.000 0.492 434 I N -2.124 118.463 120.570 0.028 0.000 3.251 434 I HA 0.028 4.240 4.170 0.070 0.000 0.277 434 I C 0.714 176.834 176.117 0.005 0.000 1.268 434 I CA -0.075 61.237 61.300 0.020 0.000 1.449 434 I CB -0.266 37.750 38.000 0.026 0.000 1.083 434 I HN -0.266 nan 8.210 nan 0.000 0.464 435 N N 3.383 122.082 118.700 -0.002 0.000 2.406 435 N HA 0.167 4.949 4.740 0.070 0.000 0.265 435 N C 0.030 175.502 175.510 -0.063 0.000 1.203 435 N CA 0.307 53.339 53.050 -0.030 0.000 0.945 435 N CB 0.860 39.327 38.487 -0.034 0.000 1.165 435 N HN 0.408 nan 8.380 nan 0.000 0.485 436 A N 2.680 125.467 122.820 -0.055 0.000 2.565 436 A HA 0.396 4.758 4.320 0.070 0.000 0.237 436 A C 1.499 179.027 177.584 -0.094 0.000 1.053 436 A CA 0.642 52.645 52.037 -0.058 0.000 0.755 436 A CB -0.432 18.542 19.000 -0.044 0.000 0.980 436 A HN 1.130 nan 8.150 nan 0.000 0.506 437 G N 1.411 110.161 108.800 -0.082 0.000 2.234 437 G HA2 -0.221 3.781 3.960 0.070 0.000 0.260 437 G HA3 -0.221 3.781 3.960 0.070 0.000 0.260 437 G C 0.308 175.124 174.900 -0.140 0.000 0.987 437 G CA 0.678 45.718 45.100 -0.099 0.000 0.625 437 G HN 0.781 nan 8.290 nan 0.000 0.532 438 K N 1.146 121.436 120.400 -0.183 0.000 2.144 438 K HA 0.541 4.903 4.320 0.070 0.000 0.270 438 K C -2.393 174.170 176.600 -0.061 0.000 1.005 438 K CA -2.357 53.789 56.287 -0.235 0.000 0.932 438 K CB 0.520 32.780 32.500 -0.400 0.000 1.021 438 K HN 0.060 nan 8.250 nan 0.000 0.462 439 P HA 0.052 nan 4.420 nan 0.000 0.264 439 P C -0.725 176.624 177.300 0.081 0.000 1.193 439 P CA 0.092 63.230 63.100 0.063 0.000 0.763 439 P CB 0.313 32.073 31.700 0.099 0.000 0.810 440 Q N 2.841 122.692 119.800 0.086 0.000 2.681 440 Q HA 0.374 4.756 4.340 0.070 0.000 0.222 440 Q C -0.413 175.637 176.000 0.084 0.000 1.258 440 Q CA -0.052 55.801 55.803 0.082 0.000 1.014 440 Q CB 0.038 28.826 28.738 0.085 0.000 1.384 440 Q HN 0.431 nan 8.270 nan 0.000 0.570 441 L N -0.522 120.745 121.223 0.073 0.000 2.376 441 L HA 0.382 4.764 4.340 0.070 0.000 0.258 441 L C 1.051 177.943 176.870 0.037 0.000 1.013 441 L CA -0.620 54.253 54.840 0.055 0.000 0.822 441 L CB 2.121 44.222 42.059 0.071 0.000 1.388 441 L HN 0.267 nan 8.230 nan 0.000 0.413 442 T N 0.590 115.156 114.554 0.019 0.000 2.701 442 T HA -0.039 4.354 4.350 0.070 0.000 0.263 442 T C -1.227 173.475 174.700 0.003 0.000 1.040 442 T CA 1.641 63.744 62.100 0.006 0.000 1.147 442 T CB -0.566 68.298 68.868 -0.006 0.000 0.865 442 T HN 0.467 nan 8.240 nan 0.000 0.426 443 P HA 0.045 nan 4.420 nan 0.000 0.222 443 P C 1.417 178.693 177.300 -0.041 0.000 1.147 443 P CA 0.437 63.526 63.100 -0.018 0.000 0.790 443 P CB -0.164 31.529 31.700 -0.013 0.000 0.780 444 V N 0.442 120.350 119.914 -0.009 0.000 2.283 444 V HA -0.193 3.969 4.120 0.070 0.000 0.243 444 V C 2.546 178.648 176.094 0.012 0.000 1.039 444 V CA 2.155 64.453 62.300 -0.002 0.000 1.016 444 V CB -1.649 30.230 31.823 0.094 0.000 0.650 444 V HN 0.094 nan 8.190 nan 0.000 0.449 445 A N -0.042 122.800 122.820 0.037 0.000 1.908 445 A HA -0.209 4.153 4.320 0.070 0.000 0.218 445 A C 2.174 179.760 177.584 0.003 0.000 1.181 445 A CA 2.088 54.148 52.037 0.037 0.000 0.627 445 A CB -0.586 18.432 19.000 0.030 0.000 0.818 445 A HN 0.521 nan 8.150 nan 0.000 0.445 446 I N -1.112 119.446 120.570 -0.020 0.000 2.202 446 I HA -0.282 3.930 4.170 0.070 0.000 0.242 446 I C 2.793 178.869 176.117 -0.068 0.000 1.091 446 I CA 1.852 63.134 61.300 -0.030 0.000 1.368 446 I CB -0.369 37.616 38.000 -0.024 0.000 1.058 446 I HN 0.465 nan 8.210 nan 0.000 0.410 447 Q N 1.234 120.946 119.800 -0.147 0.000 2.084 447 Q HA -0.203 4.179 4.340 0.070 0.000 0.202 447 Q C 2.193 178.003 176.000 -0.315 0.000 0.978 447 Q CA 2.284 57.885 55.803 -0.336 0.000 0.844 447 Q CB -0.221 28.242 28.738 -0.458 0.000 0.898 447 Q HN 0.494 nan 8.270 nan 0.000 0.426 448 A N -0.037 122.685 122.820 -0.164 0.000 1.883 448 A HA -0.100 4.263 4.320 0.070 0.000 0.217 448 A C 2.308 179.913 177.584 0.035 0.000 1.186 448 A CA 1.711 53.727 52.037 -0.036 0.000 0.624 448 A CB -1.515 17.541 19.000 0.095 0.000 0.822 448 A HN 0.590 nan 8.150 nan 0.000 0.444 449 G N -0.739 108.079 108.800 0.030 0.000 2.421 449 G HA2 -0.214 3.788 3.960 0.070 0.000 0.216 449 G HA3 -0.214 3.788 3.960 0.070 0.000 0.216 449 G C 1.792 176.743 174.900 0.084 0.000 1.171 449 G CA 0.889 46.020 45.100 0.052 0.000 0.775 449 G HN 0.561 nan 8.290 nan 0.000 0.543 450 R N -1.071 119.486 120.500 0.095 0.000 2.075 450 R HA -0.026 4.356 4.340 0.070 0.000 0.232 450 R C 2.379 178.846 176.300 0.279 0.000 1.126 450 R CA 1.141 57.346 56.100 0.175 0.000 0.963 450 R CB -0.441 29.960 30.300 0.169 0.000 0.858 450 R HN 0.363 nan 8.270 nan 0.000 0.435 451 Y N 0.781 121.082 120.300 0.002 0.000 2.200 451 Y HA -0.169 4.424 4.550 0.072 0.000 0.290 451 Y C 2.150 178.024 175.900 -0.042 0.000 1.137 451 Y CA 0.523 58.611 58.100 -0.020 0.000 1.163 451 Y CB -0.735 37.702 38.460 -0.039 0.000 0.988 451 Y HN 0.026 nan 8.280 nan 0.000 0.518 452 L N 0.257 121.551 121.223 0.118 0.000 2.017 452 L HA -0.118 4.264 4.340 0.070 0.000 0.208 452 L C 2.339 179.157 176.870 -0.087 0.000 1.073 452 L CA 2.134 56.953 54.840 -0.035 0.000 0.745 452 L CB -1.218 40.804 42.059 -0.061 0.000 0.894 452 L HN 0.096 nan 8.230 nan 0.000 0.432 453 A N -0.431 122.412 122.820 0.038 0.000 1.902 453 A HA -0.218 4.144 4.320 0.070 0.000 0.217 453 A C 2.427 180.067 177.584 0.093 0.000 1.181 453 A CA 1.808 53.935 52.037 0.149 0.000 0.623 453 A CB -0.546 18.616 19.000 0.270 0.000 0.818 453 A HN 0.522 nan 8.150 nan 0.000 0.443 454 R N -0.760 119.758 120.500 0.030 0.000 2.081 454 R HA -0.070 4.312 4.340 0.070 0.000 0.235 454 R C 2.494 178.665 176.300 -0.216 0.000 1.131 454 R CA 1.434 57.446 56.100 -0.147 0.000 0.960 454 R CB -0.274 29.959 30.300 -0.112 0.000 0.856 454 R HN 0.502 nan 8.270 nan 0.000 0.436 455 R N 0.535 120.930 120.500 -0.175 0.000 2.073 455 R HA -0.104 4.278 4.340 0.070 0.000 0.234 455 R C 2.375 178.498 176.300 -0.295 0.000 1.134 455 R CA 1.327 57.314 56.100 -0.189 0.000 0.952 455 R CB -0.484 29.731 30.300 -0.142 0.000 0.850 455 R HN 0.204 nan 8.270 nan 0.000 0.433 456 L N -0.692 120.263 121.223 -0.447 0.000 2.046 456 L HA -0.135 4.248 4.340 0.070 0.000 0.208 456 L C 1.519 177.905 176.870 -0.807 0.000 1.077 456 L CA 1.334 55.705 54.840 -0.783 0.000 0.747 456 L CB -0.105 41.175 42.059 -1.298 0.000 0.896 456 L HN 0.137 nan 8.230 nan 0.000 0.432 457 F N -1.995 117.863 119.950 -0.153 0.000 2.728 457 F HA 0.326 4.895 4.527 0.070 0.000 0.314 457 F C 1.502 177.133 175.800 -0.283 0.000 1.094 457 F CA 0.198 58.119 58.000 -0.132 0.000 1.217 457 F CB 0.068 39.077 39.000 0.015 0.000 1.056 457 F HN -0.131 nan 8.300 nan 0.000 0.577 458 A N -0.622 121.998 122.820 -0.334 0.000 2.585 458 A HA 0.570 4.932 4.320 0.070 0.000 0.266 458 A C 1.700 179.123 177.584 -0.269 0.000 1.178 458 A CA 0.383 52.125 52.037 -0.493 0.000 0.966 458 A CB -0.581 17.755 19.000 -1.107 0.000 1.170 458 A HN 0.478 nan 8.150 nan 0.000 0.558 459 G N -0.437 108.238 108.800 -0.209 0.000 2.168 459 G HA2 0.036 4.038 3.960 0.070 0.000 0.257 459 G HA3 0.036 4.038 3.960 0.070 0.000 0.257 459 G C 0.643 175.629 174.900 0.144 0.000 0.997 459 G CA 0.616 45.663 45.100 -0.088 0.000 0.708 459 G HN 1.697 nan 8.290 nan 0.000 0.520 460 A N -0.836 121.971 122.820 -0.022 0.000 2.366 460 A HA 0.715 5.078 4.320 0.070 0.000 0.250 460 A C 1.585 179.195 177.584 0.045 0.000 1.099 460 A CA 1.476 53.500 52.037 -0.021 0.000 0.794 460 A CB 0.341 19.249 19.000 -0.155 0.000 1.056 460 A HN 1.502 nan 8.150 nan 0.000 0.499 461 T N -2.460 112.093 114.554 -0.002 0.000 2.958 461 T HA 0.204 4.597 4.350 0.070 0.000 0.256 461 T C 0.361 175.038 174.700 -0.038 0.000 0.983 461 T CA 0.367 62.481 62.100 0.023 0.000 0.924 461 T CB -0.201 68.678 68.868 0.018 0.000 1.136 461 T HN 0.602 nan 8.240 nan 0.000 0.506 462 E N 1.826 121.949 120.200 -0.128 0.000 2.351 462 E HA 0.345 4.737 4.350 0.070 0.000 0.266 462 E C -0.629 175.940 176.600 -0.052 0.000 1.031 462 E CA -0.397 55.911 56.400 -0.153 0.000 0.911 462 E CB -0.011 29.467 29.700 -0.370 0.000 0.986 462 E HN 0.158 nan 8.360 nan 0.000 0.446 463 L N 3.761 125.016 121.223 0.053 0.000 2.418 463 L HA 0.273 4.656 4.340 0.070 0.000 0.265 463 L C 0.468 177.452 176.870 0.191 0.000 1.143 463 L CA 0.090 55.004 54.840 0.123 0.000 0.809 463 L CB 1.220 43.337 42.059 0.096 0.000 1.124 463 L HN 0.537 nan 8.230 nan 0.000 0.456 464 T N 1.436 116.046 114.554 0.093 0.000 2.870 464 T HA 0.052 4.444 4.350 0.070 0.000 0.300 464 T C -0.245 174.259 174.700 -0.327 0.000 0.989 464 T CA -0.171 61.798 62.100 -0.218 0.000 1.139 464 T CB 0.111 68.644 68.868 -0.559 0.000 0.920 464 T HN 0.408 nan 8.240 nan 0.000 0.537 465 D N 2.060 122.300 120.400 -0.267 0.000 2.347 465 D HA 0.132 4.814 4.640 0.070 0.000 0.235 465 D C -0.148 176.010 176.300 -0.236 0.000 1.149 465 D CA -0.446 53.459 54.000 -0.158 0.000 0.850 465 D CB 0.388 41.160 40.800 -0.048 0.000 1.061 465 D HN 0.516 nan 8.370 nan 0.000 0.487 466 Y N 1.255 121.562 120.300 0.011 0.000 2.466 466 Y HA 0.072 4.664 4.550 0.070 0.000 0.272 466 Y C 1.297 177.199 175.900 0.003 0.000 1.169 466 Y CA -0.281 57.820 58.100 0.002 0.000 1.285 466 Y CB 0.021 38.484 38.460 0.006 0.000 1.078 466 Y HN 0.238 nan 8.280 nan 0.000 0.523 467 S N -0.220 115.550 115.700 0.117 0.000 2.562 467 S HA 0.198 4.710 4.470 0.070 0.000 0.275 467 S C 0.235 174.863 174.600 0.046 0.000 1.281 467 S CA -0.615 57.632 58.200 0.078 0.000 1.045 467 S CB 0.459 63.699 63.200 0.067 0.000 0.962 467 S HN 0.569 nan 8.310 nan 0.000 0.503 468 N N -0.642 118.081 118.700 0.038 0.000 2.740 468 N HA -0.124 4.658 4.740 0.070 0.000 0.248 468 N C -0.940 174.577 175.510 0.011 0.000 1.062 468 N CA 0.372 53.435 53.050 0.021 0.000 0.704 468 N CB -1.370 37.130 38.487 0.021 0.000 0.968 468 N HN 0.494 nan 8.380 nan 0.000 0.547 469 V N 0.792 120.718 119.914 0.019 0.000 2.455 469 V HA 0.483 4.645 4.120 0.070 0.000 0.273 469 V C 1.006 177.105 176.094 0.008 0.000 1.045 469 V CA -0.227 62.082 62.300 0.016 0.000 0.976 469 V CB 1.117 32.964 31.823 0.039 0.000 0.993 469 V HN 0.370 nan 8.190 nan 0.000 0.475 470 A N 4.948 127.769 122.820 0.001 0.000 2.371 470 A HA 0.697 5.059 4.320 0.070 0.000 0.257 470 A C 0.552 178.143 177.584 0.012 0.000 1.089 470 A CA 0.073 52.104 52.037 -0.009 0.000 0.794 470 A CB 0.364 19.357 19.000 -0.012 0.000 1.029 470 A HN 0.979 nan 8.150 nan 0.000 0.488 471 T N -1.449 113.105 114.554 0.001 0.000 2.901 471 T HA 0.800 5.192 4.350 0.070 0.000 0.293 471 T C -0.527 174.130 174.700 -0.071 0.000 1.084 471 T CA -0.635 61.489 62.100 0.041 0.000 1.008 471 T CB 1.808 70.782 68.868 0.177 0.000 1.170 471 T HN 0.584 nan 8.240 nan 0.000 0.509 472 T N 1.144 115.626 114.554 -0.120 0.000 2.971 472 T HA 0.506 4.899 4.350 0.070 0.000 0.304 472 T C -0.681 173.754 174.700 -0.441 0.000 1.038 472 T CA -0.615 61.242 62.100 -0.405 0.000 1.007 472 T CB 1.549 70.012 68.868 -0.674 0.000 1.055 472 T HN 0.668 nan 8.240 nan 0.000 0.451 473 V N 3.991 123.714 119.914 -0.318 0.000 2.385 473 V HA 0.309 4.471 4.120 0.070 0.000 0.269 473 V C -0.245 175.681 176.094 -0.279 0.000 1.043 473 V CA -0.420 61.812 62.300 -0.113 0.000 0.906 473 V CB -0.022 31.795 31.823 -0.010 0.000 0.995 473 V HN 0.861 nan 8.190 nan 0.000 0.467 474 F N 3.399 123.314 119.950 -0.059 0.000 2.833 474 F HA 0.172 4.722 4.527 0.038 0.000 0.327 474 F C 1.626 177.214 175.800 -0.353 0.000 1.184 474 F CA -0.504 57.318 58.000 -0.297 0.000 1.328 474 F CB -0.528 38.222 39.000 -0.416 0.000 1.440 474 F HN 0.563 nan 8.300 nan 0.000 0.569 475 T N -2.235 112.322 114.554 0.006 0.000 2.748 475 T HA 0.078 4.471 4.350 0.070 0.000 0.304 475 T C -1.478 173.351 174.700 0.214 0.000 1.041 475 T CA -1.411 60.755 62.100 0.109 0.000 1.033 475 T CB 0.692 69.629 68.868 0.115 0.000 0.995 475 T HN -0.025 nan 8.240 nan 0.000 0.536 476 P HA -0.022 nan 4.420 nan 0.000 0.215 476 P C 0.343 177.774 177.300 0.217 0.000 1.157 476 P CA 0.616 63.944 63.100 0.381 0.000 0.874 476 P CB -0.036 31.891 31.700 0.378 0.000 0.790 477 L N 0.274 121.449 121.223 -0.080 0.000 2.264 477 L HA 0.206 4.588 4.340 0.070 0.000 0.289 477 L C 0.108 176.958 176.870 -0.032 0.000 1.044 477 L CA -0.519 54.169 54.840 -0.252 0.000 0.807 477 L CB 0.182 41.713 42.059 -0.880 0.000 1.192 477 L HN -0.096 nan 8.230 nan 0.000 0.425 478 E N 3.598 123.840 120.200 0.070 0.000 2.373 478 E HA 0.129 4.521 4.350 0.070 0.000 0.263 478 E C -1.489 175.179 176.600 0.112 0.000 1.073 478 E CA -0.130 56.310 56.400 0.067 0.000 0.894 478 E CB 0.908 30.654 29.700 0.076 0.000 1.008 478 E HN 0.449 nan 8.360 nan 0.000 0.420 479 Y N 0.888 121.138 120.300 -0.082 0.000 2.332 479 Y HA 0.497 5.087 4.550 0.066 0.000 0.326 479 Y C -0.467 175.419 175.900 -0.024 0.000 0.978 479 Y CA -1.139 56.947 58.100 -0.022 0.000 1.205 479 Y CB 1.177 39.618 38.460 -0.030 0.000 1.131 479 Y HN 0.504 nan 8.280 nan 0.000 0.462 480 G N 3.338 112.082 108.800 -0.093 0.000 2.416 480 G HA2 0.776 4.778 3.960 0.070 0.000 0.329 480 G HA3 0.776 4.778 3.960 0.070 0.000 0.329 480 G C -1.626 173.117 174.900 -0.262 0.000 1.173 480 G CA -0.446 44.524 45.100 -0.217 0.000 0.929 480 G HN 1.010 nan 8.290 nan 0.000 0.475 481 A N -0.022 122.619 122.820 -0.297 0.000 2.572 481 A HA 0.713 5.075 4.320 0.070 0.000 0.295 481 A C -1.169 176.302 177.584 -0.189 0.000 1.072 481 A CA -0.587 51.292 52.037 -0.264 0.000 0.691 481 A CB 1.666 20.541 19.000 -0.208 0.000 1.291 481 A HN 1.547 nan 8.150 nan 0.000 0.404 482 C N 1.375 120.536 119.300 -0.232 0.000 2.516 482 C HA 0.816 5.318 4.460 0.070 0.000 0.338 482 C C 0.718 175.630 174.990 -0.129 0.000 1.132 482 C CA 1.285 60.225 59.018 -0.130 0.000 1.310 482 C CB 0.260 27.951 27.740 -0.081 0.000 1.898 482 C HN 2.861 nan 8.230 nan 0.000 0.452 483 G N 4.753 113.518 108.800 -0.057 0.000 2.484 483 G HA2 -0.098 3.905 3.960 0.070 0.000 0.225 483 G HA3 -0.098 3.905 3.960 0.070 0.000 0.225 483 G C -0.975 173.944 174.900 0.031 0.000 1.250 483 G CA -0.199 44.895 45.100 -0.010 0.000 0.926 483 G HN 0.999 nan 8.290 nan 0.000 0.581 484 L N 1.463 122.738 121.223 0.087 0.000 2.350 484 L HA 0.528 4.910 4.340 0.070 0.000 0.275 484 L C 1.608 178.642 176.870 0.274 0.000 1.099 484 L CA -0.088 54.835 54.840 0.139 0.000 0.808 484 L CB 1.501 43.641 42.059 0.134 0.000 1.149 484 L HN 0.990 nan 8.230 nan 0.000 0.442 485 S N 0.386 116.223 115.700 0.229 0.000 2.576 485 S HA -0.026 4.486 4.470 0.070 0.000 0.272 485 S C 0.893 175.558 174.600 0.109 0.000 1.352 485 S CA -0.308 57.997 58.200 0.176 0.000 1.021 485 S CB 1.020 64.270 63.200 0.083 0.000 0.887 485 S HN 0.791 nan 8.310 nan 0.000 0.542 486 E N 1.171 121.384 120.200 0.022 0.000 2.051 486 E HA -0.230 4.162 4.350 0.070 0.000 0.192 486 E C 2.106 178.717 176.600 0.019 0.000 0.991 486 E CA 1.520 57.932 56.400 0.020 0.000 0.799 486 E CB -0.201 29.481 29.700 -0.029 0.000 0.748 486 E HN 0.878 nan 8.360 nan 0.000 0.449 487 E N 0.663 120.864 120.200 0.001 0.000 2.110 487 E HA -0.237 4.156 4.350 0.070 0.000 0.193 487 E C 1.433 178.036 176.600 0.005 0.000 0.988 487 E CA 1.357 57.756 56.400 -0.002 0.000 0.804 487 E CB -0.375 29.318 29.700 -0.012 0.000 0.745 487 E HN 0.276 nan 8.360 nan 0.000 0.458 488 D N 1.579 121.988 120.400 0.016 0.000 2.144 488 D HA -0.017 4.665 4.640 0.070 0.000 0.200 488 D C 1.980 178.289 176.300 0.015 0.000 0.978 488 D CA 1.806 55.809 54.000 0.006 0.000 0.833 488 D CB -0.286 40.521 40.800 0.012 0.000 0.961 488 D HN 0.349 nan 8.370 nan 0.000 0.470 489 A N 0.530 123.394 122.820 0.073 0.000 1.930 489 A HA -0.097 4.265 4.320 0.070 0.000 0.217 489 A C 2.331 179.999 177.584 0.139 0.000 1.175 489 A CA 0.719 52.850 52.037 0.157 0.000 0.627 489 A CB -0.592 18.525 19.000 0.194 0.000 0.815 489 A HN 0.179 nan 8.150 nan 0.000 0.443 490 I N -0.785 119.826 120.570 0.069 0.000 2.252 490 I HA -0.237 3.975 4.170 0.070 0.000 0.245 490 I C 2.510 178.632 176.117 0.009 0.000 1.102 490 I CA 1.722 63.050 61.300 0.046 0.000 1.385 490 I CB -0.273 37.738 38.000 0.017 0.000 1.064 490 I HN 0.497 nan 8.210 nan 0.000 0.414 491 E N 1.306 121.494 120.200 -0.020 0.000 2.118 491 E HA -0.249 4.144 4.350 0.070 0.000 0.195 491 E C 2.113 178.646 176.600 -0.112 0.000 0.992 491 E CA 1.412 57.780 56.400 -0.053 0.000 0.804 491 E CB 0.155 29.825 29.700 -0.050 0.000 0.741 491 E HN 0.366 nan 8.360 nan 0.000 0.458 492 K N -1.013 119.267 120.400 -0.199 0.000 2.076 492 K HA -0.086 4.276 4.320 0.070 0.000 0.204 492 K C 1.218 177.500 176.600 -0.529 0.000 1.051 492 K CA 1.177 57.180 56.287 -0.472 0.000 0.949 492 K CB 0.122 32.124 32.500 -0.829 0.000 0.726 492 K HN 0.249 nan 8.250 nan 0.000 0.443 493 Y N -0.376 119.925 120.300 0.001 0.000 2.500 493 Y HA 0.283 4.875 4.550 0.070 0.000 0.246 493 Y C 0.571 176.470 175.900 -0.002 0.000 1.146 493 Y CA -0.061 58.040 58.100 0.001 0.000 1.230 493 Y CB 1.165 39.627 38.460 0.004 0.000 1.214 493 Y HN 0.123 nan 8.280 nan 0.000 0.526 494 G N 1.064 109.919 108.800 0.092 0.000 2.722 494 G HA2 -0.299 3.703 3.960 0.070 0.000 0.686 494 G HA3 -0.299 3.703 3.960 0.070 0.000 0.686 494 G C 0.001 174.935 174.900 0.056 0.000 1.282 494 G CA -0.061 45.072 45.100 0.055 0.000 0.817 494 G HN 0.294 nan 8.290 nan 0.000 0.605 495 D N 0.278 120.694 120.400 0.026 0.000 2.123 495 D HA -0.093 4.589 4.640 0.070 0.000 0.196 495 D C 2.259 178.563 176.300 0.007 0.000 0.992 495 D CA 1.916 55.923 54.000 0.012 0.000 0.833 495 D CB 0.001 40.800 40.800 -0.003 0.000 0.954 495 D HN 0.585 nan 8.370 nan 0.000 0.455 496 K N -0.535 119.871 120.400 0.010 0.000 2.362 496 K HA -0.088 4.274 4.320 0.070 0.000 0.200 496 K C 0.949 177.552 176.600 0.006 0.000 1.046 496 K CA 0.953 57.242 56.287 0.003 0.000 0.952 496 K CB 0.125 32.629 32.500 0.006 0.000 0.753 496 K HN 0.138 nan 8.250 nan 0.000 0.466 497 D N 0.066 120.480 120.400 0.024 0.000 2.349 497 D HA 0.048 4.730 4.640 0.070 0.000 0.214 497 D C -0.462 175.840 176.300 0.003 0.000 1.063 497 D CA 0.159 54.170 54.000 0.019 0.000 0.847 497 D CB 0.458 41.288 40.800 0.050 0.000 0.933 497 D HN -0.073 nan 8.370 nan 0.000 0.513 498 I N 1.489 122.062 120.570 0.006 0.000 2.378 498 I HA 0.341 4.554 4.170 0.070 0.000 0.291 498 I C 0.043 176.129 176.117 -0.051 0.000 0.992 498 I CA -0.723 60.572 61.300 -0.007 0.000 1.154 498 I CB 1.467 39.481 38.000 0.022 0.000 1.315 498 I HN -0.154 nan 8.210 nan 0.000 0.448 499 E N 5.157 125.315 120.200 -0.071 0.000 2.171 499 E HA 0.571 4.963 4.350 0.070 0.000 0.271 499 E C -1.457 175.029 176.600 -0.190 0.000 0.916 499 E CA -0.483 55.815 56.400 -0.170 0.000 0.774 499 E CB 1.833 31.414 29.700 -0.198 0.000 1.128 499 E HN 0.318 nan 8.360 nan 0.000 0.403 500 V N 5.410 125.153 119.914 -0.286 0.000 2.378 500 V HA 0.353 4.515 4.120 0.070 0.000 0.288 500 V C -0.993 174.891 176.094 -0.350 0.000 1.016 500 V CA -0.750 61.418 62.300 -0.220 0.000 0.840 500 V CB 0.554 32.267 31.823 -0.183 0.000 0.994 500 V HN 0.626 nan 8.190 nan 0.000 0.431 501 Y N 4.570 124.836 120.300 -0.058 0.000 2.320 501 Y HA 0.650 5.242 4.550 0.070 0.000 0.334 501 Y C 0.621 176.535 175.900 0.023 0.000 1.055 501 Y CA -0.380 57.708 58.100 -0.020 0.000 1.143 501 Y CB 1.115 39.552 38.460 -0.039 0.000 1.193 501 Y HN 0.852 nan 8.280 nan 0.000 0.477 502 H N -0.964 118.083 119.070 -0.037 0.000 2.985 502 H HA 0.867 5.465 4.556 0.070 0.000 0.360 502 H C -1.436 173.754 175.328 -0.231 0.000 1.221 502 H CA -1.217 54.712 56.048 -0.199 0.000 1.121 502 H CB 2.301 31.964 29.762 -0.165 0.000 1.854 502 H HN 0.499 nan 8.280 nan 0.000 0.551 503 S N 0.689 116.127 115.700 -0.436 0.000 2.542 503 S HA 0.246 4.758 4.470 0.070 0.000 0.276 503 S C -1.568 172.899 174.600 -0.221 0.000 1.148 503 S CA -0.858 57.145 58.200 -0.328 0.000 0.886 503 S CB 1.196 64.275 63.200 -0.202 0.000 1.109 503 S HN 0.833 nan 8.310 nan 0.000 0.458 504 N N 1.634 120.306 118.700 -0.046 0.000 2.483 504 N HA 0.745 5.528 4.740 0.070 0.000 0.269 504 N C -0.636 174.953 175.510 0.133 0.000 1.209 504 N CA -0.113 52.972 53.050 0.058 0.000 0.969 504 N CB 0.560 39.072 38.487 0.042 0.000 1.173 504 N HN 0.511 nan 8.380 nan 0.000 0.475 505 F N -2.002 117.905 119.950 -0.073 0.000 2.741 505 F HA 0.559 5.118 4.527 0.053 0.000 0.313 505 F C -1.297 174.448 175.800 -0.092 0.000 1.153 505 F CA -1.237 56.709 58.000 -0.090 0.000 0.931 505 F CB 1.441 40.359 39.000 -0.137 0.000 1.335 505 F HN 0.141 nan 8.300 nan 0.000 0.460 506 K N 2.168 122.604 120.400 0.059 0.000 2.507 506 K HA 0.566 4.928 4.320 0.070 0.000 0.252 506 K C -3.012 173.587 176.600 -0.001 0.000 0.943 506 K CA -1.928 54.323 56.287 -0.059 0.000 0.808 506 K CB 1.907 34.450 32.500 0.071 0.000 1.142 506 K HN 0.419 nan 8.250 nan 0.000 0.426 507 P HA -0.071 nan 4.420 nan 0.000 0.266 507 P C 0.556 177.867 177.300 0.017 0.000 1.195 507 P CA -0.377 62.628 63.100 -0.159 0.000 0.768 507 P CB 0.546 31.916 31.700 -0.550 0.000 0.838 508 L N 3.589 124.852 121.223 0.066 0.000 2.079 508 L HA -0.206 4.176 4.340 0.070 0.000 0.210 508 L C 1.651 178.641 176.870 0.201 0.000 1.081 508 L CA 2.043 56.951 54.840 0.114 0.000 0.752 508 L CB -1.127 40.974 42.059 0.069 0.000 0.896 508 L HN 0.290 nan 8.230 nan 0.000 0.433 509 E N -1.385 118.961 120.200 0.243 0.000 2.204 509 E HA -0.227 4.165 4.350 0.070 0.000 0.195 509 E C 1.665 178.600 176.600 0.557 0.000 0.990 509 E CA 1.338 57.989 56.400 0.417 0.000 0.821 509 E CB -0.403 29.495 29.700 0.330 0.000 0.750 509 E HN 0.567 nan 8.360 nan 0.000 0.477 510 W N 0.759 122.146 121.300 0.146 0.000 2.937 510 W HA 0.042 4.742 4.660 0.067 0.000 0.245 510 W C 2.036 178.562 176.519 0.012 0.000 1.306 510 W CA 1.214 58.614 57.345 0.093 0.000 1.470 510 W CB -0.864 28.642 29.460 0.076 0.000 1.132 510 W HN 0.179 nan 8.180 nan 0.000 0.675 511 T N -3.407 111.271 114.554 0.206 0.000 2.706 511 T HA -0.128 4.264 4.350 0.070 0.000 0.255 511 T C 1.886 176.465 174.700 -0.202 0.000 1.048 511 T CA 1.474 63.596 62.100 0.036 0.000 1.153 511 T CB -0.928 67.970 68.868 0.051 0.000 0.865 511 T HN -0.131 nan 8.240 nan 0.000 0.414 512 V N 2.457 122.215 119.914 -0.262 0.000 2.407 512 V HA -0.015 4.148 4.120 0.070 0.000 0.248 512 V C 3.139 178.797 176.094 -0.727 0.000 1.055 512 V CA 1.603 63.559 62.300 -0.573 0.000 1.049 512 V CB -1.322 30.023 31.823 -0.797 0.000 0.662 512 V HN 0.729 nan 8.190 nan 0.000 0.455 513 A N -1.950 120.632 122.820 -0.396 0.000 2.239 513 A HA -0.084 4.278 4.320 0.070 0.000 0.209 513 A C 0.925 178.250 177.584 -0.431 0.000 1.171 513 A CA 0.399 52.261 52.037 -0.292 0.000 0.768 513 A CB -0.524 18.547 19.000 0.118 0.000 0.790 513 A HN 0.747 nan 8.150 nan 0.000 0.478 514 H N -1.091 117.822 119.070 -0.261 0.000 2.826 514 H HA -0.133 4.466 4.556 0.073 0.000 0.306 514 H C 0.357 175.593 175.328 -0.153 0.000 1.235 514 H CA 1.258 57.181 56.048 -0.208 0.000 1.150 514 H CB -1.479 28.105 29.762 -0.296 0.000 1.409 514 H HN 0.675 nan 8.280 nan 0.000 0.420 515 R N 0.322 120.791 120.500 -0.052 0.000 2.527 515 R HA 0.317 4.699 4.340 0.070 0.000 0.243 515 R C 0.434 176.774 176.300 0.066 0.000 1.206 515 R CA -0.906 55.103 56.100 -0.152 0.000 1.134 515 R CB 0.797 30.677 30.300 -0.699 0.000 1.347 515 R HN 0.108 nan 8.270 nan 0.000 0.580 516 E N 1.457 121.713 120.200 0.094 0.000 2.414 516 E HA -0.020 4.372 4.350 0.070 0.000 0.263 516 E C -0.781 175.999 176.600 0.300 0.000 1.000 516 E CA 0.514 57.044 56.400 0.216 0.000 0.914 516 E CB 0.266 30.121 29.700 0.259 0.000 0.948 516 E HN 0.208 nan 8.360 nan 0.000 0.444 517 D N 2.574 123.079 120.400 0.176 0.000 2.329 517 D HA 0.094 4.776 4.640 0.070 0.000 0.246 517 D C 0.165 176.526 176.300 0.102 0.000 1.111 517 D CA -0.263 53.815 54.000 0.130 0.000 0.941 517 D CB 0.570 41.422 40.800 0.087 0.000 1.169 517 D HN 0.343 nan 8.370 nan 0.000 0.441 518 N N -0.153 118.579 118.700 0.053 0.000 2.714 518 N HA -0.151 4.631 4.740 0.070 0.000 0.250 518 N C 0.546 176.076 175.510 0.032 0.000 1.117 518 N CA 0.382 53.450 53.050 0.029 0.000 0.719 518 N CB -1.240 37.265 38.487 0.030 0.000 1.081 518 N HN 0.206 nan 8.380 nan 0.000 0.557 519 V N -1.065 118.875 119.914 0.043 0.000 2.854 519 V HA 0.091 4.253 4.120 0.070 0.000 0.236 519 V C 1.369 177.422 176.094 -0.070 0.000 1.157 519 V CA 0.606 62.948 62.300 0.070 0.000 1.187 519 V CB 0.331 32.312 31.823 0.264 0.000 0.949 519 V HN 0.405 nan 8.190 nan 0.000 0.488 520 C N 1.449 120.563 119.300 -0.310 0.000 2.634 520 C HA 0.303 4.806 4.460 0.070 0.000 0.417 520 C C -0.064 174.583 174.990 -0.572 0.000 1.334 520 C CA 0.205 58.775 59.018 -0.747 0.000 1.829 520 C CB -1.421 25.286 27.740 -1.721 0.000 2.665 520 C HN 0.547 nan 8.230 nan 0.000 0.614 521 Y N 3.392 123.467 120.300 -0.376 0.000 2.558 521 Y HA 0.693 5.283 4.550 0.068 0.000 0.333 521 Y C -0.605 175.412 175.900 0.194 0.000 1.125 521 Y CA -1.102 56.982 58.100 -0.027 0.000 1.039 521 Y CB 1.105 39.534 38.460 -0.052 0.000 1.331 521 Y HN 0.806 nan 8.280 nan 0.000 0.456 522 M N 4.317 123.668 119.600 -0.415 0.000 2.520 522 M HA 0.725 5.247 4.480 0.070 0.000 0.283 522 M C -2.251 173.760 176.300 -0.483 0.000 1.237 522 M CA -0.830 54.279 55.300 -0.317 0.000 0.885 522 M CB 3.102 35.357 32.600 -0.575 0.000 1.727 522 M HN 0.579 nan 8.290 nan 0.000 0.468 523 K N 1.736 122.108 120.400 -0.046 0.000 2.532 523 K HA 0.803 5.165 4.320 0.070 0.000 0.265 523 K C -2.053 174.676 176.600 0.214 0.000 0.948 523 K CA -0.973 55.349 56.287 0.058 0.000 0.842 523 K CB 2.371 34.931 32.500 0.100 0.000 1.392 523 K HN 0.843 nan 8.250 nan 0.000 0.436 524 L N 2.051 123.358 121.223 0.140 0.000 2.325 524 L HA 0.440 4.823 4.340 0.070 0.000 0.281 524 L C -0.774 176.154 176.870 0.097 0.000 1.004 524 L CA -1.387 53.486 54.840 0.054 0.000 0.823 524 L CB 2.037 44.013 42.059 -0.138 0.000 1.236 524 L HN 0.412 nan 8.230 nan 0.000 0.415 525 V N 2.220 122.191 119.914 0.095 0.000 2.406 525 V HA 0.331 4.494 4.120 0.070 0.000 0.272 525 V C -0.063 176.056 176.094 0.043 0.000 1.043 525 V CA -0.304 62.044 62.300 0.080 0.000 0.915 525 V CB 1.122 33.020 31.823 0.125 0.000 0.988 525 V HN 0.825 nan 8.190 nan 0.000 0.466 526 C N 4.826 124.148 119.300 0.038 0.000 2.712 526 C HA 0.593 5.095 4.460 0.070 0.000 0.308 526 C C 0.209 175.190 174.990 -0.016 0.000 1.201 526 C CA -1.078 57.953 59.018 0.022 0.000 1.554 526 C CB 1.885 29.687 27.740 0.103 0.000 2.117 526 C HN 0.905 nan 8.230 nan 0.000 0.480 527 R N 1.690 122.150 120.500 -0.067 0.000 2.229 527 R HA 0.232 4.614 4.340 0.070 0.000 0.332 527 R C 1.001 177.258 176.300 -0.072 0.000 0.989 527 R CA -0.303 55.722 56.100 -0.125 0.000 0.842 527 R CB 0.592 30.714 30.300 -0.297 0.000 1.119 527 R HN 0.774 nan 8.270 nan 0.000 0.456 528 K N 1.088 121.461 120.400 -0.045 0.000 2.032 528 K HA -0.123 4.240 4.320 0.070 0.000 0.209 528 K C 1.666 178.252 176.600 -0.023 0.000 1.048 528 K CA 1.829 58.106 56.287 -0.017 0.000 0.927 528 K CB 0.047 32.540 32.500 -0.011 0.000 0.712 528 K HN 0.477 nan 8.250 nan 0.000 0.441 529 S N 1.123 116.799 115.700 -0.039 0.000 2.400 529 S HA -0.153 4.359 4.470 0.070 0.000 0.232 529 S C 1.074 175.650 174.600 -0.039 0.000 1.025 529 S CA 1.277 59.457 58.200 -0.033 0.000 0.993 529 S CB -0.137 63.043 63.200 -0.034 0.000 0.808 529 S HN 0.281 nan 8.310 nan 0.000 0.478 530 D N 0.952 121.313 120.400 -0.065 0.000 3.071 530 D HA 0.224 4.906 4.640 0.070 0.000 0.259 530 D C -0.406 175.872 176.300 -0.035 0.000 1.331 530 D CA -0.354 53.611 54.000 -0.059 0.000 0.861 530 D CB -1.512 39.228 40.800 -0.100 0.000 1.059 530 D HN 0.224 nan 8.370 nan 0.000 0.486 531 N N 0.717 119.406 118.700 -0.017 0.000 2.735 531 N HA -0.270 4.513 4.740 0.070 0.000 0.248 531 N C -0.108 175.405 175.510 0.005 0.000 1.083 531 N CA 0.448 53.497 53.050 -0.002 0.000 0.703 531 N CB -0.691 37.796 38.487 0.001 0.000 1.005 531 N HN 0.231 nan 8.380 nan 0.000 0.550 532 M N -1.113 118.490 119.600 0.006 0.000 2.360 532 M HA -0.202 4.320 4.480 0.070 0.000 0.202 532 M C 0.139 176.439 176.300 0.001 0.000 0.390 532 M CA 0.808 56.123 55.300 0.024 0.000 0.470 532 M CB -0.750 31.887 32.600 0.061 0.000 1.637 532 M HN 0.334 nan 8.290 nan 0.000 0.885 533 R N -0.214 120.272 120.500 -0.023 0.000 2.538 533 R HA 0.368 4.750 4.340 0.070 0.000 0.282 533 R C -0.678 175.603 176.300 -0.033 0.000 1.009 533 R CA 0.164 56.249 56.100 -0.026 0.000 1.063 533 R CB 0.515 30.782 30.300 -0.054 0.000 0.945 533 R HN 0.246 nan 8.270 nan 0.000 0.414 534 V N 8.058 127.959 119.914 -0.022 0.000 2.415 534 V HA 0.026 4.188 4.120 0.070 0.000 0.267 534 V C 1.162 177.243 176.094 -0.021 0.000 1.042 534 V CA 0.190 62.458 62.300 -0.053 0.000 1.000 534 V CB 0.661 32.427 31.823 -0.095 0.000 1.015 534 V HN 0.771 nan 8.190 nan 0.000 0.478 535 L N 4.242 125.458 121.223 -0.011 0.000 2.408 535 L HA 0.452 4.834 4.340 0.070 0.000 0.215 535 L C 1.095 177.992 176.870 0.044 0.000 1.081 535 L CA 0.621 55.477 54.840 0.027 0.000 0.840 535 L CB 0.165 42.255 42.059 0.052 0.000 1.002 535 L HN 0.744 nan 8.230 nan 0.000 0.468 536 G N 0.397 109.217 108.800 0.034 0.000 2.753 536 G HA2 0.543 4.546 3.960 0.070 0.000 0.297 536 G HA3 0.543 4.546 3.960 0.070 0.000 0.297 536 G C -2.081 172.781 174.900 -0.063 0.000 1.430 536 G CA -0.309 44.802 45.100 0.019 0.000 1.040 536 G HN -0.108 nan 8.290 nan 0.000 0.530 537 L N 2.046 123.102 121.223 -0.280 0.000 2.346 537 L HA 0.809 5.191 4.340 0.070 0.000 0.274 537 L C -1.014 175.589 176.870 -0.445 0.000 1.007 537 L CA -0.870 53.814 54.840 -0.261 0.000 0.818 537 L CB 1.786 43.646 42.059 -0.332 0.000 1.284 537 L HN 0.591 nan 8.230 nan 0.000 0.424 538 H N 4.170 123.389 119.070 0.248 0.000 2.966 538 H HA 0.510 5.108 4.556 0.070 0.000 0.347 538 H C -1.497 174.100 175.328 0.449 0.000 1.048 538 H CA -0.547 55.734 56.048 0.387 0.000 1.295 538 H CB 2.367 32.374 29.762 0.409 0.000 1.744 538 H HN 0.450 nan 8.280 nan 0.000 0.513 539 V N 4.977 125.231 119.914 0.566 0.000 2.668 539 V HA 0.351 4.513 4.120 0.070 0.000 0.304 539 V C -1.543 174.827 176.094 0.459 0.000 1.071 539 V CA -0.735 61.845 62.300 0.468 0.000 0.894 539 V CB 2.154 34.252 31.823 0.458 0.000 1.008 539 V HN 0.513 nan 8.190 nan 0.000 0.425 540 L N 7.391 128.828 121.223 0.355 0.000 2.294 540 L HA 1.054 5.436 4.340 0.070 0.000 0.283 540 L C 0.041 176.973 176.870 0.102 0.000 1.015 540 L CA 1.080 56.046 54.840 0.210 0.000 0.831 540 L CB 0.920 43.036 42.059 0.095 0.000 1.217 540 L HN 1.056 nan 8.230 nan 0.000 0.420 541 G N 4.258 113.111 108.800 0.089 0.000 2.328 541 G HA2 0.324 4.326 3.960 0.070 0.000 0.295 541 G HA3 0.324 4.326 3.960 0.070 0.000 0.295 541 G C -3.420 171.528 174.900 0.080 0.000 1.413 541 G CA -0.774 44.342 45.100 0.027 0.000 0.817 541 G HN 0.379 nan 8.290 nan 0.000 0.546 542 P HA 0.164 nan 4.420 nan 0.000 0.269 542 P C -0.075 177.314 177.300 0.148 0.000 1.209 542 P CA 0.149 63.329 63.100 0.133 0.000 0.776 542 P CB 0.416 32.188 31.700 0.121 0.000 0.876 543 N N 0.009 118.820 118.700 0.185 0.000 2.725 543 N HA -0.235 4.548 4.740 0.070 0.000 0.249 543 N C 1.110 176.716 175.510 0.161 0.000 1.103 543 N CA 1.069 54.225 53.050 0.178 0.000 0.707 543 N CB -1.779 36.787 38.487 0.131 0.000 1.043 543 N HN 0.590 nan 8.380 nan 0.000 0.553 544 A N 0.071 122.981 122.820 0.149 0.000 1.986 544 A HA -0.025 4.337 4.320 0.070 0.000 0.220 544 A C 2.307 179.944 177.584 0.088 0.000 1.171 544 A CA 2.245 54.358 52.037 0.126 0.000 0.640 544 A CB -0.741 18.317 19.000 0.097 0.000 0.811 544 A HN 0.530 nan 8.150 nan 0.000 0.451 545 G N -0.687 108.155 108.800 0.069 0.000 2.403 545 G HA2 -0.113 3.889 3.960 0.070 0.000 0.216 545 G HA3 -0.113 3.889 3.960 0.070 0.000 0.216 545 G C 1.371 176.335 174.900 0.107 0.000 1.154 545 G CA 0.822 45.966 45.100 0.073 0.000 0.784 545 G HN 0.503 nan 8.290 nan 0.000 0.538 546 E N 0.664 120.939 120.200 0.125 0.000 2.072 546 E HA -0.052 4.340 4.350 0.070 0.000 0.191 546 E C 2.577 179.227 176.600 0.083 0.000 0.985 546 E CA 0.411 56.864 56.400 0.090 0.000 0.801 546 E CB -0.237 29.514 29.700 0.085 0.000 0.750 546 E HN 0.496 nan 8.360 nan 0.000 0.452 547 I N 1.242 121.888 120.570 0.127 0.000 2.099 547 I HA -0.275 3.938 4.170 0.070 0.000 0.239 547 I C 2.395 178.653 176.117 0.235 0.000 1.066 547 I CA 1.599 63.016 61.300 0.196 0.000 1.324 547 I CB -0.555 37.600 38.000 0.258 0.000 1.037 547 I HN 0.064 nan 8.210 nan 0.000 0.401 548 T N -0.357 114.308 114.554 0.186 0.000 2.788 548 T HA -0.260 4.132 4.350 0.070 0.000 0.268 548 T C 1.753 176.519 174.700 0.109 0.000 1.044 548 T CA 1.519 63.715 62.100 0.159 0.000 1.139 548 T CB -0.269 68.633 68.868 0.058 0.000 0.867 548 T HN 0.281 nan 8.240 nan 0.000 0.454 549 Q N 1.305 121.132 119.800 0.046 0.000 2.030 549 Q HA -0.052 4.330 4.340 0.070 0.000 0.204 549 Q C 2.462 178.432 176.000 -0.051 0.000 0.986 549 Q CA 2.229 58.033 55.803 0.002 0.000 0.843 549 Q CB -1.088 27.650 28.738 0.001 0.000 0.904 549 Q HN 0.491 nan 8.270 nan 0.000 0.420 550 G N -1.098 107.621 108.800 -0.134 0.000 2.440 550 G HA2 -0.274 3.728 3.960 0.070 0.000 0.218 550 G HA3 -0.274 3.728 3.960 0.070 0.000 0.218 550 G C 0.938 175.674 174.900 -0.274 0.000 1.154 550 G CA 1.024 45.976 45.100 -0.246 0.000 0.767 550 G HN 0.473 nan 8.290 nan 0.000 0.552 551 Y N 1.274 121.491 120.300 -0.139 0.000 2.333 551 Y HA 0.073 4.659 4.550 0.061 0.000 0.290 551 Y C 3.028 178.868 175.900 -0.099 0.000 1.144 551 Y CA 0.455 58.456 58.100 -0.166 0.000 1.228 551 Y CB -0.405 37.933 38.460 -0.203 0.000 0.985 551 Y HN 0.269 nan 8.280 nan 0.000 0.542 552 A N -0.411 122.437 122.820 0.047 0.000 1.972 552 A HA -0.120 4.243 4.320 0.070 0.000 0.219 552 A C 2.351 179.933 177.584 -0.002 0.000 1.169 552 A CA 1.740 53.787 52.037 0.018 0.000 0.635 552 A CB -1.041 17.960 19.000 0.001 0.000 0.810 552 A HN 0.259 nan 8.150 nan 0.000 0.446 553 V N -0.226 119.669 119.914 -0.030 0.000 2.307 553 V HA -0.217 3.945 4.120 0.070 0.000 0.245 553 V C 3.042 179.117 176.094 -0.032 0.000 1.045 553 V CA 1.862 64.139 62.300 -0.039 0.000 1.024 553 V CB -1.319 30.464 31.823 -0.065 0.000 0.651 553 V HN 0.587 nan 8.190 nan 0.000 0.449 554 A N -0.036 122.756 122.820 -0.046 0.000 1.902 554 A HA -0.167 4.195 4.320 0.070 0.000 0.217 554 A C 2.198 179.800 177.584 0.030 0.000 1.181 554 A CA 1.917 53.932 52.037 -0.036 0.000 0.623 554 A CB -0.574 18.363 19.000 -0.104 0.000 0.818 554 A HN 0.512 nan 8.150 nan 0.000 0.443 555 I N -0.722 119.886 120.570 0.063 0.000 2.315 555 I HA -0.238 3.975 4.170 0.070 0.000 0.248 555 I C 2.508 178.648 176.117 0.039 0.000 1.117 555 I CA 1.788 63.132 61.300 0.073 0.000 1.404 555 I CB -0.224 37.817 38.000 0.068 0.000 1.071 555 I HN 0.377 nan 8.210 nan 0.000 0.419 556 K N 1.244 121.657 120.400 0.022 0.000 2.147 556 K HA -0.117 4.245 4.320 0.070 0.000 0.205 556 K C 2.015 178.622 176.600 0.013 0.000 1.049 556 K CA 1.282 57.578 56.287 0.014 0.000 0.936 556 K CB 0.008 32.510 32.500 0.004 0.000 0.722 556 K HN 0.231 nan 8.250 nan 0.000 0.446 557 M N -0.452 119.154 119.600 0.009 0.000 2.619 557 M HA 0.091 4.613 4.480 0.070 0.000 0.251 557 M C 0.620 176.928 176.300 0.014 0.000 1.106 557 M CA 0.874 56.177 55.300 0.005 0.000 1.086 557 M CB 0.654 33.250 32.600 -0.007 0.000 1.465 557 M HN 0.408 nan 8.290 nan 0.000 0.506 558 G N 1.286 110.101 108.800 0.026 0.000 2.203 558 G HA2 -0.102 3.900 3.960 0.070 0.000 0.231 558 G HA3 -0.102 3.900 3.960 0.070 0.000 0.231 558 G C 0.051 174.978 174.900 0.046 0.000 1.058 558 G CA -0.171 44.947 45.100 0.030 0.000 0.781 558 G HN 0.709 nan 8.290 nan 0.000 0.496 559 A N 0.232 123.098 122.820 0.077 0.000 2.561 559 A HA 0.614 4.976 4.320 0.070 0.000 0.234 559 A C 1.173 178.838 177.584 0.135 0.000 1.055 559 A CA 1.523 53.639 52.037 0.132 0.000 0.756 559 A CB 0.183 19.328 19.000 0.243 0.000 0.986 559 A HN 2.038 nan 8.150 nan 0.000 0.505 560 T N -0.485 114.147 114.554 0.130 0.000 2.948 560 T HA 0.486 4.879 4.350 0.070 0.000 0.285 560 T C 0.973 175.747 174.700 0.124 0.000 1.019 560 T CA -0.325 61.825 62.100 0.084 0.000 1.013 560 T CB 1.229 70.125 68.868 0.046 0.000 1.117 560 T HN 0.528 nan 8.240 nan 0.000 0.533 561 K N 0.915 121.318 120.400 0.005 0.000 2.063 561 K HA -0.004 4.359 4.320 0.070 0.000 0.208 561 K C 2.363 178.978 176.600 0.024 0.000 1.048 561 K CA 2.027 58.265 56.287 -0.081 0.000 0.928 561 K CB -1.225 31.133 32.500 -0.236 0.000 0.713 561 K HN 0.742 nan 8.250 nan 0.000 0.442 562 A N 1.132 123.967 122.820 0.025 0.000 1.940 562 A HA -0.215 4.147 4.320 0.070 0.000 0.219 562 A C 1.796 179.420 177.584 0.068 0.000 1.176 562 A CA 2.119 54.175 52.037 0.032 0.000 0.631 562 A CB -0.773 18.240 19.000 0.021 0.000 0.814 562 A HN 0.489 nan 8.150 nan 0.000 0.446 563 D N -0.859 119.602 120.400 0.101 0.000 2.123 563 D HA -0.161 4.521 4.640 0.070 0.000 0.196 563 D C 1.667 178.012 176.300 0.075 0.000 0.992 563 D CA 1.264 55.310 54.000 0.076 0.000 0.833 563 D CB -0.411 40.431 40.800 0.070 0.000 0.954 563 D HN 0.561 nan 8.370 nan 0.000 0.455 564 F N 1.476 121.420 119.950 -0.010 0.000 2.102 564 F HA -0.155 4.412 4.527 0.067 0.000 0.298 564 F C 2.285 178.087 175.800 0.002 0.000 1.105 564 F CA 0.961 58.969 58.000 0.013 0.000 1.239 564 F CB -0.059 38.933 39.000 -0.014 0.000 0.991 564 F HN -0.177 nan 8.300 nan 0.000 0.474 565 D N -0.063 120.433 120.400 0.160 0.000 2.123 565 D HA -0.145 4.538 4.640 0.070 0.000 0.196 565 D C 2.173 178.497 176.300 0.041 0.000 0.992 565 D CA 1.181 55.221 54.000 0.068 0.000 0.833 565 D CB -0.375 40.435 40.800 0.017 0.000 0.954 565 D HN 0.302 nan 8.370 nan 0.000 0.455 566 R N 0.176 120.694 120.500 0.030 0.000 2.189 566 R HA 0.050 4.432 4.340 0.070 0.000 0.218 566 R C 0.617 176.916 176.300 -0.002 0.000 1.074 566 R CA 0.511 56.616 56.100 0.008 0.000 0.991 566 R CB -0.555 29.745 30.300 0.001 0.000 0.883 566 R HN 0.027 nan 8.270 nan 0.000 0.457 567 T N 2.711 117.263 114.554 -0.004 0.000 2.901 567 T HA 0.182 4.575 4.350 0.070 0.000 0.301 567 T C 0.450 175.148 174.700 -0.002 0.000 1.012 567 T CA -0.105 61.981 62.100 -0.024 0.000 1.135 567 T CB 0.973 69.801 68.868 -0.067 0.000 0.936 567 T HN -0.053 nan 8.240 nan 0.000 0.539 568 I N 2.683 123.247 120.570 -0.010 0.000 2.472 568 I HA 0.323 4.535 4.170 0.070 0.000 0.290 568 I C 1.304 177.427 176.117 0.009 0.000 1.016 568 I CA -0.542 60.758 61.300 0.000 0.000 1.348 568 I CB 0.488 38.484 38.000 -0.006 0.000 1.417 568 I HN 0.682 nan 8.210 nan 0.000 0.521 569 G N 5.811 114.625 108.800 0.023 0.000 2.539 569 G HA2 0.509 4.511 3.960 0.070 0.000 0.258 569 G HA3 0.509 4.511 3.960 0.070 0.000 0.258 569 G C -0.225 174.700 174.900 0.042 0.000 1.202 569 G CA -0.563 44.562 45.100 0.041 0.000 0.851 569 G HN 0.528 nan 8.290 nan 0.000 0.556 570 I N 0.469 121.068 120.570 0.049 0.000 2.331 570 I HA 0.228 4.440 4.170 0.070 0.000 0.292 570 I C -0.284 175.896 176.117 0.105 0.000 0.998 570 I CA -0.647 60.686 61.300 0.055 0.000 1.267 570 I CB 1.496 39.508 38.000 0.020 0.000 1.386 570 I HN 0.476 nan 8.210 nan 0.000 0.476 571 H N 7.306 126.376 119.070 -0.000 0.000 2.489 571 H HA 0.614 5.215 4.556 0.076 0.000 0.343 571 H C -2.554 172.779 175.328 0.010 0.000 1.086 571 H CA -1.853 54.197 56.048 0.004 0.000 1.198 571 H CB 1.579 31.345 29.762 0.006 0.000 1.490 571 H HN 0.324 nan 8.280 nan 0.000 0.504 572 P HA 0.349 nan 4.420 nan 0.000 0.304 572 P C -1.357 175.856 177.300 -0.146 0.000 1.360 572 P CA -0.712 62.073 63.100 -0.525 0.000 0.869 572 P CB 1.733 32.985 31.700 -0.748 0.000 0.988 573 T N -1.630 112.903 114.554 -0.035 0.000 2.864 573 T HA 0.275 4.667 4.350 0.070 0.000 0.299 573 T C 0.765 175.440 174.700 -0.041 0.000 1.166 573 T CA -0.510 61.578 62.100 -0.021 0.000 1.007 573 T CB 0.731 69.598 68.868 -0.001 0.000 1.219 573 T HN 0.301 nan 8.240 nan 0.000 0.506 574 C N 0.589 119.849 119.300 -0.067 0.000 2.457 574 C HA 0.041 4.543 4.460 0.070 0.000 0.278 574 C C 3.104 177.902 174.990 -0.319 0.000 1.309 574 C CA 1.120 59.998 59.018 -0.234 0.000 1.735 574 C CB -1.236 26.444 27.740 -0.100 0.000 1.992 574 C HN 1.026 nan 8.230 nan 0.000 0.493 575 S N 1.140 116.798 115.700 -0.069 0.000 2.383 575 S HA -0.216 4.296 4.470 0.070 0.000 0.229 575 S C 1.965 176.650 174.600 0.141 0.000 1.030 575 S CA 1.992 60.264 58.200 0.120 0.000 1.002 575 S CB -0.467 62.861 63.200 0.212 0.000 0.829 575 S HN 0.853 nan 8.310 nan 0.000 0.467 576 E N -0.091 120.140 120.200 0.051 0.000 2.333 576 E HA -0.154 4.238 4.350 0.070 0.000 0.200 576 E C 1.514 178.119 176.600 0.009 0.000 1.010 576 E CA 1.627 58.066 56.400 0.065 0.000 0.841 576 E CB -0.802 28.935 29.700 0.061 0.000 0.757 576 E HN 0.472 nan 8.360 nan 0.000 0.508 577 T N 0.606 115.064 114.554 -0.160 0.000 2.833 577 T HA -0.118 4.274 4.350 0.070 0.000 0.269 577 T C 1.127 175.700 174.700 -0.211 0.000 1.054 577 T CA 1.125 63.067 62.100 -0.263 0.000 1.135 577 T CB -0.358 68.172 68.868 -0.564 0.000 0.869 577 T HN 0.183 nan 8.240 nan 0.000 0.466 578 F N 2.098 122.003 119.950 -0.075 0.000 2.307 578 F HA -0.087 4.475 4.527 0.057 0.000 0.301 578 F C 2.721 178.611 175.800 0.151 0.000 1.076 578 F CA 1.169 59.170 58.000 0.003 0.000 1.383 578 F CB -0.932 38.035 39.000 -0.055 0.000 1.055 578 F HN 0.269 nan 8.300 nan 0.000 0.526 579 T N -4.789 109.925 114.554 0.267 0.000 3.081 579 T HA 0.031 4.423 4.350 0.070 0.000 0.250 579 T C 1.135 175.906 174.700 0.117 0.000 1.100 579 T CA 0.935 63.160 62.100 0.208 0.000 1.038 579 T CB -0.487 68.463 68.868 0.137 0.000 0.962 579 T HN 0.226 nan 8.240 nan 0.000 0.516 580 T N -0.262 114.342 114.554 0.084 0.000 3.460 580 T HA 0.464 4.856 4.350 0.070 0.000 0.304 580 T C 0.152 174.922 174.700 0.118 0.000 0.991 580 T CA -0.655 61.486 62.100 0.069 0.000 0.975 580 T CB -0.543 68.352 68.868 0.044 0.000 1.196 580 T HN 0.288 nan 8.240 nan 0.000 0.490 581 L N 2.653 123.916 121.223 0.068 0.000 2.456 581 L HA 0.352 4.734 4.340 0.070 0.000 0.272 581 L C 1.524 178.484 176.870 0.150 0.000 1.189 581 L CA 0.163 55.037 54.840 0.058 0.000 0.846 581 L CB 0.443 42.494 42.059 -0.014 0.000 1.111 581 L HN 0.636 nan 8.230 nan 0.000 0.475 582 H N -0.179 118.957 119.070 0.109 0.000 2.006 582 H HA 0.199 4.796 4.556 0.069 0.000 0.189 582 H C 0.109 175.607 175.328 0.284 0.000 0.887 582 H CA -0.501 55.654 56.048 0.178 0.000 0.958 582 H CB -0.070 29.744 29.762 0.086 0.000 1.163 582 H HN 0.207 nan 8.280 nan 0.000 0.364 583 V N 4.035 123.762 119.914 -0.311 0.000 2.557 583 V HA 0.117 4.279 4.120 0.070 0.000 0.301 583 V C 0.728 176.874 176.094 0.086 0.000 1.026 583 V CA 0.758 62.995 62.300 -0.106 0.000 1.137 583 V CB 0.457 32.166 31.823 -0.190 0.000 0.917 583 V HN 0.764 nan 8.190 nan 0.000 0.484 584 T N 2.009 116.555 114.554 -0.012 0.000 2.929 584 T HA 0.409 4.801 4.350 0.070 0.000 0.284 584 T C 0.795 175.413 174.700 -0.136 0.000 1.014 584 T CA -0.932 61.050 62.100 -0.198 0.000 1.051 584 T CB 1.647 70.319 68.868 -0.327 0.000 1.028 584 T HN 0.564 nan 8.240 nan 0.000 0.485 585 K N 0.615 120.823 120.400 -0.320 0.000 2.147 585 K HA -0.080 4.282 4.320 0.070 0.000 0.205 585 K C 2.052 178.566 176.600 -0.143 0.000 1.049 585 K CA 1.073 57.181 56.287 -0.300 0.000 0.936 585 K CB -0.124 32.147 32.500 -0.382 0.000 0.722 585 K HN 0.506 nan 8.250 nan 0.000 0.446 586 K N 0.945 121.258 120.400 -0.145 0.000 2.148 586 K HA -0.089 4.273 4.320 0.070 0.000 0.204 586 K C 2.031 178.597 176.600 -0.057 0.000 1.050 586 K CA 1.417 57.648 56.287 -0.094 0.000 0.942 586 K CB 0.011 32.451 32.500 -0.101 0.000 0.724 586 K HN 0.136 nan 8.250 nan 0.000 0.446 587 S N -1.294 114.376 115.700 -0.050 0.000 2.481 587 S HA 0.027 4.539 4.470 0.070 0.000 0.231 587 S C 1.669 176.271 174.600 0.003 0.000 0.996 587 S CA 0.808 58.999 58.200 -0.015 0.000 0.942 587 S CB -0.224 62.976 63.200 -0.000 0.000 0.768 587 S HN 0.464 nan 8.310 nan 0.000 0.520 588 G N 0.372 109.176 108.800 0.006 0.000 2.212 588 G HA2 -0.278 3.724 3.960 0.070 0.000 0.266 588 G HA3 -0.278 3.724 3.960 0.070 0.000 0.266 588 G C 0.191 175.118 174.900 0.045 0.000 0.978 588 G CA 0.222 45.335 45.100 0.022 0.000 0.632 588 G HN 0.745 nan 8.290 nan 0.000 0.537 589 V N 1.343 121.288 119.914 0.051 0.000 2.763 589 V HA 0.415 4.577 4.120 0.070 0.000 0.306 589 V C 1.390 177.520 176.094 0.060 0.000 1.059 589 V CA 0.746 63.075 62.300 0.050 0.000 1.138 589 V CB 1.551 33.401 31.823 0.045 0.000 0.940 589 V HN 0.573 nan 8.190 nan 0.000 0.489 590 S N 6.307 122.024 115.700 0.029 0.000 2.549 590 S HA 0.181 4.693 4.470 0.070 0.000 0.283 590 S C -0.821 173.740 174.600 -0.066 0.000 1.320 590 S CA -0.958 57.245 58.200 0.005 0.000 1.058 590 S CB 0.794 63.997 63.200 0.005 0.000 0.882 590 S HN 0.749 nan 8.310 nan 0.000 0.498 591 P HA 0.065 nan 4.420 nan 0.000 0.242 591 P C 0.750 177.973 177.300 -0.129 0.000 1.197 591 P CA 0.196 63.109 63.100 -0.311 0.000 0.765 591 P CB -0.438 30.960 31.700 -0.504 0.000 0.936 592 I N 0.000 120.537 120.570 -0.056 0.000 2.984 592 I HA 0.000 4.212 4.170 0.070 0.000 0.288 592 I CA 0.000 61.292 61.300 -0.013 0.000 1.566 592 I CB 0.000 38.002 38.000 0.003 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494