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 1x9s_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVSDIEANA LLESVTKFHC GVIYDYSTAE YVSYRPSDFG AYLDALEAEV DATA SEQUENCE ARGGLIVFHN GHKYDVPALT KLAKLQLNRE FHLPRENCID TLVLSRLIHS DATA SEQUENCE NLKDTDMGLL RSGKLPGXXX XXXALEAWGY RLGEMKGEYK DDFKRMLEEQ DATA SEQUENCE GEEYVDGMEW WNFNEEMMDY NVQDVVVTKA LLEKLLSDKH YFPPEIDFTD DATA SEQUENCE VGYTTFWSES LEAVDIEHRA AWLLAKQERN GFPFDTKAIE ELYVELAARR DATA SEQUENCE SELLRKLTET FGSWYQPKGG TEMFCHPRTG KPLPKYPRIK TPKVGGIFXX DATA SEQUENCE XXXXXXXXXX XXCELDTREY VAGAPYTPVE HVVFNPSSRD HIQKKLQEAG DATA SEQUENCE WVPTKYTDKG APVVDDEVLE GVRVDDPEKQ AAIDLIKEYL MIQKRIGQSA DATA SEQUENCE EGDKAWLRYV AEDGKIHGSV NPNGAVTGRA THAFPNLAQI PGVRSPYGEQ DATA SEQUENCE CRAAFGAEHH LDGITGKPWV QAGIDASGLE LRCLAHFMAR FDNGEYAHEI DATA SEQUENCE LNGDIHTKNQ IAAELPTRDN AKTFIYGFLY GAGDEKIGQI VGAGKERGKE DATA SEQUENCE LKKKFLENTP AIAALRESIQ QTLVEXXXXX XXXXXXKWKR RWIKGLDGRK DATA SEQUENCE VHVRSPHAAL NTLLQSAGAL ICKLWIIKTE EMLVEKGLKH GWDGDFAYMA DATA SEQUENCE WVHDEIQVGC RTEEIAQVVI ETAQEAMRWV GDHWNFRCLL DTEGKMGPNW DATA SEQUENCE AICH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.396 176.300 0.160 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.548 32.600 -0.087 0.000 1.302 2 I N 1.242 121.864 120.570 0.086 0.000 2.722 2 I HA 0.797 4.966 4.170 -0.002 0.000 0.295 2 I C -1.608 174.521 176.117 0.020 0.000 1.161 2 I CA -1.008 60.321 61.300 0.049 0.000 1.032 2 I CB 2.276 40.236 38.000 -0.065 0.000 1.244 2 I HN 0.402 nan 8.210 nan 0.000 0.421 3 V N 3.796 123.737 119.914 0.046 0.000 2.435 3 V HA 0.678 4.797 4.120 -0.002 0.000 0.290 3 V C 0.106 176.161 176.094 -0.064 0.000 1.030 3 V CA -0.138 62.158 62.300 -0.007 0.000 0.881 3 V CB 1.383 33.228 31.823 0.038 0.000 0.983 3 V HN 0.896 nan 8.190 nan 0.000 0.445 4 S N 2.559 118.148 115.700 -0.185 0.000 2.651 4 S HA 0.785 5.253 4.470 -0.002 0.000 0.279 4 S C -1.921 172.777 174.600 0.163 0.000 1.148 4 S CA -0.513 57.645 58.200 -0.070 0.000 0.837 4 S CB 2.089 65.158 63.200 -0.218 0.000 1.138 4 S HN 1.011 nan 8.310 nan 0.000 0.478 5 D N 0.025 120.663 120.400 0.396 0.000 2.722 5 D HA 0.472 5.111 4.640 -0.002 0.000 0.231 5 D C -1.185 175.320 176.300 0.342 0.000 1.218 5 D CA -0.460 53.826 54.000 0.476 0.000 0.753 5 D CB 0.932 41.932 40.800 0.333 0.000 1.471 5 D HN 0.708 nan 8.370 nan 0.000 0.455 6 I N -1.091 119.650 120.570 0.285 0.000 3.002 6 I HA 0.802 4.971 4.170 -0.002 0.000 0.310 6 I C -1.085 175.075 176.117 0.072 0.000 1.087 6 I CA -0.686 60.676 61.300 0.104 0.000 1.017 6 I CB 2.353 40.410 38.000 0.096 0.000 1.226 6 I HN 0.094 nan 8.210 nan 0.000 0.443 7 E N 2.862 123.032 120.200 -0.049 0.000 2.199 7 E HA 0.741 5.090 4.350 -0.002 0.000 0.265 7 E C -0.965 175.601 176.600 -0.057 0.000 0.882 7 E CA -0.686 55.733 56.400 0.032 0.000 0.759 7 E CB 2.063 31.860 29.700 0.161 0.000 1.148 7 E HN 0.883 nan 8.360 nan 0.000 0.412 8 A N 2.458 125.254 122.820 -0.039 0.000 2.483 8 A HA 0.442 4.760 4.320 -0.002 0.000 0.286 8 A C 0.494 178.013 177.584 -0.107 0.000 1.207 8 A CA -0.694 51.219 52.037 -0.207 0.000 0.764 8 A CB 0.773 19.696 19.000 -0.129 0.000 1.341 8 A HN 0.561 nan 8.150 nan 0.000 0.428 9 N N -0.259 118.278 118.700 -0.272 0.000 2.449 9 N HA 0.403 5.142 4.740 -0.002 0.000 0.191 9 N C 0.010 175.574 175.510 0.091 0.000 1.161 9 N CA 0.958 54.072 53.050 0.108 0.000 0.863 9 N CB 0.159 38.691 38.487 0.075 0.000 0.980 9 N HN 1.236 nan 8.380 nan 0.000 0.458 10 A N -0.652 122.131 122.820 -0.060 0.000 2.410 10 A HA 0.466 4.784 4.320 -0.002 0.000 0.300 10 A C -1.391 176.136 177.584 -0.094 0.000 1.077 10 A CA -0.884 51.106 52.037 -0.079 0.000 0.610 10 A CB -0.034 18.964 19.000 -0.002 0.000 1.371 10 A HN 0.079 nan 8.150 nan 0.000 0.510 11 L N 1.105 122.276 121.223 -0.087 0.000 2.436 11 L HA 0.196 4.535 4.340 -0.002 0.000 0.265 11 L C 1.895 178.832 176.870 0.111 0.000 1.168 11 L CA -0.498 54.316 54.840 -0.042 0.000 0.815 11 L CB 0.508 42.515 42.059 -0.086 0.000 1.109 11 L HN 0.931 nan 8.230 nan 0.000 0.462 12 L N 1.980 123.360 121.223 0.262 0.000 2.011 12 L HA -0.306 4.033 4.340 -0.002 0.000 0.225 12 L C 2.262 179.122 176.870 -0.017 0.000 1.084 12 L CA 2.091 56.986 54.840 0.091 0.000 0.791 12 L CB -0.581 41.511 42.059 0.054 0.000 0.898 12 L HN 0.667 nan 8.230 nan 0.000 0.440 13 E N 0.064 120.244 120.200 -0.034 0.000 2.136 13 E HA -0.212 4.137 4.350 -0.002 0.000 0.202 13 E C 1.932 178.494 176.600 -0.063 0.000 1.019 13 E CA 1.925 58.278 56.400 -0.078 0.000 0.819 13 E CB -0.533 29.115 29.700 -0.086 0.000 0.739 13 E HN 0.793 nan 8.360 nan 0.000 0.458 14 S N -1.223 114.452 115.700 -0.041 0.000 2.846 14 S HA 0.253 4.721 4.470 -0.002 0.000 0.249 14 S C 0.287 174.867 174.600 -0.034 0.000 1.028 14 S CA -0.507 57.670 58.200 -0.038 0.000 1.043 14 S CB 0.192 63.374 63.200 -0.031 0.000 0.990 14 S HN 0.073 nan 8.310 nan 0.000 0.564 15 V N 3.432 123.325 119.914 -0.034 0.000 2.740 15 V HA 0.418 4.536 4.120 -0.002 0.000 0.303 15 V C 1.137 177.190 176.094 -0.068 0.000 1.054 15 V CA 1.488 63.760 62.300 -0.047 0.000 1.106 15 V CB 1.296 33.092 31.823 -0.046 0.000 0.957 15 V HN 0.741 nan 8.190 nan 0.000 0.486 16 T N 2.166 116.672 114.554 -0.081 0.000 3.131 16 T HA 0.344 4.692 4.350 -0.002 0.000 0.283 16 T C 0.229 174.864 174.700 -0.109 0.000 0.906 16 T CA -0.222 61.831 62.100 -0.079 0.000 0.882 16 T CB -0.005 68.830 68.868 -0.055 0.000 1.208 16 T HN 0.533 nan 8.240 nan 0.000 0.561 17 K N 0.968 121.267 120.400 -0.169 0.000 2.471 17 K HA 0.553 4.871 4.320 -0.002 0.000 0.252 17 K C -1.938 174.422 176.600 -0.400 0.000 0.938 17 K CA -1.011 55.131 56.287 -0.241 0.000 0.796 17 K CB 1.926 34.303 32.500 -0.206 0.000 1.161 17 K HN 0.220 nan 8.250 nan 0.000 0.425 18 F N 5.248 124.858 119.950 -0.566 0.000 2.404 18 F HA 0.224 4.750 4.527 -0.002 0.000 0.359 18 F C 0.816 176.362 175.800 -0.423 0.000 1.134 18 F CA -0.050 57.556 58.000 -0.657 0.000 1.160 18 F CB 0.377 38.601 39.000 -1.293 0.000 1.186 18 F HN 0.700 nan 8.300 nan 0.000 0.526 19 H N 4.983 123.684 119.070 -0.614 0.000 2.307 19 H HA 0.082 4.636 4.556 -0.002 0.000 0.303 19 H C 0.780 175.617 175.328 -0.819 0.000 1.073 19 H CA 1.326 57.118 56.048 -0.427 0.000 1.338 19 H CB -0.137 29.621 29.762 -0.006 0.000 1.389 19 H HN 0.654 nan 8.280 nan 0.000 0.503 20 C N -2.464 116.261 119.300 -0.958 0.000 3.275 20 C HA 0.797 5.256 4.460 -0.002 0.000 0.340 20 C C 0.218 174.846 174.990 -0.604 0.000 1.366 20 C CA -0.395 58.147 59.018 -0.793 0.000 1.227 20 C CB 1.463 29.087 27.740 -0.194 0.000 1.512 20 C HN 0.583 nan 8.230 nan 0.000 0.461 21 G N -0.429 108.268 108.800 -0.172 0.000 2.690 21 G HA2 0.787 4.746 3.960 -0.002 0.000 0.291 21 G HA3 0.787 4.746 3.960 -0.002 0.000 0.291 21 G C -2.008 173.037 174.900 0.242 0.000 1.403 21 G CA -0.579 44.461 45.100 -0.101 0.000 0.864 21 G HN 1.512 nan 8.290 nan 0.000 0.480 22 V N 0.471 120.577 119.914 0.320 0.000 2.888 22 V HA 0.617 4.736 4.120 -0.002 0.000 0.309 22 V C -0.714 175.624 176.094 0.407 0.000 1.114 22 V CA -0.555 61.991 62.300 0.410 0.000 0.940 22 V CB 1.908 33.922 31.823 0.319 0.000 1.021 22 V HN 0.687 nan 8.190 nan 0.000 0.426 23 I N 3.732 124.533 120.570 0.386 0.000 2.582 23 I HA 0.450 4.619 4.170 -0.002 0.000 0.292 23 I C -1.612 174.538 176.117 0.055 0.000 1.066 23 I CA -0.792 60.633 61.300 0.209 0.000 1.053 23 I CB 2.261 40.376 38.000 0.192 0.000 1.241 23 I HN 0.690 nan 8.210 nan 0.000 0.421 24 Y N 5.356 125.516 120.300 -0.233 0.000 2.328 24 Y HA 0.453 5.002 4.550 -0.002 0.000 0.337 24 Y C -0.900 174.789 175.900 -0.352 0.000 0.966 24 Y CA -0.597 57.186 58.100 -0.528 0.000 1.136 24 Y CB 1.197 39.136 38.460 -0.867 0.000 1.170 24 Y HN 0.462 nan 8.280 nan 0.000 0.470 25 D N 4.826 124.679 120.400 -0.912 0.000 2.349 25 D HA 0.108 4.747 4.640 -0.002 0.000 0.232 25 D C 0.110 175.921 176.300 -0.816 0.000 1.071 25 D CA -0.138 53.506 54.000 -0.593 0.000 0.832 25 D CB 0.663 41.273 40.800 -0.315 0.000 1.086 25 D HN 0.687 nan 8.370 nan 0.000 0.504 26 Y N 1.729 121.770 120.300 -0.432 0.000 2.224 26 Y HA -0.225 4.324 4.550 -0.002 0.000 0.289 26 Y C 2.614 178.414 175.900 -0.167 0.000 1.146 26 Y CA 1.717 59.691 58.100 -0.209 0.000 1.182 26 Y CB -0.123 38.331 38.460 -0.009 0.000 0.983 26 Y HN 0.485 nan 8.280 nan 0.000 0.524 27 S N -1.548 114.145 115.700 -0.012 0.000 2.474 27 S HA -0.132 4.337 4.470 -0.002 0.000 0.235 27 S C 1.588 176.150 174.600 -0.064 0.000 0.997 27 S CA 1.399 59.586 58.200 -0.023 0.000 0.949 27 S CB -0.704 62.479 63.200 -0.029 0.000 0.766 27 S HN 0.543 nan 8.310 nan 0.000 0.517 28 T N -4.209 110.258 114.554 -0.144 0.000 3.087 28 T HA 0.646 4.995 4.350 -0.002 0.000 0.283 28 T C 0.929 175.529 174.700 -0.166 0.000 0.956 28 T CA 0.627 62.649 62.100 -0.130 0.000 0.894 28 T CB -0.045 68.749 68.868 -0.124 0.000 1.160 28 T HN 1.307 nan 8.240 nan 0.000 0.532 29 A N 0.683 123.323 122.820 -0.299 0.000 2.826 29 A HA -0.174 4.145 4.320 -0.002 0.000 0.274 29 A C 0.084 177.565 177.584 -0.171 0.000 1.443 29 A CA 1.480 53.366 52.037 -0.251 0.000 0.833 29 A CB -2.358 16.653 19.000 0.018 0.000 1.023 29 A HN 0.780 nan 8.150 nan 0.000 0.600 30 E N -1.952 118.044 120.200 -0.341 0.000 2.299 30 E HA 0.634 4.982 4.350 -0.002 0.000 0.265 30 E C -1.221 175.324 176.600 -0.093 0.000 0.911 30 E CA -0.842 55.516 56.400 -0.071 0.000 0.789 30 E CB 1.083 30.766 29.700 -0.029 0.000 1.246 30 E HN 0.356 nan 8.360 nan 0.000 0.427 31 Y N 0.431 120.761 120.300 0.050 0.000 2.342 31 Y HA 0.300 4.849 4.550 -0.002 0.000 0.338 31 Y C -0.264 175.672 175.900 0.061 0.000 0.965 31 Y CA -0.640 57.521 58.100 0.103 0.000 1.159 31 Y CB 1.288 39.825 38.460 0.129 0.000 1.157 31 Y HN 0.149 nan 8.280 nan 0.000 0.486 32 V N 3.408 123.439 119.914 0.195 0.000 2.435 32 V HA 0.438 4.557 4.120 -0.002 0.000 0.290 32 V C -0.173 175.993 176.094 0.120 0.000 1.030 32 V CA -0.659 61.691 62.300 0.082 0.000 0.881 32 V CB 1.752 33.583 31.823 0.014 0.000 0.983 32 V HN 0.767 nan 8.190 nan 0.000 0.445 33 S N 3.793 119.486 115.700 -0.011 0.000 2.525 33 S HA 0.722 5.191 4.470 -0.002 0.000 0.290 33 S C -1.252 173.287 174.600 -0.101 0.000 1.152 33 S CA -0.340 57.909 58.200 0.082 0.000 1.072 33 S CB 0.873 64.129 63.200 0.095 0.000 1.027 33 S HN 0.541 nan 8.310 nan 0.000 0.500 34 Y N 1.411 121.799 120.300 0.147 0.000 2.332 34 Y HA 0.427 4.975 4.550 -0.002 0.000 0.326 34 Y C 0.671 176.589 175.900 0.029 0.000 0.978 34 Y CA -0.793 57.398 58.100 0.152 0.000 1.205 34 Y CB 0.937 39.581 38.460 0.306 0.000 1.131 34 Y HN 0.449 nan 8.280 nan 0.000 0.462 35 R N 3.289 123.812 120.500 0.039 0.000 2.541 35 R HA 0.286 4.625 4.340 -0.002 0.000 0.263 35 R C -1.654 174.532 176.300 -0.190 0.000 1.112 35 R CA -1.744 54.169 56.100 -0.311 0.000 1.170 35 R CB 0.126 30.215 30.300 -0.351 0.000 1.167 35 R HN 0.309 nan 8.270 nan 0.000 0.582 36 P HA -0.313 nan 4.420 nan 0.000 0.224 36 P C 0.807 178.187 177.300 0.133 0.000 1.153 36 P CA 2.092 65.123 63.100 -0.115 0.000 0.947 36 P CB 0.006 31.613 31.700 -0.155 0.000 0.790 37 S N -2.732 113.016 115.700 0.079 0.000 2.701 37 S HA 0.012 4.481 4.470 -0.002 0.000 0.220 37 S C 0.861 175.562 174.600 0.168 0.000 0.954 37 S CA 0.353 58.628 58.200 0.124 0.000 0.936 37 S CB -0.659 62.586 63.200 0.074 0.000 0.777 37 S HN 0.136 nan 8.310 nan 0.000 0.518 38 D N 0.303 120.856 120.400 0.254 0.000 2.395 38 D HA 0.205 4.843 4.640 -0.002 0.000 0.213 38 D C 0.793 177.328 176.300 0.390 0.000 1.110 38 D CA -0.210 53.985 54.000 0.324 0.000 0.835 38 D CB -0.099 40.938 40.800 0.395 0.000 0.965 38 D HN 0.336 nan 8.370 nan 0.000 0.505 39 F N 2.574 122.591 119.950 0.113 0.000 2.126 39 F HA -0.101 4.425 4.527 -0.002 0.000 0.299 39 F C 2.199 177.842 175.800 -0.261 0.000 1.096 39 F CA 1.670 59.490 58.000 -0.301 0.000 1.255 39 F CB -0.627 38.109 39.000 -0.440 0.000 0.997 39 F HN 0.013 nan 8.300 nan 0.000 0.479 40 G N -0.599 108.054 108.800 -0.246 0.000 2.422 40 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.218 40 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.218 40 G C 1.826 176.592 174.900 -0.223 0.000 1.146 40 G CA 0.890 45.785 45.100 -0.341 0.000 0.769 40 G HN 0.623 nan 8.290 nan 0.000 0.547 41 A N -0.168 122.633 122.820 -0.032 0.000 1.929 41 A HA 0.054 4.373 4.320 -0.002 0.000 0.216 41 A C 2.158 179.725 177.584 -0.028 0.000 1.176 41 A CA 1.543 53.625 52.037 0.076 0.000 0.628 41 A CB -0.609 18.558 19.000 0.278 0.000 0.816 41 A HN 0.440 nan 8.150 nan 0.000 0.444 42 Y N 0.799 120.919 120.300 -0.301 0.000 2.097 42 Y HA -0.204 4.345 4.550 -0.002 0.000 0.282 42 Y C 1.927 177.540 175.900 -0.480 0.000 1.152 42 Y CA 1.970 59.629 58.100 -0.734 0.000 1.136 42 Y CB -0.400 37.741 38.460 -0.530 0.000 0.975 42 Y HN 0.215 nan 8.280 nan 0.000 0.498 43 L N -0.182 120.697 121.223 -0.573 0.000 2.083 43 L HA -0.234 4.105 4.340 -0.002 0.000 0.209 43 L C 2.110 178.804 176.870 -0.294 0.000 1.083 43 L CA 1.495 55.943 54.840 -0.652 0.000 0.752 43 L CB -0.646 40.848 42.059 -0.941 0.000 0.899 43 L HN 0.213 nan 8.230 nan 0.000 0.433 44 D N 0.325 120.584 120.400 -0.235 0.000 2.117 44 D HA -0.155 4.484 4.640 -0.002 0.000 0.197 44 D C 2.262 178.497 176.300 -0.108 0.000 0.987 44 D CA 1.504 55.437 54.000 -0.112 0.000 0.829 44 D CB -0.048 40.709 40.800 -0.072 0.000 0.961 44 D HN 0.309 nan 8.370 nan 0.000 0.460 45 A N 0.729 123.445 122.820 -0.174 0.000 1.940 45 A HA -0.137 4.182 4.320 -0.002 0.000 0.219 45 A C 2.394 179.870 177.584 -0.180 0.000 1.176 45 A CA 0.979 52.921 52.037 -0.159 0.000 0.631 45 A CB -0.702 18.184 19.000 -0.190 0.000 0.814 45 A HN 0.211 nan 8.150 nan 0.000 0.446 46 L N -1.051 120.025 121.223 -0.246 0.000 2.072 46 L HA -0.143 4.196 4.340 -0.002 0.000 0.205 46 L C 2.503 179.350 176.870 -0.038 0.000 1.079 46 L CA 1.433 56.196 54.840 -0.129 0.000 0.752 46 L CB -0.642 41.394 42.059 -0.038 0.000 0.906 46 L HN 0.438 nan 8.230 nan 0.000 0.436 47 E N 0.379 120.584 120.200 0.009 0.000 2.204 47 E HA -0.174 4.174 4.350 -0.002 0.000 0.194 47 E C 2.276 178.850 176.600 -0.043 0.000 0.989 47 E CA 0.935 57.319 56.400 -0.026 0.000 0.824 47 E CB -0.091 29.614 29.700 0.009 0.000 0.756 47 E HN 0.484 nan 8.360 nan 0.000 0.477 48 A N 1.476 124.270 122.820 -0.043 0.000 1.902 48 A HA -0.229 4.090 4.320 -0.002 0.000 0.217 48 A C 2.083 179.644 177.584 -0.038 0.000 1.181 48 A CA 1.613 53.627 52.037 -0.038 0.000 0.623 48 A CB -0.331 18.647 19.000 -0.036 0.000 0.818 48 A HN 0.113 nan 8.150 nan 0.000 0.443 49 E N -0.150 120.020 120.200 -0.049 0.000 2.268 49 E HA -0.076 4.273 4.350 -0.002 0.000 0.195 49 E C 1.623 178.201 176.600 -0.036 0.000 0.995 49 E CA 1.247 57.621 56.400 -0.044 0.000 0.836 49 E CB -0.242 29.422 29.700 -0.059 0.000 0.763 49 E HN 0.299 nan 8.360 nan 0.000 0.491 50 V N 0.156 120.040 119.914 -0.050 0.000 2.535 50 V HA -0.031 4.087 4.120 -0.002 0.000 0.246 50 V C 2.270 178.344 176.094 -0.034 0.000 1.045 50 V CA 1.312 63.574 62.300 -0.062 0.000 1.058 50 V CB -0.601 31.158 31.823 -0.105 0.000 0.689 50 V HN 0.388 nan 8.190 nan 0.000 0.461 51 A N 1.620 124.422 122.820 -0.030 0.000 1.972 51 A HA -0.199 4.120 4.320 -0.002 0.000 0.219 51 A C 2.182 179.769 177.584 0.005 0.000 1.169 51 A CA 1.712 53.740 52.037 -0.015 0.000 0.635 51 A CB -0.452 18.537 19.000 -0.020 0.000 0.810 51 A HN 0.709 nan 8.150 nan 0.000 0.446 52 R N -0.868 119.636 120.500 0.005 0.000 2.391 52 R HA 0.345 4.684 4.340 -0.002 0.000 0.249 52 R C 0.916 177.241 176.300 0.042 0.000 0.957 52 R CA 0.556 56.664 56.100 0.013 0.000 1.093 52 R CB -0.839 29.460 30.300 -0.002 0.000 1.156 52 R HN 0.653 nan 8.270 nan 0.000 0.526 53 G N 0.326 109.179 108.800 0.090 0.000 2.249 53 G HA2 -0.286 3.672 3.960 -0.002 0.000 0.273 53 G HA3 -0.286 3.672 3.960 -0.002 0.000 0.273 53 G C 0.341 175.369 174.900 0.212 0.000 1.036 53 G CA 0.092 45.325 45.100 0.222 0.000 0.824 53 G HN 0.687 nan 8.290 nan 0.000 0.504 54 G N -1.352 107.507 108.800 0.097 0.000 2.494 54 G HA2 0.706 4.665 3.960 -0.002 0.000 0.270 54 G HA3 0.706 4.665 3.960 -0.002 0.000 0.270 54 G C -0.134 174.777 174.900 0.019 0.000 1.423 54 G CA -0.751 44.373 45.100 0.040 0.000 1.055 54 G HN 0.789 nan 8.290 nan 0.000 0.536 55 L N -0.738 120.452 121.223 -0.055 0.000 2.422 55 L HA 0.522 4.860 4.340 -0.002 0.000 0.264 55 L C -0.959 175.847 176.870 -0.107 0.000 0.984 55 L CA -0.566 54.200 54.840 -0.123 0.000 0.819 55 L CB 2.627 44.520 42.059 -0.277 0.000 1.330 55 L HN 0.302 nan 8.230 nan 0.000 0.410 56 I N 2.600 123.118 120.570 -0.085 0.000 2.418 56 I HA 0.413 4.582 4.170 -0.002 0.000 0.287 56 I C -0.705 175.353 176.117 -0.099 0.000 1.008 56 I CA -0.826 60.405 61.300 -0.114 0.000 1.104 56 I CB 2.127 40.083 38.000 -0.074 0.000 1.264 56 I HN 0.132 nan 8.210 nan 0.000 0.438 57 V N 6.765 126.578 119.914 -0.168 0.000 2.427 57 V HA 0.479 4.597 4.120 -0.002 0.000 0.286 57 V C -0.510 175.505 176.094 -0.132 0.000 1.034 57 V CA -0.278 61.993 62.300 -0.049 0.000 0.893 57 V CB 1.247 33.078 31.823 0.014 0.000 0.982 57 V HN 0.400 nan 8.190 nan 0.000 0.452 58 F N 1.893 121.972 119.950 0.215 0.000 2.620 58 F HA 0.520 5.046 4.527 -0.002 0.000 0.320 58 F C -0.205 175.748 175.800 0.254 0.000 1.069 58 F CA -0.923 57.221 58.000 0.240 0.000 0.953 58 F CB 1.843 40.996 39.000 0.256 0.000 1.322 58 F HN 0.506 nan 8.300 nan 0.000 0.479 59 H N 1.328 120.634 119.070 0.393 0.000 2.595 59 H HA 0.306 4.861 4.556 -0.002 0.000 0.313 59 H C 0.129 175.594 175.328 0.228 0.000 1.023 59 H CA -0.482 55.717 56.048 0.251 0.000 1.218 59 H CB 0.545 30.423 29.762 0.194 0.000 1.403 59 H HN 0.571 nan 8.280 nan 0.000 0.477 60 N N 2.370 121.016 118.700 -0.090 0.000 2.776 60 N HA -0.160 4.578 4.740 -0.002 0.000 0.250 60 N C 1.140 176.711 175.510 0.100 0.000 1.112 60 N CA 1.085 54.118 53.050 -0.027 0.000 0.733 60 N CB -1.113 37.354 38.487 -0.033 0.000 1.097 60 N HN 0.853 nan 8.380 nan 0.000 0.558 61 G N -1.385 107.519 108.800 0.174 0.000 2.464 61 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.217 61 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.217 61 G C 1.114 176.030 174.900 0.027 0.000 1.138 61 G CA 0.928 46.029 45.100 0.003 0.000 0.793 61 G HN 0.574 nan 8.290 nan 0.000 0.539 62 H N 0.230 119.301 119.070 0.002 0.000 2.421 62 H HA 0.102 4.656 4.556 -0.002 0.000 0.298 62 H C 2.419 177.622 175.328 -0.208 0.000 1.087 62 H CA 1.193 57.199 56.048 -0.069 0.000 1.330 62 H CB 0.213 30.019 29.762 0.074 0.000 1.388 62 H HN 0.274 nan 8.280 nan 0.000 0.526 63 K N -1.579 118.827 120.400 0.010 0.000 2.284 63 K HA -0.020 4.298 4.320 -0.002 0.000 0.198 63 K C 1.026 177.623 176.600 -0.005 0.000 1.048 63 K CA 0.400 56.671 56.287 -0.027 0.000 0.987 63 K CB 0.449 32.966 32.500 0.029 0.000 0.800 63 K HN 0.222 nan 8.250 nan 0.000 0.486 64 Y N 1.181 121.397 120.300 -0.140 0.000 2.891 64 Y HA 0.016 4.565 4.550 -0.002 0.000 0.228 64 Y C 1.144 176.924 175.900 -0.201 0.000 1.000 64 Y CA 0.718 58.726 58.100 -0.154 0.000 1.491 64 Y CB -0.134 38.253 38.460 -0.122 0.000 1.394 64 Y HN -0.086 nan 8.280 nan 0.000 0.477 65 D N 0.335 120.488 120.400 -0.411 0.000 2.126 65 D HA -0.232 4.407 4.640 -0.002 0.000 0.190 65 D C 2.221 178.206 176.300 -0.524 0.000 1.001 65 D CA 2.520 56.170 54.000 -0.584 0.000 0.841 65 D CB -0.522 39.796 40.800 -0.804 0.000 0.949 65 D HN 0.247 nan 8.370 nan 0.000 0.446 66 V N 0.769 120.391 119.914 -0.488 0.000 2.270 66 V HA -0.147 3.971 4.120 -0.002 0.000 0.245 66 V C -0.785 175.158 176.094 -0.252 0.000 1.043 66 V CA 1.733 63.862 62.300 -0.285 0.000 1.014 66 V CB -1.270 30.391 31.823 -0.270 0.000 0.645 66 V HN 0.187 nan 8.190 nan 0.000 0.447 67 P HA -0.069 nan 4.420 nan 0.000 0.219 67 P C 1.623 178.773 177.300 -0.251 0.000 1.150 67 P CA 1.692 64.623 63.100 -0.282 0.000 0.814 67 P CB -0.100 31.420 31.700 -0.299 0.000 0.787 68 A N -0.276 122.321 122.820 -0.373 0.000 1.877 68 A HA -0.163 4.156 4.320 -0.002 0.000 0.216 68 A C 2.190 179.645 177.584 -0.216 0.000 1.186 68 A CA 1.419 53.214 52.037 -0.404 0.000 0.620 68 A CB -1.668 16.843 19.000 -0.815 0.000 0.822 68 A HN 0.095 nan 8.150 nan 0.000 0.443 69 L N -0.661 120.474 121.223 -0.146 0.000 2.042 69 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 69 L C 2.830 179.706 176.870 0.009 0.000 1.076 69 L CA 1.793 56.624 54.840 -0.016 0.000 0.749 69 L CB -0.999 41.099 42.059 0.064 0.000 0.893 69 L HN 0.371 nan 8.230 nan 0.000 0.432 70 T N -0.482 114.093 114.554 0.034 0.000 2.622 70 T HA -0.287 4.062 4.350 -0.002 0.000 0.266 70 T C 1.914 176.586 174.700 -0.046 0.000 1.047 70 T CA 1.847 63.937 62.100 -0.016 0.000 1.159 70 T CB -0.151 68.670 68.868 -0.078 0.000 0.863 70 T HN 0.260 nan 8.240 nan 0.000 0.422 71 K N 0.645 121.009 120.400 -0.060 0.000 2.009 71 K HA -0.044 4.274 4.320 -0.002 0.000 0.210 71 K C 2.307 178.890 176.600 -0.028 0.000 1.049 71 K CA 1.290 57.546 56.287 -0.052 0.000 0.929 71 K CB -0.368 32.083 32.500 -0.081 0.000 0.714 71 K HN 0.273 nan 8.250 nan 0.000 0.440 72 L N 0.425 121.631 121.223 -0.028 0.000 2.191 72 L HA -0.155 4.184 4.340 -0.002 0.000 0.212 72 L C 2.592 179.566 176.870 0.174 0.000 1.103 72 L CA 1.041 55.887 54.840 0.009 0.000 0.769 72 L CB -0.520 41.475 42.059 -0.106 0.000 0.908 72 L HN 0.345 nan 8.230 nan 0.000 0.438 73 A N 0.150 123.047 122.820 0.129 0.000 1.930 73 A HA -0.214 4.105 4.320 -0.002 0.000 0.217 73 A C 2.317 179.895 177.584 -0.011 0.000 1.175 73 A CA 1.716 53.746 52.037 -0.011 0.000 0.627 73 A CB -0.280 18.588 19.000 -0.221 0.000 0.815 73 A HN 0.204 nan 8.150 nan 0.000 0.443 74 K N -0.134 120.264 120.400 -0.004 0.000 2.155 74 K HA 0.118 4.436 4.320 -0.002 0.000 0.203 74 K C 1.647 178.255 176.600 0.012 0.000 1.052 74 K CA 1.119 57.407 56.287 0.001 0.000 0.948 74 K CB -0.437 32.066 32.500 0.006 0.000 0.728 74 K HN 0.442 nan 8.250 nan 0.000 0.448 75 L N 0.028 121.262 121.223 0.019 0.000 2.095 75 L HA -0.065 4.274 4.340 -0.002 0.000 0.204 75 L C 2.196 179.084 176.870 0.030 0.000 1.080 75 L CA 1.152 56.001 54.840 0.015 0.000 0.759 75 L CB -0.099 41.959 42.059 -0.002 0.000 0.914 75 L HN 0.235 nan 8.230 nan 0.000 0.439 76 Q N -0.895 118.947 119.800 0.069 0.000 2.391 76 Q HA 0.120 4.459 4.340 -0.002 0.000 0.211 76 Q C 1.312 177.362 176.000 0.083 0.000 0.908 76 Q CA 0.565 56.423 55.803 0.091 0.000 0.920 76 Q CB 0.652 29.476 28.738 0.144 0.000 1.056 76 Q HN 0.461 nan 8.270 nan 0.000 0.523 77 L N 0.049 121.303 121.223 0.051 0.000 3.135 77 L HA 0.248 4.587 4.340 -0.002 0.000 0.279 77 L C -0.004 176.851 176.870 -0.025 0.000 1.200 77 L CA -0.420 54.413 54.840 -0.011 0.000 1.016 77 L CB 0.338 42.334 42.059 -0.105 0.000 1.391 77 L HN 0.124 nan 8.230 nan 0.000 0.588 78 N N 2.561 121.257 118.700 -0.007 0.000 2.707 78 N HA -0.257 4.481 4.740 -0.002 0.000 0.253 78 N C -0.109 175.391 175.510 -0.017 0.000 0.998 78 N CA 0.669 53.715 53.050 -0.006 0.000 0.751 78 N CB -0.462 38.023 38.487 -0.002 0.000 0.920 78 N HN 0.439 nan 8.380 nan 0.000 0.539 79 R N 0.403 120.882 120.500 -0.034 0.000 2.670 79 R HA 0.297 4.635 4.340 -0.002 0.000 0.289 79 R C -0.914 175.376 176.300 -0.017 0.000 0.965 79 R CA -0.614 55.462 56.100 -0.040 0.000 0.899 79 R CB 0.937 31.176 30.300 -0.102 0.000 1.173 79 R HN 0.121 nan 8.270 nan 0.000 0.456 80 E N 3.430 123.644 120.200 0.023 0.000 2.227 80 E HA 0.207 4.555 4.350 -0.002 0.000 0.282 80 E C -1.274 175.335 176.600 0.015 0.000 1.015 80 E CA -0.121 56.313 56.400 0.057 0.000 0.823 80 E CB 1.205 31.005 29.700 0.168 0.000 1.081 80 E HN 0.382 nan 8.360 nan 0.000 0.396 81 F N 3.400 123.047 119.950 -0.504 0.000 2.607 81 F HA 0.264 4.790 4.527 -0.002 0.000 0.322 81 F C -1.112 174.197 175.800 -0.818 0.000 1.176 81 F CA -0.494 57.236 58.000 -0.451 0.000 0.977 81 F CB 1.200 40.004 39.000 -0.326 0.000 1.242 81 F HN 0.365 nan 8.300 nan 0.000 0.465 82 H N 7.776 126.544 119.070 -0.503 0.000 3.021 82 H HA 0.258 4.812 4.556 -0.002 0.000 0.293 82 H C -0.764 174.320 175.328 -0.405 0.000 1.244 82 H CA -0.584 55.268 56.048 -0.326 0.000 1.596 82 H CB 1.501 31.172 29.762 -0.153 0.000 1.720 82 H HN 0.522 nan 8.280 nan 0.000 0.537 83 L N 4.206 125.209 121.223 -0.366 0.000 2.559 83 L HA 0.072 4.411 4.340 -0.002 0.000 0.274 83 L C -1.885 174.975 176.870 -0.017 0.000 1.205 83 L CA -1.298 53.421 54.840 -0.201 0.000 0.907 83 L CB 0.091 42.152 42.059 0.003 0.000 1.153 83 L HN 0.196 nan 8.230 nan 0.000 0.490 84 P HA 0.106 nan 4.420 nan 0.000 0.275 84 P C 0.289 177.279 177.300 -0.516 0.000 1.227 84 P CA -0.520 62.424 63.100 -0.260 0.000 0.781 84 P CB 0.709 32.236 31.700 -0.287 0.000 0.906 85 R N 4.003 123.883 120.500 -1.033 0.000 2.113 85 R HA -0.224 4.115 4.340 -0.002 0.000 0.244 85 R C 1.633 177.454 176.300 -0.797 0.000 1.142 85 R CA 2.180 57.181 56.100 -1.831 0.000 0.953 85 R CB -0.455 28.594 30.300 -2.084 0.000 0.860 85 R HN 0.632 nan 8.270 nan 0.000 0.438 86 E N -0.096 119.777 120.200 -0.545 0.000 2.333 86 E HA -0.188 4.161 4.350 -0.002 0.000 0.198 86 E C 0.626 177.226 176.600 0.000 0.000 1.007 86 E CA 1.584 57.851 56.400 -0.222 0.000 0.845 86 E CB -0.404 29.150 29.700 -0.244 0.000 0.766 86 E HN 0.498 nan 8.360 nan 0.000 0.507 87 N N -0.395 118.163 118.700 -0.236 0.000 2.336 87 N HA 0.084 4.822 4.740 -0.002 0.000 0.189 87 N C -0.629 174.895 175.510 0.023 0.000 1.113 87 N CA 0.089 53.044 53.050 -0.158 0.000 0.858 87 N CB 0.480 38.828 38.487 -0.231 0.000 0.970 87 N HN 0.122 nan 8.380 nan 0.000 0.471 88 C N 0.862 120.255 119.300 0.155 0.000 2.382 88 C HA 0.564 5.023 4.460 -0.002 0.000 0.327 88 C C 0.152 175.448 174.990 0.509 0.000 1.250 88 C CA -1.206 58.023 59.018 0.353 0.000 1.707 88 C CB 0.166 28.214 27.740 0.514 0.000 2.272 88 C HN 0.230 nan 8.230 nan 0.000 0.506 89 I N 2.424 123.203 120.570 0.349 0.000 2.474 89 I HA 0.345 4.514 4.170 -0.002 0.000 0.294 89 I C -0.678 175.701 176.117 0.436 0.000 1.005 89 I CA 0.092 61.555 61.300 0.271 0.000 1.113 89 I CB 1.590 39.495 38.000 -0.159 0.000 1.289 89 I HN 0.596 nan 8.210 nan 0.000 0.436 90 D N 3.993 124.685 120.400 0.487 0.000 2.471 90 D HA 0.142 4.781 4.640 -0.002 0.000 0.245 90 D C 1.009 177.414 176.300 0.175 0.000 1.116 90 D CA -0.287 53.841 54.000 0.214 0.000 0.853 90 D CB 1.762 42.459 40.800 -0.173 0.000 1.123 90 D HN 0.693 nan 8.370 nan 0.000 0.540 91 T N 1.308 115.993 114.554 0.218 0.000 2.977 91 T HA -0.171 4.177 4.350 -0.002 0.000 0.271 91 T C 1.823 176.604 174.700 0.134 0.000 1.105 91 T CA 0.403 62.647 62.100 0.240 0.000 1.116 91 T CB 0.061 69.151 68.868 0.370 0.000 0.878 91 T HN 0.305 nan 8.240 nan 0.000 0.509 92 L N 1.111 122.250 121.223 -0.141 0.000 2.072 92 L HA 0.200 4.538 4.340 -0.002 0.000 0.205 92 L C 2.557 179.362 176.870 -0.108 0.000 1.079 92 L CA 1.147 55.841 54.840 -0.244 0.000 0.752 92 L CB -0.681 41.095 42.059 -0.471 0.000 0.906 92 L HN 0.130 nan 8.230 nan 0.000 0.436 93 V N -0.306 119.513 119.914 -0.158 0.000 2.407 93 V HA -0.295 3.823 4.120 -0.002 0.000 0.248 93 V C 2.579 178.587 176.094 -0.143 0.000 1.055 93 V CA 1.911 64.083 62.300 -0.214 0.000 1.049 93 V CB -0.498 31.030 31.823 -0.492 0.000 0.662 93 V HN 0.420 nan 8.190 nan 0.000 0.455 94 L N -0.446 120.747 121.223 -0.050 0.000 2.056 94 L HA -0.142 4.196 4.340 -0.002 0.000 0.207 94 L C 2.602 179.431 176.870 -0.068 0.000 1.078 94 L CA 1.660 56.517 54.840 0.028 0.000 0.749 94 L CB -0.418 41.747 42.059 0.176 0.000 0.901 94 L HN 0.347 nan 8.230 nan 0.000 0.433 95 S N -0.445 115.241 115.700 -0.025 0.000 2.383 95 S HA -0.133 4.336 4.470 -0.002 0.000 0.227 95 S C 1.916 176.479 174.600 -0.062 0.000 1.026 95 S CA 0.976 59.142 58.200 -0.058 0.000 0.981 95 S CB -0.195 63.086 63.200 0.135 0.000 0.818 95 S HN 0.379 nan 8.310 nan 0.000 0.472 96 R N 0.395 120.880 120.500 -0.025 0.000 2.189 96 R HA 0.038 4.376 4.340 -0.002 0.000 0.223 96 R C 2.151 178.428 176.300 -0.038 0.000 1.092 96 R CA 0.751 56.846 56.100 -0.009 0.000 0.989 96 R CB -0.290 30.008 30.300 -0.003 0.000 0.876 96 R HN 0.307 nan 8.270 nan 0.000 0.457 97 L N 0.111 121.275 121.223 -0.098 0.000 2.168 97 L HA 0.081 4.420 4.340 -0.002 0.000 0.203 97 L C 1.801 178.517 176.870 -0.257 0.000 1.078 97 L CA 1.397 56.160 54.840 -0.128 0.000 0.780 97 L CB 0.020 41.994 42.059 -0.140 0.000 0.939 97 L HN 0.007 nan 8.230 nan 0.000 0.451 98 I N -0.728 119.594 120.570 -0.413 0.000 2.277 98 I HA -0.181 3.988 4.170 -0.002 0.000 0.243 98 I C 0.702 176.663 176.117 -0.261 0.000 1.094 98 I CA 0.920 61.898 61.300 -0.536 0.000 1.393 98 I CB -0.259 37.336 38.000 -0.675 0.000 1.078 98 I HN 0.285 nan 8.210 nan 0.000 0.417 99 H N 0.126 119.153 119.070 -0.072 0.000 2.498 99 H HA 0.142 4.697 4.556 -0.002 0.000 0.239 99 H C 1.555 176.859 175.328 -0.040 0.000 1.586 99 H CA -0.154 55.867 56.048 -0.045 0.000 1.164 99 H CB 0.272 30.026 29.762 -0.012 0.000 1.597 99 H HN 0.191 nan 8.280 nan 0.000 0.516 100 S N 0.521 116.247 115.700 0.042 0.000 2.474 100 S HA -0.203 4.266 4.470 -0.002 0.000 0.235 100 S C 1.814 176.427 174.600 0.022 0.000 0.997 100 S CA 0.902 59.123 58.200 0.034 0.000 0.949 100 S CB -0.067 63.156 63.200 0.038 0.000 0.766 100 S HN 0.659 nan 8.310 nan 0.000 0.517 101 N N 1.492 120.177 118.700 -0.026 0.000 2.461 101 N HA 0.113 4.852 4.740 -0.002 0.000 0.188 101 N C 0.151 175.601 175.510 -0.099 0.000 1.134 101 N CA 0.030 53.002 53.050 -0.131 0.000 0.878 101 N CB -0.292 37.929 38.487 -0.443 0.000 0.972 101 N HN 0.452 nan 8.380 nan 0.000 0.456 102 L N -0.258 120.949 121.223 -0.026 0.000 2.301 102 L HA 0.480 4.818 4.340 -0.002 0.000 0.264 102 L C 0.393 177.278 176.870 0.025 0.000 1.016 102 L CA -1.030 53.804 54.840 -0.010 0.000 0.821 102 L CB 1.921 43.978 42.059 -0.004 0.000 1.346 102 L HN -0.153 nan 8.230 nan 0.000 0.429 103 K N 0.256 120.673 120.400 0.029 0.000 2.502 103 K HA 0.648 4.967 4.320 -0.002 0.000 0.252 103 K C -1.501 175.144 176.600 0.074 0.000 1.043 103 K CA -0.786 55.530 56.287 0.047 0.000 0.999 103 K CB 1.317 33.842 32.500 0.041 0.000 1.343 103 K HN 0.735 nan 8.250 nan 0.000 0.513 104 D N -2.590 117.862 120.400 0.087 0.000 2.653 104 D HA 0.009 4.648 4.640 -0.002 0.000 0.258 104 D C -0.201 176.168 176.300 0.115 0.000 1.252 104 D CA -0.785 53.286 54.000 0.118 0.000 0.777 104 D CB 0.831 41.708 40.800 0.128 0.000 1.339 104 D HN 0.440 nan 8.370 nan 0.000 0.422 105 T N -2.679 111.954 114.554 0.130 0.000 3.317 105 T HA 0.144 4.493 4.350 -0.002 0.000 0.250 105 T C 0.379 175.147 174.700 0.114 0.000 1.106 105 T CA 0.326 62.497 62.100 0.119 0.000 0.986 105 T CB -0.757 68.174 68.868 0.106 0.000 1.010 105 T HN 0.614 nan 8.240 nan 0.000 0.560 106 D N 1.312 121.779 120.400 0.112 0.000 2.697 106 D HA -0.222 4.417 4.640 -0.002 0.000 0.235 106 D C 0.456 176.809 176.300 0.088 0.000 1.167 106 D CA 0.448 54.516 54.000 0.112 0.000 0.656 106 D CB -1.454 39.450 40.800 0.173 0.000 1.025 106 D HN 0.407 nan 8.370 nan 0.000 0.419 107 M N -1.444 118.201 119.600 0.076 0.000 2.576 107 M HA -0.217 4.261 4.480 -0.002 0.000 0.200 107 M C 1.392 177.696 176.300 0.007 0.000 0.487 107 M CA 1.824 57.153 55.300 0.048 0.000 0.553 107 M CB -2.046 30.567 32.600 0.021 0.000 2.042 107 M HN 1.117 nan 8.290 nan 0.000 0.758 108 G N -1.321 107.490 108.800 0.018 0.000 2.184 108 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.206 108 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.206 108 G C 0.635 175.536 174.900 0.002 0.000 0.995 108 G CA 0.183 45.281 45.100 -0.004 0.000 0.651 108 G HN 0.486 nan 8.290 nan 0.000 0.511 109 L N -0.055 121.183 121.223 0.026 0.000 2.217 109 L HA 0.312 4.651 4.340 -0.002 0.000 0.211 109 L C 1.240 178.154 176.870 0.073 0.000 1.107 109 L CA 0.852 55.693 54.840 0.001 0.000 0.783 109 L CB -0.158 41.930 42.059 0.048 0.000 0.919 109 L HN 0.219 nan 8.230 nan 0.000 0.442 110 L N -0.763 120.537 121.223 0.127 0.000 2.334 110 L HA 0.334 4.672 4.340 -0.002 0.000 0.276 110 L C 0.077 177.007 176.870 0.100 0.000 1.014 110 L CA -0.745 54.179 54.840 0.140 0.000 0.815 110 L CB 1.786 43.945 42.059 0.166 0.000 1.268 110 L HN -0.229 nan 8.230 nan 0.000 0.428 111 R N 0.598 121.152 120.500 0.090 0.000 2.401 111 R HA 0.105 4.443 4.340 -0.002 0.000 0.299 111 R C 1.111 177.472 176.300 0.101 0.000 1.064 111 R CA -0.151 55.999 56.100 0.083 0.000 1.000 111 R CB 0.894 31.233 30.300 0.066 0.000 0.973 111 R HN 0.827 nan 8.270 nan 0.000 0.438 112 S N 2.421 118.202 115.700 0.135 0.000 2.365 112 S HA -0.186 4.282 4.470 -0.002 0.000 0.225 112 S C 2.323 176.979 174.600 0.094 0.000 1.039 112 S CA 1.678 59.977 58.200 0.165 0.000 1.033 112 S CB -0.517 62.861 63.200 0.297 0.000 0.887 112 S HN 0.941 nan 8.310 nan 0.000 0.447 113 G N 1.844 110.691 108.800 0.077 0.000 2.529 113 G HA2 -0.324 3.634 3.960 -0.002 0.000 0.219 113 G HA3 -0.324 3.634 3.960 -0.002 0.000 0.219 113 G C 1.575 176.500 174.900 0.040 0.000 1.177 113 G CA 1.858 46.986 45.100 0.046 0.000 0.773 113 G HN 0.678 nan 8.290 nan 0.000 0.573 114 K N 0.151 120.581 120.400 0.049 0.000 2.362 114 K HA 0.353 4.672 4.320 -0.002 0.000 0.200 114 K C 1.253 177.879 176.600 0.043 0.000 1.046 114 K CA 0.728 57.042 56.287 0.045 0.000 0.952 114 K CB -0.510 32.022 32.500 0.053 0.000 0.753 114 K HN 0.417 nan 8.250 nan 0.000 0.466 115 L N 1.888 123.141 121.223 0.050 0.000 2.380 115 L HA 0.244 4.583 4.340 -0.002 0.000 0.273 115 L C -1.875 175.011 176.870 0.026 0.000 1.138 115 L CA -2.068 52.798 54.840 0.045 0.000 0.832 115 L CB 1.105 43.201 42.059 0.060 0.000 1.124 115 L HN 0.271 nan 8.230 nan 0.000 0.454 116 P HA 0.353 nan 4.420 nan 0.000 0.280 116 P C 0.023 177.323 177.300 -0.001 0.000 1.272 116 P CA 0.039 63.144 63.100 0.009 0.000 0.819 116 P CB 1.275 32.982 31.700 0.011 0.000 1.122 125 L N 0.756 121.934 121.223 -0.076 0.000 2.431 125 L HA 0.473 4.811 4.340 -0.002 0.000 0.266 125 L C -0.062 176.784 176.870 -0.040 0.000 0.978 125 L CA -0.826 53.999 54.840 -0.025 0.000 0.822 125 L CB 1.962 44.034 42.059 0.023 0.000 1.310 125 L HN 0.865 nan 8.230 nan 0.000 0.409 126 E N 1.844 122.042 120.200 -0.003 0.000 2.493 126 E HA -0.000 4.349 4.350 -0.002 0.000 0.255 126 E C 0.726 177.346 176.600 0.034 0.000 0.999 126 E CA 0.522 56.914 56.400 -0.013 0.000 0.934 126 E CB 1.599 31.360 29.700 0.103 0.000 0.940 126 E HN 0.731 nan 8.360 nan 0.000 0.473 127 A N 5.719 128.480 122.820 -0.100 0.000 1.873 127 A HA -0.225 4.094 4.320 -0.002 0.000 0.218 127 A C 1.951 179.544 177.584 0.014 0.000 1.193 127 A CA 1.811 53.758 52.037 -0.151 0.000 0.629 127 A CB -0.997 17.735 19.000 -0.447 0.000 0.826 127 A HN 0.890 nan 8.150 nan 0.000 0.447 128 W N -0.655 120.701 121.300 0.093 0.000 2.358 128 W HA -0.026 4.632 4.660 -0.002 0.000 0.303 128 W C 2.578 179.123 176.519 0.043 0.000 1.208 128 W CA 0.454 57.837 57.345 0.064 0.000 1.274 128 W CB -0.529 28.961 29.460 0.049 0.000 1.138 128 W HN 0.438 nan 8.180 nan 0.000 0.515 129 G N -0.450 108.542 108.800 0.320 0.000 2.418 129 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.217 129 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.217 129 G C 1.141 176.167 174.900 0.210 0.000 1.158 129 G CA 1.133 46.375 45.100 0.237 0.000 0.771 129 G HN 0.348 nan 8.290 nan 0.000 0.545 130 Y N 1.483 121.853 120.300 0.116 0.000 2.145 130 Y HA -0.070 4.478 4.550 -0.002 0.000 0.286 130 Y C 2.951 178.910 175.900 0.098 0.000 1.145 130 Y CA 1.695 59.848 58.100 0.087 0.000 1.148 130 Y CB -0.071 38.416 38.460 0.044 0.000 0.981 130 Y HN -0.033 nan 8.280 nan 0.000 0.507 131 R N 0.496 121.082 120.500 0.143 0.000 2.083 131 R HA -0.183 4.156 4.340 -0.002 0.000 0.237 131 R C 2.368 178.684 176.300 0.026 0.000 1.137 131 R CA 1.873 58.032 56.100 0.098 0.000 0.951 131 R CB -1.225 29.231 30.300 0.260 0.000 0.851 131 R HN 0.459 nan 8.270 nan 0.000 0.434 132 L N -0.773 120.473 121.223 0.038 0.000 2.083 132 L HA -0.097 4.241 4.340 -0.002 0.000 0.209 132 L C 2.395 179.278 176.870 0.022 0.000 1.083 132 L CA 1.522 56.362 54.840 0.001 0.000 0.752 132 L CB -0.734 41.210 42.059 -0.193 0.000 0.899 132 L HN 0.321 nan 8.230 nan 0.000 0.433 133 G N -1.156 107.643 108.800 -0.002 0.000 2.572 133 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.216 133 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.216 133 G C 1.349 176.185 174.900 -0.107 0.000 1.133 133 G CA 0.090 45.181 45.100 -0.016 0.000 0.791 133 G HN 0.225 nan 8.290 nan 0.000 0.538 134 E N 0.184 120.257 120.200 -0.212 0.000 2.474 134 E HA 0.150 4.498 4.350 -0.002 0.000 0.195 134 E C 2.280 178.832 176.600 -0.079 0.000 1.039 134 E CA -0.211 56.056 56.400 -0.222 0.000 0.881 134 E CB 0.062 29.487 29.700 -0.458 0.000 0.970 134 E HN 0.303 nan 8.360 nan 0.000 0.486 135 M N 0.526 120.114 119.600 -0.020 0.000 2.108 135 M HA -0.150 4.329 4.480 -0.002 0.000 0.261 135 M C 1.870 178.149 176.300 -0.036 0.000 1.066 135 M CA 1.464 56.773 55.300 0.015 0.000 1.107 135 M CB -0.739 31.911 32.600 0.084 0.000 1.356 135 M HN 0.029 nan 8.290 nan 0.000 0.406 136 K N -0.308 120.131 120.400 0.064 0.000 2.097 136 K HA -0.095 4.224 4.320 -0.002 0.000 0.206 136 K C 2.131 178.799 176.600 0.113 0.000 1.049 136 K CA 1.371 57.800 56.287 0.236 0.000 0.933 136 K CB -0.461 32.167 32.500 0.213 0.000 0.717 136 K HN 0.476 nan 8.250 nan 0.000 0.442 137 G N 1.023 109.833 108.800 0.016 0.000 2.394 137 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.215 137 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.215 137 G C 1.677 176.540 174.900 -0.063 0.000 1.165 137 G CA 1.161 46.245 45.100 -0.026 0.000 0.784 137 G HN 0.452 nan 8.290 nan 0.000 0.535 138 E N 0.442 120.614 120.200 -0.047 0.000 2.047 138 E HA -0.190 4.159 4.350 -0.002 0.000 0.191 138 E C 2.113 178.665 176.600 -0.080 0.000 0.987 138 E CA 1.287 57.687 56.400 -0.000 0.000 0.799 138 E CB -0.992 28.789 29.700 0.135 0.000 0.752 138 E HN 0.537 nan 8.360 nan 0.000 0.449 139 Y N 1.473 121.455 120.300 -0.529 0.000 2.151 139 Y HA -0.232 4.316 4.550 -0.002 0.000 0.284 139 Y C 2.396 178.074 175.900 -0.372 0.000 1.166 139 Y CA 2.660 60.291 58.100 -0.781 0.000 1.163 139 Y CB -0.223 37.545 38.460 -1.154 0.000 0.974 139 Y HN 0.251 nan 8.280 nan 0.000 0.511 140 K N -0.167 119.926 120.400 -0.512 0.000 2.209 140 K HA -0.180 4.138 4.320 -0.002 0.000 0.204 140 K C 1.751 178.133 176.600 -0.363 0.000 1.048 140 K CA 1.649 57.625 56.287 -0.518 0.000 0.940 140 K CB -0.251 32.072 32.500 -0.294 0.000 0.729 140 K HN 0.391 nan 8.250 nan 0.000 0.451 141 D N 1.005 121.259 120.400 -0.243 0.000 2.103 141 D HA -0.120 4.519 4.640 -0.002 0.000 0.199 141 D C 1.275 177.483 176.300 -0.152 0.000 0.978 141 D CA 1.311 55.203 54.000 -0.179 0.000 0.829 141 D CB -0.056 40.687 40.800 -0.096 0.000 0.981 141 D HN 0.273 nan 8.370 nan 0.000 0.464 142 D N 0.120 120.462 120.400 -0.097 0.000 2.123 142 D HA -0.146 4.493 4.640 -0.002 0.000 0.196 142 D C 1.741 177.961 176.300 -0.133 0.000 0.992 142 D CA 0.512 54.477 54.000 -0.059 0.000 0.833 142 D CB -0.476 40.369 40.800 0.075 0.000 0.954 142 D HN 0.155 nan 8.370 nan 0.000 0.455 143 F N 1.514 121.229 119.950 -0.393 0.000 2.026 143 F HA -0.207 4.319 4.527 -0.002 0.000 0.296 143 F C 2.269 177.882 175.800 -0.311 0.000 1.133 143 F CA 1.677 59.425 58.000 -0.419 0.000 1.188 143 F CB -0.135 38.461 39.000 -0.672 0.000 0.968 143 F HN -0.232 nan 8.300 nan 0.000 0.476 144 K N 0.066 120.372 120.400 -0.156 0.000 2.113 144 K HA -0.283 4.036 4.320 -0.002 0.000 0.208 144 K C 2.429 178.890 176.600 -0.233 0.000 1.047 144 K CA 1.808 57.912 56.287 -0.304 0.000 0.928 144 K CB -0.276 31.850 32.500 -0.623 0.000 0.716 144 K HN 0.247 nan 8.250 nan 0.000 0.446 145 R N 0.089 120.466 120.500 -0.204 0.000 2.073 145 R HA -0.032 4.307 4.340 -0.002 0.000 0.229 145 R C 2.252 178.456 176.300 -0.160 0.000 1.120 145 R CA 1.448 57.455 56.100 -0.155 0.000 0.967 145 R CB -0.076 30.151 30.300 -0.121 0.000 0.862 145 R HN 0.225 nan 8.270 nan 0.000 0.436 146 M N 0.222 119.698 119.600 -0.206 0.000 2.254 146 M HA -0.106 4.372 4.480 -0.002 0.000 0.265 146 M C 2.068 178.220 176.300 -0.246 0.000 1.066 146 M CA 1.184 56.350 55.300 -0.222 0.000 1.123 146 M CB 0.045 32.487 32.600 -0.262 0.000 1.388 146 M HN 0.242 nan 8.290 nan 0.000 0.425 147 L N -0.175 120.870 121.223 -0.297 0.000 2.056 147 L HA -0.194 4.144 4.340 -0.002 0.000 0.207 147 L C 2.120 178.909 176.870 -0.134 0.000 1.078 147 L CA 1.403 56.099 54.840 -0.241 0.000 0.749 147 L CB -0.394 41.538 42.059 -0.212 0.000 0.901 147 L HN 0.315 nan 8.230 nan 0.000 0.433 148 E N -0.118 120.015 120.200 -0.111 0.000 2.204 148 E HA -0.227 4.121 4.350 -0.002 0.000 0.195 148 E C 1.799 178.355 176.600 -0.073 0.000 0.990 148 E CA 0.944 57.299 56.400 -0.075 0.000 0.821 148 E CB 0.019 29.677 29.700 -0.071 0.000 0.750 148 E HN 0.535 nan 8.360 nan 0.000 0.477 149 E N 0.391 120.537 120.200 -0.090 0.000 2.418 149 E HA -0.105 4.244 4.350 -0.002 0.000 0.197 149 E C 1.224 177.780 176.600 -0.073 0.000 1.026 149 E CA 0.440 56.793 56.400 -0.077 0.000 0.862 149 E CB 0.210 29.860 29.700 -0.084 0.000 0.799 149 E HN 0.161 nan 8.360 nan 0.000 0.518 150 Q N -0.479 119.271 119.800 -0.084 0.000 2.198 150 Q HA 0.132 4.471 4.340 -0.002 0.000 0.209 150 Q C 0.636 176.602 176.000 -0.056 0.000 0.848 150 Q CA 0.268 56.027 55.803 -0.074 0.000 0.974 150 Q CB 1.221 29.901 28.738 -0.096 0.000 1.115 150 Q HN 0.326 nan 8.270 nan 0.000 0.494 151 G N 1.801 110.572 108.800 -0.049 0.000 2.323 151 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.292 151 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.292 151 G C -0.337 174.547 174.900 -0.027 0.000 1.040 151 G CA 0.494 45.574 45.100 -0.034 0.000 0.942 151 G HN 0.332 nan 8.290 nan 0.000 0.506 152 E N -0.176 120.006 120.200 -0.030 0.000 2.288 152 E HA 0.622 4.971 4.350 -0.002 0.000 0.268 152 E C 0.361 176.964 176.600 0.005 0.000 0.885 152 E CA -0.199 56.192 56.400 -0.016 0.000 0.767 152 E CB 1.251 30.934 29.700 -0.028 0.000 1.220 152 E HN 0.502 nan 8.360 nan 0.000 0.427 153 E N 1.639 121.850 120.200 0.018 0.000 2.373 153 E HA 0.102 4.450 4.350 -0.002 0.000 0.267 153 E C -1.272 175.367 176.600 0.064 0.000 1.032 153 E CA -0.173 56.250 56.400 0.039 0.000 0.889 153 E CB 0.517 30.232 29.700 0.024 0.000 0.984 153 E HN 0.458 nan 8.360 nan 0.000 0.425 154 Y N 1.547 121.831 120.300 -0.027 0.000 2.310 154 Y HA 0.494 5.042 4.550 -0.002 0.000 0.326 154 Y C -0.395 175.487 175.900 -0.031 0.000 1.151 154 Y CA -0.672 57.410 58.100 -0.031 0.000 1.195 154 Y CB 1.204 39.639 38.460 -0.041 0.000 1.210 154 Y HN 0.390 nan 8.280 nan 0.000 0.483 155 V N 5.294 124.610 119.914 -0.997 0.000 2.715 155 V HA 0.379 4.497 4.120 -0.002 0.000 0.310 155 V C 0.874 176.344 176.094 -1.040 0.000 1.054 155 V CA -0.166 61.694 62.300 -0.733 0.000 0.928 155 V CB 0.700 32.343 31.823 -0.301 0.000 1.007 155 V HN 1.104 nan 8.190 nan 0.000 0.437 156 D N 2.899 123.021 120.400 -0.462 0.000 1.446 156 D HA -0.287 4.352 4.640 -0.002 0.000 0.629 156 D C 1.318 177.443 176.300 -0.292 0.000 0.638 156 D CA 2.209 56.068 54.000 -0.235 0.000 1.738 156 D CB -1.096 39.676 40.800 -0.047 0.000 0.375 156 D HN 1.481 nan 8.370 nan 0.000 0.215 157 G N -1.124 107.483 108.800 -0.323 0.000 4.951 157 G HA2 0.484 4.443 3.960 -0.002 0.000 0.282 157 G HA3 0.484 4.443 3.960 -0.002 0.000 0.282 157 G C 0.998 175.378 174.900 -0.867 0.000 1.301 157 G CA 0.918 45.826 45.100 -0.319 0.000 0.975 157 G HN 0.919 nan 8.290 nan 0.000 0.589 158 M N -0.249 118.520 119.600 -1.385 0.000 2.549 158 M HA 0.039 4.517 4.480 -0.002 0.000 0.260 158 M C 1.877 177.398 176.300 -1.297 0.000 1.076 158 M CA 1.254 55.324 55.300 -2.050 0.000 1.090 158 M CB -0.217 31.506 32.600 -1.461 0.000 1.418 158 M HN 0.247 nan 8.290 nan 0.000 0.486 159 E N 0.673 120.075 120.200 -1.329 0.000 2.265 159 E HA -0.203 4.146 4.350 -0.002 0.000 0.196 159 E C 0.754 176.710 176.600 -1.074 0.000 0.996 159 E CA 1.297 56.523 56.400 -1.956 0.000 0.832 159 E CB -0.691 27.862 29.700 -1.911 0.000 0.756 159 E HN 0.870 nan 8.360 nan 0.000 0.491 160 W N -0.794 120.254 121.300 -0.421 0.000 3.220 160 W HA 0.230 4.888 4.660 -0.002 0.000 0.328 160 W C 1.231 177.871 176.519 0.201 0.000 1.205 160 W CA -1.081 56.226 57.345 -0.063 0.000 1.773 160 W CB 0.109 29.581 29.460 0.021 0.000 1.086 160 W HN -0.024 nan 8.180 nan 0.000 0.622 161 W N 0.817 122.204 121.300 0.146 0.000 2.418 161 W HA 0.022 4.680 4.660 -0.002 0.000 0.292 161 W C 0.494 177.120 176.519 0.178 0.000 1.213 161 W CA 0.696 58.142 57.345 0.169 0.000 1.283 161 W CB -1.072 28.433 29.460 0.075 0.000 1.119 161 W HN -0.260 nan 8.180 nan 0.000 0.542 162 N N -0.729 118.094 118.700 0.206 0.000 2.265 162 N HA 0.139 4.877 4.740 -0.002 0.000 0.300 162 N C -1.286 174.077 175.510 -0.244 0.000 1.148 162 N CA -0.755 52.342 53.050 0.078 0.000 0.772 162 N CB 2.069 40.648 38.487 0.155 0.000 1.434 162 N HN -0.272 nan 8.380 nan 0.000 0.481 163 F N 2.159 121.931 119.950 -0.297 0.000 2.471 163 F HA 0.263 4.788 4.527 -0.002 0.000 0.353 163 F C 0.078 175.829 175.800 -0.081 0.000 1.113 163 F CA -0.080 57.760 58.000 -0.266 0.000 1.262 163 F CB 0.328 39.289 39.000 -0.065 0.000 1.146 163 F HN 0.639 nan 8.300 nan 0.000 0.578 164 N N 1.850 119.869 118.700 -1.135 0.000 2.825 164 N HA 0.233 4.971 4.740 -0.002 0.000 0.253 164 N C -0.439 174.492 175.510 -0.965 0.000 1.426 164 N CA -0.713 51.861 53.050 -0.793 0.000 0.851 164 N CB 0.760 39.099 38.487 -0.247 0.000 1.470 164 N HN 0.401 nan 8.380 nan 0.000 0.517 165 E N -0.657 119.253 120.200 -0.483 0.000 2.274 165 E HA -0.091 4.258 4.350 -0.002 0.000 0.194 165 E C 1.565 178.087 176.600 -0.130 0.000 0.996 165 E CA 1.454 57.692 56.400 -0.269 0.000 0.840 165 E CB -0.447 29.183 29.700 -0.117 0.000 0.772 165 E HN 0.832 nan 8.360 nan 0.000 0.491 166 E N 1.057 121.222 120.200 -0.059 0.000 2.150 166 E HA -0.058 4.290 4.350 -0.002 0.000 0.193 166 E C 1.750 178.459 176.600 0.182 0.000 0.985 166 E CA 1.192 57.656 56.400 0.107 0.000 0.814 166 E CB -0.473 29.367 29.700 0.234 0.000 0.752 166 E HN 0.241 nan 8.360 nan 0.000 0.466 167 M N -1.204 118.381 119.600 -0.025 0.000 2.200 167 M HA 0.022 4.501 4.480 -0.002 0.000 0.265 167 M C 2.462 178.742 176.300 -0.033 0.000 1.066 167 M CA 2.016 57.163 55.300 -0.255 0.000 1.127 167 M CB 0.006 32.377 32.600 -0.380 0.000 1.379 167 M HN 0.426 nan 8.290 nan 0.000 0.420 168 M N 0.743 120.342 119.600 -0.001 0.000 2.175 168 M HA -0.184 4.295 4.480 -0.002 0.000 0.264 168 M C 1.173 177.526 176.300 0.090 0.000 1.063 168 M CA 1.866 57.252 55.300 0.142 0.000 1.119 168 M CB -0.392 32.337 32.600 0.216 0.000 1.377 168 M HN 0.198 nan 8.290 nan 0.000 0.415 169 D N -1.034 119.383 120.400 0.028 0.000 2.117 169 D HA -0.156 4.483 4.640 -0.002 0.000 0.198 169 D C 1.840 178.115 176.300 -0.042 0.000 0.982 169 D CA 1.463 55.441 54.000 -0.036 0.000 0.828 169 D CB -0.446 40.286 40.800 -0.113 0.000 0.967 169 D HN 0.423 nan 8.370 nan 0.000 0.464 170 Y N 1.363 121.657 120.300 -0.011 0.000 2.224 170 Y HA -0.142 4.407 4.550 -0.002 0.000 0.289 170 Y C 2.231 178.148 175.900 0.028 0.000 1.146 170 Y CA 1.217 59.317 58.100 -0.000 0.000 1.182 170 Y CB -0.532 37.892 38.460 -0.061 0.000 0.983 170 Y HN 0.039 nan 8.280 nan 0.000 0.524 171 N N -0.347 118.467 118.700 0.190 0.000 2.043 171 N HA -0.202 4.536 4.740 -0.002 0.000 0.193 171 N C 1.810 177.419 175.510 0.165 0.000 1.037 171 N CA 1.572 54.724 53.050 0.170 0.000 0.851 171 N CB -0.216 38.365 38.487 0.157 0.000 1.027 171 N HN 0.083 nan 8.380 nan 0.000 0.422 172 V N 0.973 120.969 119.914 0.136 0.000 2.332 172 V HA -0.244 3.875 4.120 -0.002 0.000 0.248 172 V C 2.487 178.636 176.094 0.091 0.000 1.055 172 V CA 1.904 64.282 62.300 0.129 0.000 1.038 172 V CB -0.766 31.090 31.823 0.053 0.000 0.651 172 V HN 0.450 nan 8.190 nan 0.000 0.450 173 Q N 0.359 120.190 119.800 0.051 0.000 2.112 173 Q HA -0.258 4.081 4.340 -0.002 0.000 0.206 173 Q C 1.781 177.824 176.000 0.071 0.000 0.987 173 Q CA 2.406 58.229 55.803 0.032 0.000 0.858 173 Q CB -0.355 28.396 28.738 0.021 0.000 0.905 173 Q HN 0.649 nan 8.270 nan 0.000 0.420 174 D N -0.752 119.720 120.400 0.119 0.000 2.104 174 D HA -0.149 4.490 4.640 -0.002 0.000 0.194 174 D C 1.892 178.246 176.300 0.090 0.000 0.994 174 D CA 1.632 55.700 54.000 0.114 0.000 0.830 174 D CB -0.324 40.570 40.800 0.157 0.000 0.959 174 D HN 0.208 nan 8.370 nan 0.000 0.452 175 V N 0.629 120.626 119.914 0.138 0.000 2.490 175 V HA -0.185 3.934 4.120 -0.002 0.000 0.250 175 V C 2.585 178.721 176.094 0.071 0.000 1.061 175 V CA 0.844 63.221 62.300 0.130 0.000 1.064 175 V CB -0.364 31.588 31.823 0.214 0.000 0.670 175 V HN 0.054 nan 8.190 nan 0.000 0.461 176 V N -0.112 119.857 119.914 0.092 0.000 2.237 176 V HA -0.232 3.887 4.120 -0.002 0.000 0.245 176 V C 2.418 178.393 176.094 -0.199 0.000 1.046 176 V CA 2.168 64.458 62.300 -0.016 0.000 1.007 176 V CB -0.534 31.251 31.823 -0.062 0.000 0.638 176 V HN 0.404 nan 8.190 nan 0.000 0.445 177 V N -0.230 119.566 119.914 -0.196 0.000 2.295 177 V HA -0.272 3.846 4.120 -0.002 0.000 0.246 177 V C 2.579 178.454 176.094 -0.365 0.000 1.049 177 V CA 2.580 64.656 62.300 -0.373 0.000 1.024 177 V CB -1.186 30.579 31.823 -0.097 0.000 0.648 177 V HN 0.612 nan 8.190 nan 0.000 0.447 178 T N -0.284 114.168 114.554 -0.170 0.000 2.720 178 T HA -0.286 4.063 4.350 -0.002 0.000 0.268 178 T C 1.955 176.587 174.700 -0.114 0.000 1.037 178 T CA 2.038 64.081 62.100 -0.096 0.000 1.144 178 T CB -0.259 68.630 68.868 0.034 0.000 0.864 178 T HN 0.498 nan 8.240 nan 0.000 0.444 179 K N 0.887 121.193 120.400 -0.157 0.000 2.097 179 K HA -0.030 4.288 4.320 -0.002 0.000 0.206 179 K C 2.443 178.917 176.600 -0.210 0.000 1.049 179 K CA 1.203 57.386 56.287 -0.173 0.000 0.933 179 K CB -0.264 32.035 32.500 -0.335 0.000 0.717 179 K HN 0.298 nan 8.250 nan 0.000 0.442 180 A N 1.848 124.430 122.820 -0.397 0.000 1.872 180 A HA -0.118 4.201 4.320 -0.002 0.000 0.214 180 A C 2.091 179.424 177.584 -0.419 0.000 1.187 180 A CA 1.007 52.732 52.037 -0.520 0.000 0.614 180 A CB -0.661 17.679 19.000 -1.100 0.000 0.826 180 A HN 0.408 nan 8.150 nan 0.000 0.442 181 L N -0.423 120.517 121.223 -0.473 0.000 2.012 181 L HA -0.166 4.173 4.340 -0.002 0.000 0.210 181 L C 2.453 179.350 176.870 0.045 0.000 1.073 181 L CA 2.486 57.279 54.840 -0.078 0.000 0.748 181 L CB -0.784 41.287 42.059 0.020 0.000 0.891 181 L HN 0.449 nan 8.230 nan 0.000 0.431 182 L N 0.592 121.822 121.223 0.013 0.000 2.013 182 L HA -0.253 4.086 4.340 -0.002 0.000 0.212 182 L C 2.388 179.271 176.870 0.023 0.000 1.073 182 L CA 1.972 56.840 54.840 0.047 0.000 0.753 182 L CB -0.608 41.484 42.059 0.055 0.000 0.890 182 L HN 0.291 nan 8.230 nan 0.000 0.432 183 E N -0.748 119.463 120.200 0.017 0.000 2.152 183 E HA -0.235 4.114 4.350 -0.002 0.000 0.192 183 E C 2.141 178.779 176.600 0.064 0.000 0.983 183 E CA 1.001 57.417 56.400 0.028 0.000 0.818 183 E CB -0.113 29.613 29.700 0.042 0.000 0.758 183 E HN 0.473 nan 8.360 nan 0.000 0.467 184 K N 0.953 121.417 120.400 0.108 0.000 2.057 184 K HA -0.156 4.162 4.320 -0.002 0.000 0.207 184 K C 2.043 178.741 176.600 0.164 0.000 1.049 184 K CA 0.990 57.387 56.287 0.183 0.000 0.931 184 K CB -0.023 32.658 32.500 0.303 0.000 0.714 184 K HN 0.090 nan 8.250 nan 0.000 0.440 185 L N 0.867 122.171 121.223 0.134 0.000 2.093 185 L HA -0.153 4.185 4.340 -0.002 0.000 0.208 185 L C 2.236 179.182 176.870 0.128 0.000 1.085 185 L CA 0.850 55.760 54.840 0.118 0.000 0.755 185 L CB -0.268 41.853 42.059 0.103 0.000 0.904 185 L HN 0.200 nan 8.230 nan 0.000 0.435 186 L N -0.409 120.790 121.223 -0.040 0.000 2.465 186 L HA -0.090 4.249 4.340 -0.002 0.000 0.224 186 L C 2.487 179.380 176.870 0.038 0.000 1.145 186 L CA 0.847 55.541 54.840 -0.243 0.000 0.834 186 L CB -0.436 41.407 42.059 -0.361 0.000 0.944 186 L HN 0.360 nan 8.230 nan 0.000 0.451 187 S N -2.409 113.355 115.700 0.107 0.000 2.603 187 S HA -0.071 4.397 4.470 -0.002 0.000 0.220 187 S C 0.780 175.488 174.600 0.180 0.000 0.967 187 S CA -0.216 58.066 58.200 0.137 0.000 0.920 187 S CB -0.316 62.960 63.200 0.126 0.000 0.773 187 S HN 0.276 nan 8.310 nan 0.000 0.529 188 D N 2.057 122.601 120.400 0.240 0.000 2.374 188 D HA 0.341 4.980 4.640 -0.002 0.000 0.240 188 D C 1.193 177.649 176.300 0.261 0.000 1.229 188 D CA 0.116 54.271 54.000 0.259 0.000 0.895 188 D CB 1.256 42.237 40.800 0.302 0.000 1.046 188 D HN 0.384 nan 8.370 nan 0.000 0.498 189 K N 3.011 123.523 120.400 0.187 0.000 2.280 189 K HA -0.211 4.108 4.320 -0.002 0.000 0.202 189 K C 1.753 178.386 176.600 0.055 0.000 1.047 189 K CA 1.807 58.174 56.287 0.134 0.000 0.942 189 K CB -0.952 31.616 32.500 0.114 0.000 0.739 189 K HN 0.705 nan 8.250 nan 0.000 0.457 190 H N -1.431 117.604 119.070 -0.058 0.000 2.387 190 H HA -0.070 4.485 4.556 -0.002 0.000 0.299 190 H C 1.514 176.541 175.328 -0.502 0.000 1.090 190 H CA 2.418 58.291 56.048 -0.291 0.000 1.332 190 H CB 0.025 29.509 29.762 -0.463 0.000 1.386 190 H HN 0.615 nan 8.280 nan 0.000 0.516 191 Y N -1.948 118.235 120.300 -0.195 0.000 2.522 191 Y HA 0.206 4.755 4.550 -0.002 0.000 0.277 191 Y C -0.180 175.184 175.900 -0.893 0.000 1.104 191 Y CA -0.209 57.562 58.100 -0.550 0.000 1.260 191 Y CB 0.610 38.664 38.460 -0.676 0.000 1.151 191 Y HN -0.004 nan 8.280 nan 0.000 0.539 192 F N 0.921 120.795 119.950 -0.126 0.000 2.496 192 F HA 0.463 4.989 4.527 -0.002 0.000 0.341 192 F C -2.624 173.132 175.800 -0.074 0.000 1.134 192 F CA -3.595 54.169 58.000 -0.393 0.000 0.968 192 F CB 1.075 39.663 39.000 -0.688 0.000 1.205 192 F HN -0.291 nan 8.300 nan 0.000 0.436 193 P HA 0.025 nan 4.420 nan 0.000 0.262 193 P C -2.030 175.431 177.300 0.270 0.000 1.182 193 P CA -0.658 62.573 63.100 0.218 0.000 0.761 193 P CB 0.502 32.328 31.700 0.211 0.000 0.795 194 P HA -0.150 nan 4.420 nan 0.000 0.220 194 P C 1.084 178.452 177.300 0.113 0.000 1.148 194 P CA 1.234 64.421 63.100 0.145 0.000 0.803 194 P CB 0.065 31.827 31.700 0.104 0.000 0.782 195 E N -0.465 119.790 120.200 0.091 0.000 2.171 195 E HA -0.106 4.242 4.350 -0.002 0.000 0.197 195 E C 0.785 177.386 176.600 0.002 0.000 0.997 195 E CA 0.844 57.270 56.400 0.042 0.000 0.810 195 E CB -0.611 29.108 29.700 0.031 0.000 0.738 195 E HN 0.324 nan 8.360 nan 0.000 0.467 196 I N 0.786 121.359 120.570 0.005 0.000 2.437 196 I HA 0.135 4.303 4.170 -0.002 0.000 0.298 196 I C -0.199 175.806 176.117 -0.187 0.000 0.984 196 I CA -0.903 60.276 61.300 -0.202 0.000 1.214 196 I CB 1.437 39.107 38.000 -0.549 0.000 1.365 196 I HN -0.189 nan 8.210 nan 0.000 0.469 197 D N 5.138 125.389 120.400 -0.249 0.000 2.428 197 D HA 0.197 4.836 4.640 -0.002 0.000 0.221 197 D C 0.340 176.483 176.300 -0.261 0.000 1.123 197 D CA -0.206 53.708 54.000 -0.143 0.000 0.869 197 D CB 0.421 41.160 40.800 -0.103 0.000 1.032 197 D HN 0.256 nan 8.370 nan 0.000 0.506 198 F N 1.170 121.038 119.950 -0.137 0.000 2.771 198 F HA -0.009 4.517 4.527 -0.002 0.000 0.299 198 F C 2.306 178.035 175.800 -0.118 0.000 1.177 198 F CA 0.684 58.606 58.000 -0.131 0.000 1.450 198 F CB -0.078 38.745 39.000 -0.295 0.000 1.114 198 F HN 0.366 nan 8.300 nan 0.000 0.587 199 T N -4.545 109.925 114.554 -0.139 0.000 3.163 199 T HA 0.105 4.453 4.350 -0.002 0.000 0.252 199 T C 0.421 174.933 174.700 -0.314 0.000 1.056 199 T CA 0.067 61.916 62.100 -0.419 0.000 0.947 199 T CB -0.124 68.247 68.868 -0.828 0.000 1.016 199 T HN 0.124 nan 8.240 nan 0.000 0.554 200 D N 1.134 121.426 120.400 -0.180 0.000 2.940 200 D HA 0.287 4.926 4.640 -0.002 0.000 0.366 200 D C -0.328 175.897 176.300 -0.126 0.000 1.446 200 D CA -0.400 53.522 54.000 -0.130 0.000 0.780 200 D CB 0.759 41.498 40.800 -0.102 0.000 1.206 200 D HN 0.361 nan 8.370 nan 0.000 0.454 201 V N -2.568 117.278 119.914 -0.114 0.000 3.078 201 V HA 0.989 5.108 4.120 -0.002 0.000 0.311 201 V C 0.803 176.857 176.094 -0.068 0.000 1.138 201 V CA -0.731 61.502 62.300 -0.112 0.000 1.007 201 V CB 1.332 33.052 31.823 -0.172 0.000 1.045 201 V HN 0.033 nan 8.190 nan 0.000 0.432 202 G N 0.452 109.205 108.800 -0.079 0.000 2.572 202 G HA2 0.320 4.278 3.960 -0.002 0.000 0.261 202 G HA3 0.320 4.278 3.960 -0.002 0.000 0.261 202 G C 0.198 175.056 174.900 -0.070 0.000 1.197 202 G CA 0.281 45.338 45.100 -0.071 0.000 0.870 202 G HN 1.390 nan 8.290 nan 0.000 0.548 203 Y N -0.517 119.737 120.300 -0.077 0.000 2.114 203 Y HA -0.195 4.354 4.550 -0.002 0.000 0.282 203 Y C 2.680 178.561 175.900 -0.031 0.000 1.165 203 Y CA 2.207 60.231 58.100 -0.126 0.000 1.148 203 Y CB -1.013 37.428 38.460 -0.032 0.000 0.972 203 Y HN 0.462 nan 8.280 nan 0.000 0.504 204 T N -0.839 113.256 114.554 -0.765 0.000 2.929 204 T HA -0.155 4.194 4.350 -0.002 0.000 0.271 204 T C 1.646 176.308 174.700 -0.064 0.000 1.085 204 T CA 2.063 63.934 62.100 -0.382 0.000 1.125 204 T CB -0.770 67.748 68.868 -0.583 0.000 0.874 204 T HN 0.627 nan 8.240 nan 0.000 0.494 205 T N 0.670 115.171 114.554 -0.089 0.000 2.937 205 T HA 0.126 4.475 4.350 -0.002 0.000 0.260 205 T C 1.244 175.982 174.700 0.064 0.000 1.051 205 T CA 0.759 62.843 62.100 -0.026 0.000 1.141 205 T CB -0.421 68.392 68.868 -0.092 0.000 0.879 205 T HN 0.468 nan 8.240 nan 0.000 0.459 206 F N 0.569 120.449 119.950 -0.117 0.000 2.126 206 F HA -0.109 4.417 4.527 -0.002 0.000 0.299 206 F C 1.689 177.491 175.800 0.003 0.000 1.096 206 F CA 1.283 59.247 58.000 -0.059 0.000 1.255 206 F CB -0.376 38.398 39.000 -0.376 0.000 0.997 206 F HN 0.275 nan 8.300 nan 0.000 0.479 207 W N -0.899 120.669 121.300 0.446 0.000 2.409 207 W HA -0.071 4.587 4.660 -0.002 0.000 0.299 207 W C 2.974 179.602 176.519 0.182 0.000 1.203 207 W CA 0.815 58.343 57.345 0.306 0.000 1.298 207 W CB -1.079 28.534 29.460 0.254 0.000 1.127 207 W HN -0.070 nan 8.180 nan 0.000 0.528 208 S N 0.697 116.611 115.700 0.357 0.000 2.351 208 S HA -0.205 4.264 4.470 -0.002 0.000 0.220 208 S C 1.671 176.377 174.600 0.176 0.000 1.035 208 S CA 1.702 60.034 58.200 0.220 0.000 1.031 208 S CB -0.322 62.960 63.200 0.137 0.000 0.928 208 S HN 0.173 nan 8.310 nan 0.000 0.433 209 E N 1.352 121.658 120.200 0.177 0.000 2.481 209 E HA 0.082 4.431 4.350 -0.002 0.000 0.195 209 E C 0.939 177.688 176.600 0.248 0.000 1.047 209 E CA 0.150 56.666 56.400 0.194 0.000 0.867 209 E CB 0.024 29.812 29.700 0.148 0.000 0.858 209 E HN 0.619 nan 8.360 nan 0.000 0.513 210 S N 0.423 116.223 115.700 0.167 0.000 2.713 210 S HA 0.357 4.826 4.470 -0.002 0.000 0.283 210 S C 0.253 174.817 174.600 -0.061 0.000 1.161 210 S CA -0.961 57.187 58.200 -0.087 0.000 0.999 210 S CB 1.495 64.498 63.200 -0.328 0.000 1.039 210 S HN 0.037 nan 8.310 nan 0.000 0.548 211 L N 1.513 122.621 121.223 -0.192 0.000 2.529 211 L HA 0.091 4.429 4.340 -0.002 0.000 0.287 211 L C 1.869 178.777 176.870 0.062 0.000 1.241 211 L CA 0.653 55.438 54.840 -0.093 0.000 0.857 211 L CB -0.194 41.766 42.059 -0.166 0.000 1.113 211 L HN 1.032 nan 8.230 nan 0.000 0.504 212 E N 2.772 123.047 120.200 0.126 0.000 2.118 212 E HA -0.261 4.088 4.350 -0.002 0.000 0.195 212 E C 1.735 178.482 176.600 0.245 0.000 0.992 212 E CA 1.355 57.888 56.400 0.221 0.000 0.804 212 E CB 0.065 29.946 29.700 0.302 0.000 0.741 212 E HN 0.886 nan 8.360 nan 0.000 0.458 213 A N 0.497 123.455 122.820 0.230 0.000 1.948 213 A HA -0.185 4.133 4.320 -0.002 0.000 0.220 213 A C 2.385 180.118 177.584 0.249 0.000 1.177 213 A CA 1.641 53.827 52.037 0.249 0.000 0.636 213 A CB -0.708 18.453 19.000 0.268 0.000 0.815 213 A HN 0.245 nan 8.150 nan 0.000 0.449 214 V N 0.356 120.425 119.914 0.258 0.000 2.343 214 V HA -0.258 3.860 4.120 -0.002 0.000 0.247 214 V C 2.359 178.775 176.094 0.538 0.000 1.051 214 V CA 2.456 64.996 62.300 0.399 0.000 1.036 214 V CB -0.791 31.251 31.823 0.364 0.000 0.654 214 V HN 0.702 nan 8.190 nan 0.000 0.451 215 D N 0.080 120.715 120.400 0.392 0.000 2.097 215 D HA -0.131 4.507 4.640 -0.002 0.000 0.197 215 D C 1.995 178.336 176.300 0.069 0.000 0.984 215 D CA 1.421 55.519 54.000 0.163 0.000 0.826 215 D CB -0.160 40.731 40.800 0.151 0.000 0.973 215 D HN 0.412 nan 8.370 nan 0.000 0.460 216 I N 0.549 121.204 120.570 0.142 0.000 2.163 216 I HA -0.209 3.959 4.170 -0.002 0.000 0.243 216 I C 2.302 178.482 176.117 0.106 0.000 1.085 216 I CA 1.026 62.395 61.300 0.115 0.000 1.347 216 I CB -0.286 37.831 38.000 0.195 0.000 1.044 216 I HN 0.040 nan 8.210 nan 0.000 0.408 217 E N 0.180 120.464 120.200 0.140 0.000 2.110 217 E HA -0.236 4.113 4.350 -0.002 0.000 0.193 217 E C 2.111 178.718 176.600 0.013 0.000 0.988 217 E CA 1.532 57.976 56.400 0.073 0.000 0.804 217 E CB -0.442 29.283 29.700 0.042 0.000 0.745 217 E HN 0.615 nan 8.360 nan 0.000 0.458 218 H N 0.063 119.174 119.070 0.069 0.000 2.389 218 H HA 0.077 4.632 4.556 -0.002 0.000 0.299 218 H C 2.224 177.616 175.328 0.106 0.000 1.081 218 H CA 1.348 57.440 56.048 0.073 0.000 1.345 218 H CB 0.133 29.926 29.762 0.051 0.000 1.393 218 H HN -0.009 nan 8.280 nan 0.000 0.520 219 R N -0.104 120.433 120.500 0.063 0.000 2.092 219 R HA 0.001 4.339 4.340 -0.002 0.000 0.231 219 R C 2.401 178.735 176.300 0.057 0.000 1.119 219 R CA 0.881 56.976 56.100 -0.009 0.000 0.970 219 R CB -0.053 30.172 30.300 -0.125 0.000 0.864 219 R HN 0.280 nan 8.270 nan 0.000 0.440 220 A N 1.042 123.889 122.820 0.044 0.000 1.898 220 A HA -0.038 4.281 4.320 -0.002 0.000 0.216 220 A C 2.310 179.941 177.584 0.077 0.000 1.181 220 A CA 1.485 53.532 52.037 0.017 0.000 0.620 220 A CB -0.487 18.526 19.000 0.022 0.000 0.819 220 A HN 0.369 nan 8.150 nan 0.000 0.442 221 A N -1.344 121.552 122.820 0.128 0.000 1.898 221 A HA -0.149 4.170 4.320 -0.002 0.000 0.216 221 A C 2.097 179.826 177.584 0.242 0.000 1.181 221 A CA 1.285 53.413 52.037 0.153 0.000 0.620 221 A CB -0.826 18.223 19.000 0.082 0.000 0.819 221 A HN 0.820 nan 8.150 nan 0.000 0.442 222 W N 0.464 121.863 121.300 0.165 0.000 2.355 222 W HA -0.183 4.476 4.660 -0.002 0.000 0.309 222 W C 1.806 178.269 176.519 -0.092 0.000 1.206 222 W CA 1.950 59.304 57.345 0.016 0.000 1.284 222 W CB -0.457 28.969 29.460 -0.057 0.000 1.145 222 W HN 0.365 nan 8.180 nan 0.000 0.502 223 L N 1.108 122.425 121.223 0.157 0.000 2.056 223 L HA -0.144 4.194 4.340 -0.002 0.000 0.207 223 L C 2.373 179.190 176.870 -0.088 0.000 1.078 223 L CA 1.883 56.706 54.840 -0.030 0.000 0.749 223 L CB -1.156 40.835 42.059 -0.114 0.000 0.901 223 L HN -0.074 nan 8.230 nan 0.000 0.433 224 L N -0.616 120.596 121.223 -0.018 0.000 2.201 224 L HA -0.092 4.246 4.340 -0.002 0.000 0.212 224 L C 2.619 179.480 176.870 -0.015 0.000 1.105 224 L CA 0.824 55.679 54.840 0.026 0.000 0.775 224 L CB -0.791 41.324 42.059 0.094 0.000 0.913 224 L HN 0.391 nan 8.230 nan 0.000 0.440 225 A N 0.304 123.077 122.820 -0.077 0.000 1.930 225 A HA -0.243 4.076 4.320 -0.002 0.000 0.217 225 A C 2.296 179.771 177.584 -0.182 0.000 1.175 225 A CA 1.872 53.829 52.037 -0.133 0.000 0.627 225 A CB -0.323 18.532 19.000 -0.240 0.000 0.815 225 A HN 0.226 nan 8.150 nan 0.000 0.443 226 K N 0.167 120.409 120.400 -0.264 0.000 2.026 226 K HA -0.192 4.126 4.320 -0.002 0.000 0.208 226 K C 2.191 178.658 176.600 -0.222 0.000 1.048 226 K CA 2.117 58.204 56.287 -0.332 0.000 0.929 226 K CB -0.480 31.725 32.500 -0.490 0.000 0.713 226 K HN 0.583 nan 8.250 nan 0.000 0.439 227 Q N 0.396 120.128 119.800 -0.113 0.000 2.061 227 Q HA -0.214 4.125 4.340 -0.002 0.000 0.204 227 Q C 1.774 177.804 176.000 0.051 0.000 0.984 227 Q CA 2.047 57.854 55.803 0.007 0.000 0.846 227 Q CB -0.079 28.727 28.738 0.114 0.000 0.902 227 Q HN 0.493 nan 8.270 nan 0.000 0.421 228 E N -0.185 120.055 120.200 0.066 0.000 2.110 228 E HA -0.197 4.151 4.350 -0.002 0.000 0.193 228 E C 2.159 178.912 176.600 0.254 0.000 0.988 228 E CA 0.896 57.382 56.400 0.142 0.000 0.804 228 E CB -0.008 29.757 29.700 0.108 0.000 0.745 228 E HN 0.290 nan 8.360 nan 0.000 0.458 229 R N 0.497 121.070 120.500 0.122 0.000 2.092 229 R HA -0.058 4.281 4.340 -0.002 0.000 0.231 229 R C 2.026 178.498 176.300 0.288 0.000 1.119 229 R CA 0.942 57.124 56.100 0.137 0.000 0.970 229 R CB -0.029 30.245 30.300 -0.044 0.000 0.864 229 R HN 0.130 nan 8.270 nan 0.000 0.440 230 N N -0.133 118.659 118.700 0.154 0.000 2.084 230 N HA -0.062 4.677 4.740 -0.002 0.000 0.190 230 N C 1.024 176.783 175.510 0.416 0.000 1.030 230 N CA 1.472 54.672 53.050 0.251 0.000 0.849 230 N CB -0.338 38.078 38.487 -0.117 0.000 1.012 230 N HN 0.328 nan 8.380 nan 0.000 0.423 231 G N 0.022 108.879 108.800 0.095 0.000 2.796 231 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.571 231 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.571 231 G C -1.274 173.662 174.900 0.059 0.000 1.370 231 G CA -0.520 44.405 45.100 -0.292 0.000 0.856 231 G HN 0.204 nan 8.290 nan 0.000 0.538 232 F N 1.949 121.848 119.950 -0.085 0.000 2.445 232 F HA 0.619 5.144 4.527 -0.002 0.000 0.348 232 F C -2.016 173.799 175.800 0.025 0.000 1.125 232 F CA -2.852 55.185 58.000 0.063 0.000 0.983 232 F CB 1.875 40.973 39.000 0.163 0.000 1.198 232 F HN 0.247 nan 8.300 nan 0.000 0.436 233 P HA -0.051 nan 4.420 nan 0.000 0.260 233 P C -1.187 176.255 177.300 0.236 0.000 1.172 233 P CA 0.773 63.984 63.100 0.184 0.000 0.760 233 P CB 0.055 31.842 31.700 0.145 0.000 0.773 234 F N 3.109 122.962 119.950 -0.162 0.000 2.518 234 F HA 0.296 4.821 4.527 -0.002 0.000 0.323 234 F C -0.021 175.498 175.800 -0.469 0.000 1.129 234 F CA -0.971 56.760 58.000 -0.448 0.000 0.920 234 F CB 1.402 40.088 39.000 -0.523 0.000 1.160 234 F HN 0.097 nan 8.300 nan 0.000 0.440 235 D N 4.536 124.217 120.400 -1.198 0.000 2.551 235 D HA 0.108 4.746 4.640 -0.002 0.000 0.223 235 D C 1.126 176.873 176.300 -0.921 0.000 1.144 235 D CA 0.328 53.689 54.000 -1.065 0.000 1.025 235 D CB 0.624 40.684 40.800 -1.234 0.000 1.085 235 D HN 0.681 nan 8.370 nan 0.000 0.506 236 T N 0.520 114.757 114.554 -0.528 0.000 2.597 236 T HA -0.275 4.074 4.350 -0.002 0.000 0.267 236 T C 1.926 176.522 174.700 -0.173 0.000 1.053 236 T CA 1.843 63.824 62.100 -0.199 0.000 1.165 236 T CB -0.137 68.767 68.868 0.060 0.000 0.863 236 T HN 0.334 nan 8.240 nan 0.000 0.427 237 K N 1.255 121.568 120.400 -0.145 0.000 2.059 237 K HA -0.139 4.180 4.320 -0.002 0.000 0.212 237 K C 2.581 179.114 176.600 -0.111 0.000 1.050 237 K CA 1.642 57.873 56.287 -0.093 0.000 0.927 237 K CB -1.219 31.232 32.500 -0.081 0.000 0.714 237 K HN 0.490 nan 8.250 nan 0.000 0.447 238 A N 0.996 123.696 122.820 -0.201 0.000 1.873 238 A HA -0.087 4.232 4.320 -0.002 0.000 0.218 238 A C 2.263 179.779 177.584 -0.114 0.000 1.193 238 A CA 1.980 53.914 52.037 -0.171 0.000 0.629 238 A CB -0.541 18.301 19.000 -0.264 0.000 0.826 238 A HN 0.515 nan 8.150 nan 0.000 0.447 239 I N 0.203 120.670 120.570 -0.171 0.000 2.394 239 I HA -0.175 3.994 4.170 -0.002 0.000 0.251 239 I C 2.230 178.401 176.117 0.090 0.000 1.136 239 I CA 1.301 62.598 61.300 -0.006 0.000 1.425 239 I CB -1.651 36.389 38.000 0.067 0.000 1.079 239 I HN 0.490 nan 8.210 nan 0.000 0.425 240 E N 0.788 121.030 120.200 0.071 0.000 2.072 240 E HA -0.203 4.146 4.350 -0.002 0.000 0.191 240 E C 1.959 178.621 176.600 0.103 0.000 0.985 240 E CA 1.041 57.522 56.400 0.136 0.000 0.801 240 E CB -0.093 29.662 29.700 0.092 0.000 0.750 240 E HN 0.564 nan 8.360 nan 0.000 0.452 241 E N 0.725 120.950 120.200 0.042 0.000 2.153 241 E HA -0.182 4.166 4.350 -0.002 0.000 0.194 241 E C 2.111 178.731 176.600 0.035 0.000 0.988 241 E CA 0.613 57.026 56.400 0.022 0.000 0.811 241 E CB -0.050 29.653 29.700 0.005 0.000 0.746 241 E HN 0.116 nan 8.360 nan 0.000 0.466 242 L N 0.269 121.526 121.223 0.057 0.000 2.156 242 L HA -0.145 4.194 4.340 -0.002 0.000 0.208 242 L C 2.239 179.153 176.870 0.073 0.000 1.095 242 L CA 1.310 56.184 54.840 0.058 0.000 0.770 242 L CB -0.316 41.786 42.059 0.071 0.000 0.914 242 L HN 0.092 nan 8.230 nan 0.000 0.439 243 Y N -0.669 119.606 120.300 -0.042 0.000 2.200 243 Y HA -0.138 4.410 4.550 -0.002 0.000 0.290 243 Y C 2.296 178.161 175.900 -0.058 0.000 1.137 243 Y CA 1.624 59.689 58.100 -0.059 0.000 1.163 243 Y CB -0.729 37.714 38.460 -0.028 0.000 0.988 243 Y HN 0.012 nan 8.280 nan 0.000 0.518 244 V N 0.836 120.667 119.914 -0.138 0.000 2.343 244 V HA -0.290 3.828 4.120 -0.002 0.000 0.247 244 V C 2.467 178.478 176.094 -0.138 0.000 1.051 244 V CA 2.290 64.456 62.300 -0.223 0.000 1.036 244 V CB -0.603 31.145 31.823 -0.124 0.000 0.654 244 V HN 0.458 nan 8.190 nan 0.000 0.451 245 E N 0.015 120.177 120.200 -0.063 0.000 2.023 245 E HA -0.229 4.120 4.350 -0.002 0.000 0.196 245 E C 2.288 178.851 176.600 -0.061 0.000 1.003 245 E CA 1.720 58.100 56.400 -0.034 0.000 0.809 245 E CB -0.175 29.532 29.700 0.012 0.000 0.755 245 E HN 0.548 nan 8.360 nan 0.000 0.449 246 L N 0.494 121.657 121.223 -0.099 0.000 2.013 246 L HA -0.225 4.114 4.340 -0.002 0.000 0.212 246 L C 2.763 179.572 176.870 -0.101 0.000 1.073 246 L CA 1.301 56.054 54.840 -0.145 0.000 0.753 246 L CB -0.618 41.336 42.059 -0.175 0.000 0.890 246 L HN 0.240 nan 8.230 nan 0.000 0.432 247 A N -0.175 122.576 122.820 -0.115 0.000 1.978 247 A HA -0.159 4.160 4.320 -0.002 0.000 0.220 247 A C 2.503 180.029 177.584 -0.097 0.000 1.170 247 A CA 1.750 53.705 52.037 -0.137 0.000 0.636 247 A CB -0.580 18.226 19.000 -0.323 0.000 0.810 247 A HN 0.444 nan 8.150 nan 0.000 0.448 248 A N -0.207 122.561 122.820 -0.087 0.000 1.855 248 A HA -0.092 4.227 4.320 -0.002 0.000 0.215 248 A C 2.164 179.743 177.584 -0.010 0.000 1.191 248 A CA 1.905 53.915 52.037 -0.044 0.000 0.613 248 A CB -0.444 18.535 19.000 -0.036 0.000 0.829 248 A HN 0.409 nan 8.150 nan 0.000 0.442 249 R N 0.227 120.724 120.500 -0.005 0.000 2.152 249 R HA -0.092 4.246 4.340 -0.002 0.000 0.232 249 R C 2.184 178.502 176.300 0.031 0.000 1.117 249 R CA 1.865 57.981 56.100 0.027 0.000 0.981 249 R CB -0.636 29.692 30.300 0.046 0.000 0.870 249 R HN 0.609 nan 8.270 nan 0.000 0.451 250 R N -0.631 119.858 120.500 -0.018 0.000 2.066 250 R HA -0.026 4.313 4.340 -0.002 0.000 0.232 250 R C 1.987 178.353 176.300 0.109 0.000 1.131 250 R CA 1.830 57.913 56.100 -0.027 0.000 0.955 250 R CB -0.320 29.900 30.300 -0.133 0.000 0.851 250 R HN 0.188 nan 8.270 nan 0.000 0.432 251 S N 0.716 116.454 115.700 0.064 0.000 2.353 251 S HA -0.208 4.261 4.470 -0.002 0.000 0.222 251 S C 1.707 176.365 174.600 0.096 0.000 1.035 251 S CA 1.744 59.992 58.200 0.079 0.000 1.025 251 S CB -0.376 62.844 63.200 0.033 0.000 0.902 251 S HN 0.423 nan 8.310 nan 0.000 0.440 252 E N 1.397 121.642 120.200 0.076 0.000 2.118 252 E HA -0.093 4.256 4.350 -0.002 0.000 0.195 252 E C 1.821 178.484 176.600 0.106 0.000 0.992 252 E CA 1.128 57.573 56.400 0.074 0.000 0.804 252 E CB -0.452 29.282 29.700 0.057 0.000 0.741 252 E HN 0.498 nan 8.360 nan 0.000 0.458 253 L N -0.211 121.105 121.223 0.155 0.000 2.201 253 L HA -0.096 4.243 4.340 -0.002 0.000 0.212 253 L C 2.320 179.321 176.870 0.219 0.000 1.105 253 L CA 0.492 55.459 54.840 0.212 0.000 0.775 253 L CB -0.360 41.890 42.059 0.319 0.000 0.913 253 L HN 0.256 nan 8.230 nan 0.000 0.440 254 L N -0.041 121.322 121.223 0.232 0.000 2.072 254 L HA -0.142 4.197 4.340 -0.002 0.000 0.205 254 L C 2.678 179.626 176.870 0.129 0.000 1.079 254 L CA 1.553 56.495 54.840 0.171 0.000 0.752 254 L CB -0.572 41.604 42.059 0.195 0.000 0.906 254 L HN 0.089 nan 8.230 nan 0.000 0.436 255 R N -0.213 120.350 120.500 0.105 0.000 2.082 255 R HA -0.198 4.140 4.340 -0.002 0.000 0.234 255 R C 2.327 178.662 176.300 0.057 0.000 1.136 255 R CA 2.045 58.188 56.100 0.072 0.000 0.935 255 R CB -0.186 30.147 30.300 0.055 0.000 0.842 255 R HN 0.327 nan 8.270 nan 0.000 0.430 256 K N 0.166 120.598 120.400 0.053 0.000 2.103 256 K HA -0.153 4.166 4.320 -0.002 0.000 0.207 256 K C 2.145 178.746 176.600 0.002 0.000 1.048 256 K CA 1.455 57.754 56.287 0.020 0.000 0.930 256 K CB -0.113 32.402 32.500 0.025 0.000 0.716 256 K HN 0.246 nan 8.250 nan 0.000 0.444 257 L N 0.470 121.736 121.223 0.072 0.000 2.095 257 L HA -0.103 4.235 4.340 -0.002 0.000 0.204 257 L C 2.326 179.274 176.870 0.130 0.000 1.080 257 L CA 1.266 56.180 54.840 0.122 0.000 0.759 257 L CB -0.588 41.654 42.059 0.305 0.000 0.914 257 L HN 0.296 nan 8.230 nan 0.000 0.439 258 T N -3.872 110.783 114.554 0.168 0.000 3.227 258 T HA -0.047 4.302 4.350 -0.002 0.000 0.257 258 T C 1.238 175.977 174.700 0.066 0.000 1.162 258 T CA 0.660 62.859 62.100 0.166 0.000 1.051 258 T CB -0.047 68.907 68.868 0.144 0.000 0.953 258 T HN 0.396 nan 8.240 nan 0.000 0.535 259 E N 0.685 120.883 120.200 -0.004 0.000 2.207 259 E HA 0.029 4.378 4.350 -0.002 0.000 0.197 259 E C 2.139 178.658 176.600 -0.136 0.000 0.914 259 E CA 0.595 56.968 56.400 -0.045 0.000 0.914 259 E CB 0.050 29.724 29.700 -0.042 0.000 0.893 259 E HN 0.379 nan 8.360 nan 0.000 0.479 260 T N 1.049 115.441 114.554 -0.270 0.000 2.803 260 T HA -0.095 4.254 4.350 -0.002 0.000 0.269 260 T C 0.149 174.447 174.700 -0.671 0.000 1.052 260 T CA 1.107 62.889 62.100 -0.530 0.000 1.136 260 T CB -0.124 68.260 68.868 -0.806 0.000 0.864 260 T HN -0.066 nan 8.240 nan 0.000 0.467 261 F N 1.322 121.112 119.950 -0.268 0.000 2.366 261 F HA 0.585 5.110 4.527 -0.002 0.000 0.366 261 F C 0.889 176.605 175.800 -0.140 0.000 1.096 261 F CA -1.844 55.944 58.000 -0.354 0.000 1.060 261 F CB 0.611 39.041 39.000 -0.951 0.000 1.282 261 F HN -0.031 nan 8.300 nan 0.000 0.450 262 G N 1.168 110.046 108.800 0.130 0.000 2.634 262 G HA2 0.399 4.358 3.960 -0.002 0.000 0.255 262 G HA3 0.399 4.358 3.960 -0.002 0.000 0.255 262 G C -0.023 175.046 174.900 0.282 0.000 1.205 262 G CA -0.537 44.659 45.100 0.160 0.000 0.884 262 G HN 0.651 nan 8.290 nan 0.000 0.549 263 S N -0.810 114.988 115.700 0.164 0.000 2.632 263 S HA 0.689 5.158 4.470 -0.002 0.000 0.267 263 S C -0.423 174.256 174.600 0.130 0.000 1.276 263 S CA -0.322 57.849 58.200 -0.048 0.000 0.998 263 S CB 0.886 63.818 63.200 -0.447 0.000 0.953 263 S HN 0.994 nan 8.310 nan 0.000 0.547 264 W N -1.071 120.079 121.300 -0.250 0.000 3.165 264 W HA 0.776 5.434 4.660 -0.002 0.000 0.351 264 W C -2.097 174.284 176.519 -0.230 0.000 1.164 264 W CA -1.552 55.730 57.345 -0.105 0.000 1.074 264 W CB 0.411 29.847 29.460 -0.041 0.000 1.499 264 W HN 0.541 nan 8.180 nan 0.000 0.600 265 Y N 1.385 121.828 120.300 0.238 0.000 2.446 265 Y HA 0.506 5.055 4.550 -0.002 0.000 0.338 265 Y C 0.147 176.164 175.900 0.195 0.000 1.055 265 Y CA -0.842 57.336 58.100 0.130 0.000 1.101 265 Y CB 2.255 40.805 38.460 0.149 0.000 1.221 265 Y HN 0.309 nan 8.280 nan 0.000 0.460 266 Q N 4.197 124.138 119.800 0.235 0.000 2.359 266 Q HA 0.370 4.708 4.340 -0.002 0.000 0.274 266 Q C -2.757 173.342 176.000 0.165 0.000 1.074 266 Q CA -2.417 53.510 55.803 0.207 0.000 0.810 266 Q CB 2.941 31.772 28.738 0.156 0.000 1.342 266 Q HN 0.323 nan 8.270 nan 0.000 0.427 267 P HA 0.129 nan 4.420 nan 0.000 0.269 267 P C -0.924 176.427 177.300 0.084 0.000 1.215 267 P CA -0.115 63.045 63.100 0.100 0.000 0.780 267 P CB 0.812 32.556 31.700 0.072 0.000 0.898 268 K N 0.709 121.152 120.400 0.071 0.000 2.609 268 K HA 0.465 4.784 4.320 -0.002 0.000 0.261 268 K C 0.025 176.652 176.600 0.046 0.000 0.945 268 K CA 0.376 56.697 56.287 0.057 0.000 0.898 268 K CB 0.195 32.731 32.500 0.062 0.000 1.349 268 K HN 0.634 nan 8.250 nan 0.000 0.420 269 G N 1.485 110.303 108.800 0.028 0.000 2.176 269 G HA2 -0.124 3.835 3.960 -0.002 0.000 0.232 269 G HA3 -0.124 3.835 3.960 -0.002 0.000 0.232 269 G C 0.448 175.339 174.900 -0.016 0.000 0.986 269 G CA -0.054 45.056 45.100 0.016 0.000 0.643 269 G HN 1.044 nan 8.290 nan 0.000 0.522 270 G N 0.162 108.950 108.800 -0.020 0.000 2.378 270 G HA2 0.542 4.500 3.960 -0.002 0.000 0.255 270 G HA3 0.542 4.500 3.960 -0.002 0.000 0.255 270 G C 1.020 175.903 174.900 -0.029 0.000 1.270 270 G CA 1.189 46.261 45.100 -0.048 0.000 0.876 270 G HN 1.142 nan 8.290 nan 0.000 0.521 271 T N -0.081 114.446 114.554 -0.045 0.000 3.071 271 T HA 0.192 4.541 4.350 -0.002 0.000 0.239 271 T C 0.757 175.448 174.700 -0.014 0.000 0.997 271 T CA 0.095 62.180 62.100 -0.025 0.000 1.134 271 T CB 0.033 68.882 68.868 -0.032 0.000 0.928 271 T HN 0.513 nan 8.240 nan 0.000 0.453 272 E N 1.204 121.390 120.200 -0.023 0.000 2.371 272 E HA 0.470 4.819 4.350 -0.002 0.000 0.257 272 E C -0.601 176.015 176.600 0.027 0.000 1.134 272 E CA -0.661 55.737 56.400 -0.003 0.000 0.919 272 E CB 0.657 30.351 29.700 -0.010 0.000 1.025 272 E HN 0.324 nan 8.360 nan 0.000 0.438 273 M N 2.180 121.801 119.600 0.036 0.000 2.233 273 M HA 0.267 4.745 4.480 -0.002 0.000 0.355 273 M C -1.261 175.097 176.300 0.095 0.000 1.191 273 M CA -0.392 54.947 55.300 0.065 0.000 1.101 273 M CB 0.528 33.148 32.600 0.035 0.000 1.592 273 M HN 0.437 nan 8.290 nan 0.000 0.461 274 F N 5.764 125.709 119.950 -0.009 0.000 2.445 274 F HA 0.481 5.007 4.527 -0.002 0.000 0.359 274 F C -1.055 174.711 175.800 -0.057 0.000 1.101 274 F CA -0.688 57.285 58.000 -0.045 0.000 1.177 274 F CB 0.144 39.110 39.000 -0.057 0.000 1.110 274 F HN 0.637 nan 8.300 nan 0.000 0.522 275 C N 6.091 124.927 119.300 -0.775 0.000 2.456 275 C HA 0.270 4.729 4.460 -0.002 0.000 0.325 275 C C 0.033 174.527 174.990 -0.827 0.000 1.217 275 C CA -0.954 57.702 59.018 -0.604 0.000 1.687 275 C CB 0.703 28.276 27.740 -0.277 0.000 2.270 275 C HN 0.720 nan 8.230 nan 0.000 0.499 276 H N 3.298 122.009 119.070 -0.600 0.000 3.157 276 H HA 0.027 4.582 4.556 -0.002 0.000 0.299 276 H C -1.723 173.423 175.328 -0.305 0.000 0.961 276 H CA -0.677 55.114 56.048 -0.429 0.000 1.428 276 H CB 0.764 30.394 29.762 -0.221 0.000 1.459 276 H HN 0.428 nan 8.280 nan 0.000 0.566 277 P HA -0.092 nan 4.420 nan 0.000 0.228 277 P C 1.339 178.716 177.300 0.129 0.000 1.151 277 P CA 1.884 65.007 63.100 0.038 0.000 0.770 277 P CB 0.295 32.008 31.700 0.021 0.000 0.786 278 R N -0.776 119.912 120.500 0.314 0.000 2.164 278 R HA 0.118 4.456 4.340 -0.002 0.000 0.198 278 R C 2.035 178.245 176.300 -0.150 0.000 1.028 278 R CA 1.726 57.833 56.100 0.012 0.000 1.083 278 R CB -1.760 28.511 30.300 -0.048 0.000 1.026 278 R HN 0.366 nan 8.270 nan 0.000 0.514 279 T N -4.860 109.515 114.554 -0.298 0.000 3.015 279 T HA 0.360 4.709 4.350 -0.002 0.000 0.250 279 T C 1.826 176.453 174.700 -0.121 0.000 1.057 279 T CA 1.239 63.205 62.100 -0.224 0.000 1.066 279 T CB 0.759 69.448 68.868 -0.298 0.000 0.959 279 T HN 1.493 nan 8.240 nan 0.000 0.488 280 G N 1.950 110.697 108.800 -0.089 0.000 2.199 280 G HA2 -0.306 3.652 3.960 -0.002 0.000 0.254 280 G HA3 -0.306 3.652 3.960 -0.002 0.000 0.254 280 G C 0.099 174.950 174.900 -0.081 0.000 0.982 280 G CA 0.241 45.292 45.100 -0.082 0.000 0.632 280 G HN 0.852 nan 8.290 nan 0.000 0.529 281 K N 1.902 122.262 120.400 -0.067 0.000 2.366 281 K HA 0.217 4.536 4.320 -0.002 0.000 0.272 281 K C -1.980 174.588 176.600 -0.053 0.000 1.151 281 K CA -0.776 55.485 56.287 -0.044 0.000 1.173 281 K CB 0.182 32.668 32.500 -0.023 0.000 0.853 281 K HN 0.145 nan 8.250 nan 0.000 0.473 282 P HA -0.089 nan 4.420 nan 0.000 0.265 282 P C -0.941 176.359 177.300 -0.000 0.000 1.187 282 P CA 0.414 63.489 63.100 -0.043 0.000 0.766 282 P CB 0.432 32.123 31.700 -0.014 0.000 0.820 283 L N 5.560 126.797 121.223 0.023 0.000 2.457 283 L HA 0.289 4.628 4.340 -0.002 0.000 0.252 283 L C -1.805 175.200 176.870 0.225 0.000 1.132 283 L CA -1.512 53.420 54.840 0.152 0.000 0.938 283 L CB 1.746 43.920 42.059 0.190 0.000 1.246 283 L HN 0.246 nan 8.230 nan 0.000 0.476 284 P HA -0.128 nan 4.420 nan 0.000 0.223 284 P C 1.676 179.060 177.300 0.139 0.000 1.151 284 P CA 0.948 64.126 63.100 0.129 0.000 0.787 284 P CB 0.277 32.026 31.700 0.080 0.000 0.788 285 K N -0.989 119.503 120.400 0.155 0.000 2.148 285 K HA -0.121 4.198 4.320 -0.002 0.000 0.204 285 K C 0.775 177.414 176.600 0.065 0.000 1.050 285 K CA 1.063 57.402 56.287 0.087 0.000 0.942 285 K CB -1.768 30.769 32.500 0.061 0.000 0.724 285 K HN 0.190 nan 8.250 nan 0.000 0.446 286 Y N 0.833 121.191 120.300 0.096 0.000 2.346 286 Y HA 0.255 4.804 4.550 -0.002 0.000 0.330 286 Y C -1.895 174.038 175.900 0.055 0.000 1.178 286 Y CA -2.509 55.640 58.100 0.082 0.000 1.331 286 Y CB 0.861 39.434 38.460 0.188 0.000 1.253 286 Y HN 0.076 nan 8.280 nan 0.000 0.529 287 P HA -0.015 nan 4.420 nan 0.000 0.266 287 P C -0.592 176.761 177.300 0.089 0.000 1.193 287 P CA -0.011 63.137 63.100 0.080 0.000 0.770 287 P CB 0.520 32.244 31.700 0.040 0.000 0.836 288 R N 2.540 123.078 120.500 0.063 0.000 2.590 288 R HA 0.229 4.568 4.340 -0.002 0.000 0.274 288 R C 0.754 177.049 176.300 -0.009 0.000 1.061 288 R CA 0.022 56.151 56.100 0.048 0.000 1.081 288 R CB -0.272 30.045 30.300 0.028 0.000 0.984 288 R HN 0.563 nan 8.270 nan 0.000 0.448 289 I N -1.468 119.091 120.570 -0.019 0.000 3.709 289 I HA 0.582 4.750 4.170 -0.002 0.000 0.274 289 I C -0.094 175.902 176.117 -0.202 0.000 1.240 289 I CA -1.075 60.150 61.300 -0.125 0.000 1.076 289 I CB 1.371 39.338 38.000 -0.055 0.000 1.389 289 I HN 0.070 nan 8.210 nan 0.000 0.529 290 K N 0.937 121.119 120.400 -0.363 0.000 2.565 290 K HA 0.382 4.701 4.320 -0.002 0.000 0.251 290 K C -1.731 174.697 176.600 -0.286 0.000 0.956 290 K CA -0.338 55.731 56.287 -0.363 0.000 0.809 290 K CB 2.234 34.408 32.500 -0.544 0.000 1.267 290 K HN 0.827 nan 8.250 nan 0.000 0.438 291 T N 6.325 120.815 114.554 -0.106 0.000 2.801 291 T HA 0.353 4.702 4.350 -0.002 0.000 0.306 291 T C -2.450 172.257 174.700 0.012 0.000 1.020 291 T CA -1.288 60.808 62.100 -0.007 0.000 0.948 291 T CB 1.112 69.986 68.868 0.011 0.000 0.962 291 T HN 0.312 nan 8.240 nan 0.000 0.465 292 P HA 0.202 nan 4.420 nan 0.000 0.264 292 P C 0.467 177.788 177.300 0.035 0.000 1.193 292 P CA -0.111 63.000 63.100 0.019 0.000 0.763 292 P CB 0.649 32.373 31.700 0.040 0.000 0.810 293 K N 2.028 122.439 120.400 0.018 0.000 2.426 293 K HA 0.264 4.583 4.320 -0.002 0.000 0.193 293 K C 0.855 177.477 176.600 0.037 0.000 1.028 293 K CA 0.695 56.998 56.287 0.025 0.000 1.047 293 K CB -0.092 32.416 32.500 0.014 0.000 0.821 293 K HN 0.441 nan 8.250 nan 0.000 0.513 294 V N -3.233 116.710 119.914 0.049 0.000 3.105 294 V HA 0.894 5.013 4.120 -0.002 0.000 0.311 294 V C 1.170 177.314 176.094 0.084 0.000 1.287 294 V CA -0.217 62.119 62.300 0.059 0.000 1.066 294 V CB 1.241 33.096 31.823 0.054 0.000 1.105 294 V HN 0.618 nan 8.190 nan 0.000 0.462 295 G N -0.610 108.237 108.800 0.080 0.000 1.829 295 G HA2 0.481 4.439 3.960 -0.002 0.000 0.214 295 G HA3 0.481 4.439 3.960 -0.002 0.000 0.214 295 G C 0.671 175.610 174.900 0.064 0.000 1.627 295 G CA 0.385 45.535 45.100 0.084 0.000 1.390 295 G HN 2.659 nan 8.290 nan 0.000 0.458 296 G N -1.386 107.451 108.800 0.063 0.000 2.757 296 G HA2 0.335 4.293 3.960 -0.002 0.000 0.686 296 G HA3 0.335 4.293 3.960 -0.002 0.000 0.686 296 G C 1.186 176.095 174.900 0.015 0.000 1.452 296 G CA 1.238 46.376 45.100 0.063 0.000 0.922 296 G HN 2.316 nan 8.290 nan 0.000 0.588 297 I N 0.495 121.061 120.570 -0.008 0.000 2.614 297 I HA 0.497 4.666 4.170 -0.002 0.000 0.258 297 I C 1.287 177.148 176.117 -0.428 0.000 1.189 297 I CA 1.902 63.071 61.300 -0.218 0.000 1.462 297 I CB -1.132 36.707 38.000 -0.267 0.000 1.092 297 I HN 0.612 nan 8.210 nan 0.000 0.442 314 E N 3.225 123.515 120.200 0.150 0.000 2.289 314 E HA 0.603 4.952 4.350 -0.002 0.000 0.278 314 E C -0.171 176.551 176.600 0.202 0.000 1.032 314 E CA -0.212 56.274 56.400 0.144 0.000 0.854 314 E CB 0.747 30.494 29.700 0.080 0.000 1.046 314 E HN 0.721 nan 8.360 nan 0.000 0.409 315 L N 1.817 123.112 121.223 0.120 0.000 2.483 315 L HA 0.119 4.458 4.340 -0.002 0.000 0.276 315 L C 0.505 177.356 176.870 -0.032 0.000 1.213 315 L CA -0.210 54.611 54.840 -0.032 0.000 0.843 315 L CB 0.831 42.827 42.059 -0.105 0.000 1.107 315 L HN 0.670 nan 8.230 nan 0.000 0.487 316 D N 1.055 121.400 120.400 -0.092 0.000 2.411 316 D HA 0.085 4.724 4.640 -0.002 0.000 0.225 316 D C 0.942 177.195 176.300 -0.078 0.000 1.156 316 D CA -0.182 53.788 54.000 -0.050 0.000 0.874 316 D CB 1.281 42.061 40.800 -0.033 0.000 1.034 316 D HN 0.469 nan 8.370 nan 0.000 0.502 317 T N 2.390 116.910 114.554 -0.057 0.000 2.803 317 T HA -0.108 4.240 4.350 -0.002 0.000 0.269 317 T C 1.456 176.105 174.700 -0.084 0.000 1.052 317 T CA 1.457 63.516 62.100 -0.068 0.000 1.136 317 T CB -0.307 68.533 68.868 -0.047 0.000 0.864 317 T HN 0.600 nan 8.240 nan 0.000 0.467 318 R N 2.348 122.810 120.500 -0.064 0.000 2.740 318 R HA 0.004 4.343 4.340 -0.002 0.000 0.263 318 R C 1.035 177.243 176.300 -0.154 0.000 0.997 318 R CA 0.955 57.010 56.100 -0.075 0.000 1.108 318 R CB -0.633 29.660 30.300 -0.013 0.000 0.969 318 R HN 0.798 nan 8.270 nan 0.000 0.431 319 E N -0.476 119.552 120.200 -0.286 0.000 2.474 319 E HA 0.094 4.443 4.350 -0.002 0.000 0.195 319 E C -0.775 175.464 176.600 -0.602 0.000 1.039 319 E CA -0.117 56.003 56.400 -0.466 0.000 0.881 319 E CB 0.149 29.492 29.700 -0.595 0.000 0.970 319 E HN 0.678 nan 8.360 nan 0.000 0.486 320 Y N 0.447 120.689 120.300 -0.097 0.000 2.446 320 Y HA 0.442 4.990 4.550 -0.002 0.000 0.338 320 Y C -0.182 175.695 175.900 -0.037 0.000 1.055 320 Y CA -1.380 56.669 58.100 -0.086 0.000 1.101 320 Y CB 1.997 40.418 38.460 -0.065 0.000 1.221 320 Y HN -0.242 nan 8.280 nan 0.000 0.460 321 V N 2.969 122.980 119.914 0.162 0.000 2.376 321 V HA 0.569 4.688 4.120 -0.002 0.000 0.287 321 V C -0.001 176.164 176.094 0.117 0.000 1.015 321 V CA -1.415 60.946 62.300 0.101 0.000 0.834 321 V CB 0.944 32.801 31.823 0.058 0.000 1.001 321 V HN 0.979 nan 8.190 nan 0.000 0.428 322 A N 3.912 126.792 122.820 0.099 0.000 2.624 322 A HA 0.398 4.717 4.320 -0.002 0.000 0.231 322 A C 1.718 179.349 177.584 0.078 0.000 1.034 322 A CA 1.175 53.262 52.037 0.083 0.000 0.754 322 A CB -0.438 18.601 19.000 0.065 0.000 0.953 322 A HN 2.311 nan 8.150 nan 0.000 0.509 323 G N 0.876 109.720 108.800 0.073 0.000 2.284 323 G HA2 0.079 4.038 3.960 -0.002 0.000 0.261 323 G HA3 0.079 4.038 3.960 -0.002 0.000 0.261 323 G C 0.643 175.595 174.900 0.086 0.000 0.997 323 G CA 0.783 45.923 45.100 0.067 0.000 0.621 323 G HN 2.403 nan 8.290 nan 0.000 0.534 324 A N 2.341 125.228 122.820 0.111 0.000 2.415 324 A HA 0.686 5.005 4.320 -0.002 0.000 0.309 324 A C -1.140 176.563 177.584 0.198 0.000 1.356 324 A CA -0.728 51.389 52.037 0.132 0.000 0.998 324 A CB 0.576 19.649 19.000 0.121 0.000 1.145 324 A HN 0.335 nan 8.150 nan 0.000 0.545 325 P HA 0.408 nan 4.420 nan 0.000 0.274 325 P C -1.236 176.217 177.300 0.256 0.000 1.237 325 P CA 0.234 63.439 63.100 0.175 0.000 0.793 325 P CB 0.610 32.387 31.700 0.129 0.000 0.977 326 Y N -3.236 117.089 120.300 0.042 0.000 2.558 326 Y HA 0.481 5.029 4.550 -0.002 0.000 0.333 326 Y C -1.086 174.822 175.900 0.013 0.000 1.125 326 Y CA -1.088 57.031 58.100 0.032 0.000 1.039 326 Y CB 0.171 38.685 38.460 0.091 0.000 1.331 326 Y HN 0.122 nan 8.280 nan 0.000 0.456 327 T N 5.932 120.496 114.554 0.017 0.000 2.747 327 T HA 0.329 4.677 4.350 -0.002 0.000 0.301 327 T C -2.617 172.126 174.700 0.071 0.000 0.952 327 T CA -1.165 60.903 62.100 -0.054 0.000 0.983 327 T CB 0.399 69.253 68.868 -0.024 0.000 0.930 327 T HN 0.440 nan 8.240 nan 0.000 0.494 328 P HA 0.231 nan 4.420 nan 0.000 0.267 328 P C -0.509 176.876 177.300 0.142 0.000 1.205 328 P CA -0.232 62.968 63.100 0.166 0.000 0.765 328 P CB 0.764 32.504 31.700 0.067 0.000 0.828 329 V N 0.397 120.424 119.914 0.188 0.000 3.102 329 V HA 0.750 4.869 4.120 -0.002 0.000 0.312 329 V C -0.431 175.799 176.094 0.228 0.000 1.135 329 V CA -1.167 61.254 62.300 0.202 0.000 1.022 329 V CB 2.144 34.116 31.823 0.248 0.000 1.056 329 V HN 0.703 nan 8.190 nan 0.000 0.436 330 E N 0.810 121.131 120.200 0.202 0.000 2.299 330 E HA 0.462 4.810 4.350 -0.002 0.000 0.265 330 E C -1.284 175.325 176.600 0.014 0.000 0.911 330 E CA -0.841 55.632 56.400 0.121 0.000 0.789 330 E CB 2.289 32.013 29.700 0.039 0.000 1.246 330 E HN 0.934 nan 8.360 nan 0.000 0.427 331 H N 2.252 121.170 119.070 -0.252 0.000 2.641 331 H HA 0.279 4.834 4.556 -0.002 0.000 0.295 331 H C -1.199 173.818 175.328 -0.518 0.000 1.070 331 H CA -0.702 54.978 56.048 -0.613 0.000 1.257 331 H CB 1.431 30.868 29.762 -0.542 0.000 1.393 331 H HN 0.343 nan 8.280 nan 0.000 0.464 332 V N 7.088 126.414 119.914 -0.981 0.000 2.407 332 V HA 0.241 4.360 4.120 -0.002 0.000 0.278 332 V C -0.663 174.647 176.094 -1.305 0.000 1.037 332 V CA -0.429 61.259 62.300 -1.020 0.000 0.900 332 V CB 1.114 32.303 31.823 -1.057 0.000 0.983 332 V HN 0.477 nan 8.190 nan 0.000 0.459 333 V N 7.964 127.413 119.914 -0.775 0.000 2.439 333 V HA 0.300 4.419 4.120 -0.002 0.000 0.282 333 V C 0.189 176.122 176.094 -0.269 0.000 1.039 333 V CA -0.638 61.364 62.300 -0.497 0.000 0.913 333 V CB 1.256 32.937 31.823 -0.236 0.000 0.983 333 V HN 0.855 nan 8.190 nan 0.000 0.460 334 F N 5.166 124.995 119.950 -0.201 0.000 2.580 334 F HA 0.024 4.550 4.527 -0.002 0.000 0.398 334 F C 0.531 176.404 175.800 0.122 0.000 1.023 334 F CA 0.437 58.505 58.000 0.113 0.000 1.188 334 F CB 0.061 39.200 39.000 0.232 0.000 1.005 334 F HN 0.672 nan 8.300 nan 0.000 0.546 335 N N 7.906 126.478 118.700 -0.213 0.000 2.564 335 N HA 0.414 5.153 4.740 -0.002 0.000 0.248 335 N C -2.307 172.755 175.510 -0.747 0.000 0.986 335 N CA -2.333 50.501 53.050 -0.361 0.000 0.921 335 N CB 1.668 40.044 38.487 -0.185 0.000 1.136 335 N HN 0.159 nan 8.380 nan 0.000 0.509 336 P HA -0.095 nan 4.420 nan 0.000 0.222 336 P C 0.596 177.637 177.300 -0.431 0.000 1.142 336 P CA 1.027 63.617 63.100 -0.850 0.000 0.788 336 P CB 0.377 31.336 31.700 -1.236 0.000 0.767 337 S N -1.436 114.109 115.700 -0.259 0.000 2.414 337 S HA -0.038 4.431 4.470 -0.002 0.000 0.227 337 S C 1.144 175.645 174.600 -0.165 0.000 1.022 337 S CA 0.402 58.566 58.200 -0.060 0.000 0.958 337 S CB -0.571 62.642 63.200 0.020 0.000 0.797 337 S HN 0.157 nan 8.310 nan 0.000 0.493 338 S N 2.288 117.802 115.700 -0.310 0.000 2.443 338 S HA 0.132 4.601 4.470 -0.002 0.000 0.284 338 S C 1.259 175.711 174.600 -0.247 0.000 1.206 338 S CA -0.667 57.322 58.200 -0.352 0.000 1.074 338 S CB 0.161 62.918 63.200 -0.738 0.000 0.963 338 S HN 0.221 nan 8.310 nan 0.000 0.501 339 R N 3.511 123.926 120.500 -0.141 0.000 2.152 339 R HA -0.101 4.237 4.340 -0.002 0.000 0.232 339 R C 1.477 177.753 176.300 -0.040 0.000 1.117 339 R CA 1.468 57.520 56.100 -0.080 0.000 0.981 339 R CB -0.734 29.539 30.300 -0.046 0.000 0.870 339 R HN 0.748 nan 8.270 nan 0.000 0.451 340 D N 0.214 120.588 120.400 -0.044 0.000 2.084 340 D HA -0.144 4.495 4.640 -0.002 0.000 0.196 340 D C 1.756 178.133 176.300 0.129 0.000 0.985 340 D CA 1.370 55.394 54.000 0.039 0.000 0.826 340 D CB -0.055 40.772 40.800 0.045 0.000 0.978 340 D HN 0.415 nan 8.370 nan 0.000 0.456 341 H N -0.410 118.663 119.070 0.005 0.000 2.352 341 H HA -0.077 4.478 4.556 -0.002 0.000 0.299 341 H C 2.301 177.635 175.328 0.010 0.000 1.097 341 H CA 0.997 57.073 56.048 0.047 0.000 1.311 341 H CB 0.029 29.821 29.762 0.051 0.000 1.377 341 H HN 0.235 nan 8.280 nan 0.000 0.504 342 I N 0.893 121.513 120.570 0.085 0.000 2.286 342 I HA -0.272 3.897 4.170 -0.002 0.000 0.248 342 I C 2.775 178.867 176.117 -0.042 0.000 1.115 342 I CA 1.081 62.381 61.300 0.000 0.000 1.392 342 I CB -0.262 37.696 38.000 -0.071 0.000 1.065 342 I HN 0.343 nan 8.210 nan 0.000 0.418 343 Q N 2.121 121.944 119.800 0.039 0.000 2.172 343 Q HA -0.223 4.116 4.340 -0.002 0.000 0.200 343 Q C 2.038 178.122 176.000 0.140 0.000 0.964 343 Q CA 1.603 57.518 55.803 0.188 0.000 0.855 343 Q CB -0.057 28.803 28.738 0.203 0.000 0.918 343 Q HN 0.516 nan 8.270 nan 0.000 0.444 344 K N -0.007 120.404 120.400 0.019 0.000 2.062 344 K HA -0.091 4.227 4.320 -0.002 0.000 0.205 344 K C 1.935 178.435 176.600 -0.166 0.000 1.051 344 K CA 0.914 57.144 56.287 -0.096 0.000 0.941 344 K CB 0.157 32.530 32.500 -0.211 0.000 0.719 344 K HN -0.062 nan 8.250 nan 0.000 0.440 345 K N 0.793 121.055 120.400 -0.230 0.000 2.167 345 K HA -0.007 4.312 4.320 -0.002 0.000 0.203 345 K C 2.102 178.617 176.600 -0.142 0.000 1.052 345 K CA 0.812 56.909 56.287 -0.317 0.000 0.956 345 K CB -0.048 31.975 32.500 -0.795 0.000 0.735 345 K HN 0.259 nan 8.250 nan 0.000 0.451 346 L N 0.694 121.876 121.223 -0.068 0.000 2.131 346 L HA -0.088 4.251 4.340 -0.002 0.000 0.206 346 L C 2.474 179.499 176.870 0.259 0.000 1.087 346 L CA 0.892 55.770 54.840 0.062 0.000 0.767 346 L CB -0.329 41.666 42.059 -0.106 0.000 0.917 346 L HN 0.183 nan 8.230 nan 0.000 0.441 347 Q N 0.188 120.173 119.800 0.307 0.000 2.119 347 Q HA -0.220 4.119 4.340 -0.002 0.000 0.201 347 Q C 1.766 177.821 176.000 0.091 0.000 0.972 347 Q CA 1.238 57.165 55.803 0.206 0.000 0.847 347 Q CB -0.025 28.760 28.738 0.078 0.000 0.903 347 Q HN 0.482 nan 8.270 nan 0.000 0.433 348 E N -0.313 119.911 120.200 0.041 0.000 2.510 348 E HA -0.100 4.249 4.350 -0.002 0.000 0.202 348 E C 0.903 177.525 176.600 0.036 0.000 1.072 348 E CA 0.478 56.880 56.400 0.004 0.000 0.883 348 E CB 0.162 29.830 29.700 -0.054 0.000 0.818 348 E HN 0.279 nan 8.360 nan 0.000 0.548 349 A N -0.773 122.094 122.820 0.077 0.000 2.431 349 A HA 0.423 4.742 4.320 -0.002 0.000 0.239 349 A C 1.329 178.968 177.584 0.092 0.000 1.230 349 A CA 0.458 52.546 52.037 0.085 0.000 0.928 349 A CB 0.486 19.552 19.000 0.109 0.000 1.006 349 A HN 0.239 nan 8.150 nan 0.000 0.520 350 G N -2.002 106.860 108.800 0.103 0.000 2.143 350 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.175 350 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.175 350 G C -0.266 174.727 174.900 0.154 0.000 1.004 350 G CA -0.099 45.059 45.100 0.095 0.000 0.671 350 G HN 0.809 nan 8.290 nan 0.000 0.512 351 W N 1.826 123.120 121.300 -0.009 0.000 2.335 351 W HA 0.597 5.255 4.660 -0.002 0.000 0.306 351 W C -0.169 176.343 176.519 -0.011 0.000 1.216 351 W CA -1.010 56.328 57.345 -0.012 0.000 1.237 351 W CB 1.150 30.597 29.460 -0.022 0.000 1.243 351 W HN 0.244 nan 8.180 nan 0.000 0.493 352 V N 10.189 129.838 119.914 -0.441 0.000 2.277 352 V HA 0.207 4.326 4.120 -0.002 0.000 0.269 352 V C -1.739 173.847 176.094 -0.846 0.000 1.036 352 V CA -1.915 60.072 62.300 -0.521 0.000 0.821 352 V CB 0.403 32.106 31.823 -0.199 0.000 1.052 352 V HN 0.462 nan 8.190 nan 0.000 0.462 353 P HA 0.075 nan 4.420 nan 0.000 0.263 353 P C 0.764 177.846 177.300 -0.365 0.000 1.175 353 P CA 0.581 63.013 63.100 -1.114 0.000 0.761 353 P CB 0.709 31.656 31.700 -1.255 0.000 0.794 354 T N 1.022 115.475 114.554 -0.169 0.000 3.053 354 T HA 0.033 4.381 4.350 -0.002 0.000 0.236 354 T C 0.510 175.285 174.700 0.126 0.000 0.996 354 T CA 0.550 62.666 62.100 0.026 0.000 1.185 354 T CB 0.062 68.961 68.868 0.052 0.000 0.892 354 T HN 0.384 nan 8.240 nan 0.000 0.432 355 K N 1.854 122.292 120.400 0.063 0.000 2.265 355 K HA 0.375 4.693 4.320 -0.002 0.000 0.267 355 K C -1.694 174.937 176.600 0.052 0.000 0.994 355 K CA -0.684 55.676 56.287 0.121 0.000 0.860 355 K CB 0.645 33.196 32.500 0.085 0.000 1.099 355 K HN 0.184 nan 8.250 nan 0.000 0.448 356 Y N 0.476 120.780 120.300 0.007 0.000 2.519 356 Y HA 0.294 4.843 4.550 -0.002 0.000 0.324 356 Y C 1.159 177.071 175.900 0.020 0.000 1.214 356 Y CA -0.648 57.458 58.100 0.010 0.000 1.260 356 Y CB 1.057 39.509 38.460 -0.013 0.000 1.311 356 Y HN 0.694 nan 8.280 nan 0.000 0.505 357 T N -3.503 111.151 114.554 0.168 0.000 2.868 357 T HA 0.284 4.633 4.350 -0.002 0.000 0.292 357 T C 0.613 175.373 174.700 0.101 0.000 1.028 357 T CA -0.165 61.997 62.100 0.104 0.000 1.059 357 T CB 0.489 69.402 68.868 0.075 0.000 0.991 357 T HN 0.739 nan 8.240 nan 0.000 0.531 358 D N 0.146 120.587 120.400 0.068 0.000 2.636 358 D HA 0.153 4.792 4.640 -0.002 0.000 0.256 358 D C 0.688 177.014 176.300 0.043 0.000 1.280 358 D CA 0.020 54.050 54.000 0.051 0.000 0.910 358 D CB -0.746 40.077 40.800 0.038 0.000 1.045 358 D HN 0.697 nan 8.370 nan 0.000 0.472 359 K N -0.423 120.010 120.400 0.054 0.000 3.529 359 K HA 0.413 4.731 4.320 -0.002 0.000 0.163 359 K C 0.418 177.052 176.600 0.056 0.000 1.066 359 K CA 0.159 56.473 56.287 0.044 0.000 0.748 359 K CB -0.006 32.517 32.500 0.038 0.000 0.839 359 K HN 0.533 nan 8.250 nan 0.000 0.503 360 G N 1.264 110.103 108.800 0.065 0.000 2.274 360 G HA2 0.058 4.016 3.960 -0.002 0.000 0.251 360 G HA3 0.058 4.016 3.960 -0.002 0.000 0.251 360 G C -0.252 174.725 174.900 0.128 0.000 0.836 360 G CA 0.422 45.571 45.100 0.082 0.000 1.246 360 G HN 0.865 nan 8.290 nan 0.000 0.355 361 A N 2.905 125.858 122.820 0.221 0.000 2.581 361 A HA 0.706 5.025 4.320 -0.002 0.000 0.309 361 A C -2.973 174.672 177.584 0.102 0.000 1.022 361 A CA -0.630 51.507 52.037 0.165 0.000 0.833 361 A CB 1.100 20.154 19.000 0.089 0.000 1.208 361 A HN 0.387 nan 8.150 nan 0.000 0.388 362 P HA 0.325 nan 4.420 nan 0.000 0.269 362 P C -0.262 176.987 177.300 -0.084 0.000 1.209 362 P CA -0.121 62.754 63.100 -0.374 0.000 0.776 362 P CB 0.756 32.271 31.700 -0.308 0.000 0.876 363 V N 3.981 123.859 119.914 -0.060 0.000 2.461 363 V HA 0.110 4.229 4.120 -0.002 0.000 0.275 363 V C 0.615 176.764 176.094 0.092 0.000 1.047 363 V CA 0.132 62.452 62.300 0.033 0.000 0.955 363 V CB 1.273 33.118 31.823 0.036 0.000 0.988 363 V HN 0.257 nan 8.190 nan 0.000 0.471 364 V N 4.284 124.221 119.914 0.038 0.000 2.647 364 V HA 0.222 4.341 4.120 -0.002 0.000 0.305 364 V C -0.294 175.782 176.094 -0.031 0.000 1.162 364 V CA -0.821 61.469 62.300 -0.016 0.000 1.248 364 V CB 0.354 32.155 31.823 -0.036 0.000 1.508 364 V HN 1.032 nan 8.190 nan 0.000 0.647 365 D N -1.619 118.773 120.400 -0.013 0.000 2.340 365 D HA 0.209 4.848 4.640 -0.002 0.000 0.251 365 D C 0.988 177.275 176.300 -0.021 0.000 1.080 365 D CA -0.661 53.332 54.000 -0.011 0.000 0.971 365 D CB 1.069 41.871 40.800 0.004 0.000 1.137 365 D HN 0.047 nan 8.370 nan 0.000 0.475 366 D N -0.728 119.664 120.400 -0.013 0.000 2.203 366 D HA -0.264 4.375 4.640 -0.002 0.000 0.199 366 D C 1.486 177.778 176.300 -0.013 0.000 0.997 366 D CA 1.442 55.434 54.000 -0.013 0.000 0.863 366 D CB 0.124 40.924 40.800 -0.000 0.000 0.928 366 D HN 0.601 nan 8.370 nan 0.000 0.458 367 E N -0.306 119.893 120.200 -0.003 0.000 2.031 367 E HA -0.174 4.174 4.350 -0.002 0.000 0.193 367 E C 2.281 178.883 176.600 0.002 0.000 0.994 367 E CA 1.868 58.272 56.400 0.006 0.000 0.800 367 E CB -0.033 29.678 29.700 0.018 0.000 0.752 367 E HN 0.325 nan 8.360 nan 0.000 0.447 368 V N -0.396 119.519 119.914 0.002 0.000 2.358 368 V HA -0.196 3.922 4.120 -0.002 0.000 0.246 368 V C 2.530 178.577 176.094 -0.078 0.000 1.047 368 V CA 1.337 63.641 62.300 0.007 0.000 1.035 368 V CB -0.844 31.014 31.823 0.059 0.000 0.658 368 V HN 0.208 nan 8.190 nan 0.000 0.452 369 L N 0.299 121.447 121.223 -0.125 0.000 2.129 369 L HA -0.196 4.143 4.340 -0.002 0.000 0.212 369 L C 2.829 179.628 176.870 -0.119 0.000 1.087 369 L CA 2.208 56.937 54.840 -0.185 0.000 0.757 369 L CB -0.680 41.300 42.059 -0.132 0.000 0.896 369 L HN 0.464 nan 8.230 nan 0.000 0.434 370 E N 0.422 120.586 120.200 -0.061 0.000 2.204 370 E HA -0.136 4.212 4.350 -0.002 0.000 0.194 370 E C 1.958 178.545 176.600 -0.023 0.000 0.989 370 E CA 1.304 57.685 56.400 -0.031 0.000 0.824 370 E CB -0.182 29.511 29.700 -0.011 0.000 0.756 370 E HN 0.329 nan 8.360 nan 0.000 0.477 371 G N -0.496 108.294 108.800 -0.017 0.000 2.986 371 G HA2 0.082 4.041 3.960 -0.002 0.000 0.213 371 G HA3 0.082 4.041 3.960 -0.002 0.000 0.213 371 G C 0.143 175.054 174.900 0.018 0.000 1.156 371 G CA -0.069 45.041 45.100 0.016 0.000 0.763 371 G HN 0.095 nan 8.290 nan 0.000 0.547 372 V N 1.908 121.782 119.914 -0.068 0.000 2.655 372 V HA 0.299 4.417 4.120 -0.002 0.000 0.300 372 V C -0.086 175.988 176.094 -0.033 0.000 1.044 372 V CA 0.046 62.274 62.300 -0.120 0.000 1.095 372 V CB 0.898 32.434 31.823 -0.478 0.000 0.952 372 V HN 0.194 nan 8.190 nan 0.000 0.485 373 R N 3.752 124.283 120.500 0.052 0.000 2.502 373 R HA 0.626 4.965 4.340 -0.002 0.000 0.300 373 R C -1.024 175.323 176.300 0.079 0.000 0.984 373 R CA -0.440 55.692 56.100 0.053 0.000 0.882 373 R CB 1.802 32.138 30.300 0.060 0.000 1.180 373 R HN 0.599 nan 8.270 nan 0.000 0.444 374 V N -1.298 118.648 119.914 0.053 0.000 3.001 374 V HA 0.481 4.600 4.120 -0.002 0.000 0.314 374 V C 0.765 176.884 176.094 0.041 0.000 1.099 374 V CA -0.839 61.499 62.300 0.063 0.000 0.989 374 V CB 2.419 34.282 31.823 0.067 0.000 1.040 374 V HN 0.474 nan 8.190 nan 0.000 0.434 375 D N 0.447 120.871 120.400 0.040 0.000 2.078 375 D HA -0.121 4.518 4.640 -0.002 0.000 0.193 375 D C 0.716 177.024 176.300 0.013 0.000 0.990 375 D CA 1.990 56.005 54.000 0.024 0.000 0.827 375 D CB 0.006 40.819 40.800 0.023 0.000 0.975 375 D HN 0.882 nan 8.370 nan 0.000 0.451 376 D N 1.338 121.744 120.400 0.010 0.000 2.451 376 D HA -0.051 4.588 4.640 -0.002 0.000 0.254 376 D C -1.345 174.946 176.300 -0.015 0.000 1.204 376 D CA -1.175 52.820 54.000 -0.008 0.000 0.896 376 D CB 1.500 42.290 40.800 -0.016 0.000 1.136 376 D HN 0.034 nan 8.370 nan 0.000 0.499 377 P HA -0.181 nan 4.420 nan 0.000 0.215 377 P C 1.225 178.502 177.300 -0.039 0.000 1.153 377 P CA 0.946 64.033 63.100 -0.022 0.000 0.853 377 P CB 0.332 32.020 31.700 -0.020 0.000 0.788 378 E N 0.078 120.241 120.200 -0.061 0.000 2.160 378 E HA -0.184 4.164 4.350 -0.002 0.000 0.195 378 E C 1.900 178.422 176.600 -0.130 0.000 0.991 378 E CA 1.073 57.414 56.400 -0.098 0.000 0.810 378 E CB 0.036 29.660 29.700 -0.127 0.000 0.742 378 E HN 0.121 nan 8.360 nan 0.000 0.466 379 K N 0.304 120.640 120.400 -0.106 0.000 2.031 379 K HA -0.163 4.156 4.320 -0.002 0.000 0.205 379 K C 2.185 178.789 176.600 0.007 0.000 1.049 379 K CA 1.003 57.251 56.287 -0.065 0.000 0.939 379 K CB -0.462 32.049 32.500 0.019 0.000 0.717 379 K HN 0.069 nan 8.250 nan 0.000 0.438 380 Q N 1.084 120.883 119.800 -0.001 0.000 2.135 380 Q HA -0.097 4.241 4.340 -0.002 0.000 0.204 380 Q C 1.809 177.809 176.000 -0.000 0.000 0.981 380 Q CA 1.975 57.779 55.803 0.002 0.000 0.856 380 Q CB -0.298 28.440 28.738 -0.000 0.000 0.902 380 Q HN 0.329 nan 8.270 nan 0.000 0.425 381 A N -0.353 122.459 122.820 -0.013 0.000 1.968 381 A HA 0.129 4.448 4.320 -0.002 0.000 0.217 381 A C 2.198 179.783 177.584 0.002 0.000 1.169 381 A CA 1.286 53.317 52.037 -0.010 0.000 0.638 381 A CB -0.816 18.169 19.000 -0.024 0.000 0.812 381 A HN 0.473 nan 8.150 nan 0.000 0.446 382 A N 0.249 123.065 122.820 -0.007 0.000 1.969 382 A HA -0.044 4.274 4.320 -0.002 0.000 0.218 382 A C 2.003 179.658 177.584 0.119 0.000 1.169 382 A CA 1.289 53.348 52.037 0.037 0.000 0.635 382 A CB -0.612 18.363 19.000 -0.041 0.000 0.810 382 A HN 0.505 nan 8.150 nan 0.000 0.445 383 I N 0.025 120.650 120.570 0.091 0.000 2.248 383 I HA -0.282 3.887 4.170 -0.002 0.000 0.248 383 I C 1.772 177.918 176.117 0.048 0.000 1.107 383 I CA 1.645 62.979 61.300 0.057 0.000 1.373 383 I CB -0.515 37.481 38.000 -0.006 0.000 1.055 383 I HN 0.338 nan 8.210 nan 0.000 0.418 384 D N 0.775 121.201 120.400 0.042 0.000 2.178 384 D HA -0.099 4.540 4.640 -0.002 0.000 0.202 384 D C 2.404 178.749 176.300 0.074 0.000 0.974 384 D CA 1.101 55.128 54.000 0.044 0.000 0.841 384 D CB 0.010 40.829 40.800 0.031 0.000 0.953 384 D HN 0.357 nan 8.370 nan 0.000 0.478 385 L N 0.762 122.040 121.223 0.091 0.000 2.083 385 L HA -0.125 4.213 4.340 -0.002 0.000 0.209 385 L C 2.595 179.570 176.870 0.175 0.000 1.083 385 L CA 0.688 55.604 54.840 0.127 0.000 0.752 385 L CB -0.291 41.841 42.059 0.121 0.000 0.899 385 L HN 0.016 nan 8.230 nan 0.000 0.433 386 I N -0.162 120.505 120.570 0.163 0.000 2.226 386 I HA -0.282 3.886 4.170 -0.002 0.000 0.245 386 I C 2.558 178.765 176.117 0.151 0.000 1.100 386 I CA 1.330 62.727 61.300 0.161 0.000 1.374 386 I CB -0.260 37.819 38.000 0.131 0.000 1.057 386 I HN 0.263 nan 8.210 nan 0.000 0.413 387 K N 0.462 120.923 120.400 0.101 0.000 2.057 387 K HA -0.228 4.091 4.320 -0.002 0.000 0.207 387 K C 2.018 178.679 176.600 0.102 0.000 1.049 387 K CA 1.343 57.677 56.287 0.078 0.000 0.931 387 K CB -0.249 32.277 32.500 0.043 0.000 0.714 387 K HN 0.354 nan 8.250 nan 0.000 0.440 388 E N 0.323 120.593 120.200 0.117 0.000 2.077 388 E HA -0.223 4.126 4.350 -0.002 0.000 0.193 388 E C 1.972 178.655 176.600 0.137 0.000 0.989 388 E CA 1.009 57.481 56.400 0.120 0.000 0.800 388 E CB -0.105 29.667 29.700 0.120 0.000 0.746 388 E HN 0.284 nan 8.360 nan 0.000 0.452 389 Y N 1.106 121.439 120.300 0.056 0.000 2.181 389 Y HA -0.213 4.336 4.550 -0.002 0.000 0.288 389 Y C 1.979 177.890 175.900 0.019 0.000 1.146 389 Y CA 1.606 59.732 58.100 0.044 0.000 1.164 389 Y CB -0.206 38.286 38.460 0.055 0.000 0.982 389 Y HN 0.022 nan 8.280 nan 0.000 0.515 390 L N -0.417 120.943 121.223 0.229 0.000 2.083 390 L HA -0.273 4.066 4.340 -0.002 0.000 0.209 390 L C 2.718 179.595 176.870 0.012 0.000 1.083 390 L CA 1.605 56.517 54.840 0.119 0.000 0.752 390 L CB -0.554 41.564 42.059 0.098 0.000 0.899 390 L HN 0.386 nan 8.230 nan 0.000 0.433 391 M N -0.091 119.524 119.600 0.024 0.000 2.099 391 M HA -0.186 4.293 4.480 -0.002 0.000 0.262 391 M C 2.375 178.658 176.300 -0.028 0.000 1.067 391 M CA 1.877 57.187 55.300 0.017 0.000 1.124 391 M CB -0.191 32.447 32.600 0.063 0.000 1.353 391 M HN 0.122 nan 8.290 nan 0.000 0.410 392 I N 0.868 121.400 120.570 -0.063 0.000 2.127 392 I HA -0.303 3.865 4.170 -0.002 0.000 0.241 392 I C 2.461 178.446 176.117 -0.221 0.000 1.075 392 I CA 1.635 62.842 61.300 -0.156 0.000 1.334 392 I CB -1.628 36.253 38.000 -0.198 0.000 1.040 392 I HN 0.400 nan 8.210 nan 0.000 0.405 393 Q N 1.452 121.083 119.800 -0.282 0.000 2.135 393 Q HA -0.241 4.098 4.340 -0.002 0.000 0.204 393 Q C 2.062 177.963 176.000 -0.164 0.000 0.981 393 Q CA 1.843 57.495 55.803 -0.252 0.000 0.856 393 Q CB -0.244 28.336 28.738 -0.264 0.000 0.902 393 Q HN 0.202 nan 8.270 nan 0.000 0.425 394 K N -0.223 120.101 120.400 -0.126 0.000 2.063 394 K HA -0.093 4.226 4.320 -0.002 0.000 0.208 394 K C 1.895 178.403 176.600 -0.153 0.000 1.048 394 K CA 1.394 57.616 56.287 -0.108 0.000 0.928 394 K CB -0.034 32.428 32.500 -0.064 0.000 0.713 394 K HN 0.107 nan 8.250 nan 0.000 0.442 395 R N 0.142 120.547 120.500 -0.159 0.000 2.075 395 R HA 0.008 4.347 4.340 -0.002 0.000 0.232 395 R C 2.459 178.596 176.300 -0.272 0.000 1.126 395 R CA 1.448 57.425 56.100 -0.205 0.000 0.963 395 R CB -0.742 29.442 30.300 -0.194 0.000 0.858 395 R HN 0.317 nan 8.270 nan 0.000 0.435 396 I N 0.277 120.711 120.570 -0.227 0.000 2.179 396 I HA -0.195 3.974 4.170 -0.002 0.000 0.242 396 I C 2.543 178.490 176.117 -0.284 0.000 1.088 396 I CA 1.618 62.787 61.300 -0.218 0.000 1.357 396 I CB -0.862 37.073 38.000 -0.109 0.000 1.051 396 I HN 0.250 nan 8.210 nan 0.000 0.409 397 G N -0.108 108.555 108.800 -0.229 0.000 2.476 397 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.218 397 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.218 397 G C 1.586 176.314 174.900 -0.287 0.000 1.164 397 G CA 0.937 45.910 45.100 -0.213 0.000 0.768 397 G HN 0.432 nan 8.290 nan 0.000 0.560 398 Q N 0.375 119.949 119.800 -0.377 0.000 2.245 398 Q HA -0.050 4.289 4.340 -0.002 0.000 0.201 398 Q C 2.636 178.010 176.000 -1.043 0.000 0.955 398 Q CA 1.664 57.119 55.803 -0.579 0.000 0.870 398 Q CB -0.019 28.395 28.738 -0.540 0.000 0.945 398 Q HN 0.621 nan 8.270 nan 0.000 0.461 399 S N -1.706 113.462 115.700 -0.886 0.000 2.475 399 S HA 0.293 4.762 4.470 -0.002 0.000 0.224 399 S C 1.430 175.835 174.600 -0.325 0.000 1.042 399 S CA 0.241 57.993 58.200 -0.747 0.000 0.935 399 S CB 0.803 63.762 63.200 -0.403 0.000 0.801 399 S HN 0.362 nan 8.310 nan 0.000 0.509 400 A N 1.270 123.828 122.820 -0.436 0.000 1.878 400 A HA 0.430 4.749 4.320 -0.002 0.000 0.201 400 A C 1.703 179.045 177.584 -0.403 0.000 1.684 400 A CA 0.229 51.959 52.037 -0.512 0.000 1.113 400 A CB -0.002 18.274 19.000 -1.207 0.000 1.131 400 A HN 0.350 nan 8.150 nan 0.000 0.472 401 E N 0.606 120.591 120.200 -0.358 0.000 2.276 401 E HA 0.162 4.511 4.350 -0.002 0.000 0.193 401 E C 1.234 177.760 176.600 -0.123 0.000 0.983 401 E CA 0.177 56.459 56.400 -0.196 0.000 0.861 401 E CB -0.006 29.614 29.700 -0.133 0.000 0.817 401 E HN 0.485 nan 8.360 nan 0.000 0.485 402 G N 1.339 110.059 108.800 -0.134 0.000 2.664 402 G HA2 -0.116 3.842 3.960 -0.002 0.000 0.242 402 G HA3 -0.116 3.842 3.960 -0.002 0.000 0.242 402 G C 0.157 175.040 174.900 -0.027 0.000 1.225 402 G CA -0.338 44.716 45.100 -0.077 0.000 0.849 402 G HN -0.076 nan 8.290 nan 0.000 0.581 403 D N 0.065 120.473 120.400 0.014 0.000 2.123 403 D HA -0.073 4.565 4.640 -0.002 0.000 0.196 403 D C 1.780 178.170 176.300 0.150 0.000 0.992 403 D CA 1.060 55.092 54.000 0.054 0.000 0.833 403 D CB 0.191 41.033 40.800 0.070 0.000 0.954 403 D HN 0.258 nan 8.370 nan 0.000 0.455 404 K N 0.793 121.320 120.400 0.211 0.000 2.577 404 K HA 0.353 4.671 4.320 -0.002 0.000 0.210 404 K C 0.036 176.822 176.600 0.311 0.000 1.048 404 K CA -0.264 56.270 56.287 0.412 0.000 1.188 404 K CB 0.301 32.952 32.500 0.252 0.000 0.910 404 K HN -0.028 nan 8.250 nan 0.000 0.483 405 A N 0.748 123.659 122.820 0.153 0.000 2.498 405 A HA 0.023 4.342 4.320 -0.002 0.000 0.239 405 A C 0.758 178.466 177.584 0.207 0.000 1.068 405 A CA -0.292 51.749 52.037 0.007 0.000 0.766 405 A CB 0.048 18.990 19.000 -0.096 0.000 1.003 405 A HN 0.322 nan 8.150 nan 0.000 0.497 406 W N 1.712 123.066 121.300 0.090 0.000 2.318 406 W HA -0.202 4.456 4.660 -0.002 0.000 0.313 406 W C 1.805 178.261 176.519 -0.105 0.000 1.221 406 W CA 1.123 58.456 57.345 -0.021 0.000 1.266 406 W CB -1.349 28.151 29.460 0.067 0.000 1.150 406 W HN 0.672 nan 8.180 nan 0.000 0.496 407 L N -0.069 121.300 121.223 0.244 0.000 2.187 407 L HA -0.172 4.167 4.340 -0.002 0.000 0.213 407 L C 2.401 179.300 176.870 0.049 0.000 1.100 407 L CA 1.311 56.245 54.840 0.157 0.000 0.765 407 L CB -0.655 41.467 42.059 0.105 0.000 0.904 407 L HN -0.025 nan 8.230 nan 0.000 0.437 408 R N -2.029 118.482 120.500 0.019 0.000 2.276 408 R HA -0.035 4.304 4.340 -0.002 0.000 0.196 408 R C 1.392 177.556 176.300 -0.227 0.000 0.961 408 R CA 0.499 56.540 56.100 -0.098 0.000 1.024 408 R CB 0.134 30.355 30.300 -0.131 0.000 0.940 408 R HN 0.268 nan 8.270 nan 0.000 0.480 409 Y N 0.068 120.366 120.300 -0.003 0.000 2.498 409 Y HA 0.112 4.660 4.550 -0.002 0.000 0.259 409 Y C 0.655 176.527 175.900 -0.046 0.000 1.086 409 Y CA -0.428 57.670 58.100 -0.002 0.000 1.287 409 Y CB 0.759 39.248 38.460 0.047 0.000 1.146 409 Y HN -0.286 nan 8.280 nan 0.000 0.523 410 V N 1.428 121.328 119.914 -0.023 0.000 2.694 410 V HA 0.217 4.336 4.120 -0.002 0.000 0.306 410 V C 0.622 176.737 176.094 0.034 0.000 1.054 410 V CA -0.334 61.934 62.300 -0.054 0.000 1.161 410 V CB -0.218 31.579 31.823 -0.044 0.000 0.916 410 V HN 0.217 nan 8.190 nan 0.000 0.490 411 A N 3.364 126.234 122.820 0.083 0.000 2.263 411 A HA 0.543 4.862 4.320 -0.002 0.000 0.318 411 A C 1.139 178.753 177.584 0.050 0.000 1.111 411 A CA -0.517 51.568 52.037 0.080 0.000 0.901 411 A CB 0.422 19.506 19.000 0.140 0.000 1.280 411 A HN 0.788 nan 8.150 nan 0.000 0.503 412 E N 0.302 120.518 120.200 0.027 0.000 2.160 412 E HA -0.205 4.143 4.350 -0.002 0.000 0.195 412 E C 1.011 177.616 176.600 0.009 0.000 0.991 412 E CA 1.799 58.205 56.400 0.010 0.000 0.810 412 E CB -0.305 29.392 29.700 -0.004 0.000 0.742 412 E HN 0.805 nan 8.360 nan 0.000 0.466 413 D N -0.894 119.519 120.400 0.023 0.000 2.378 413 D HA 0.013 4.652 4.640 -0.002 0.000 0.227 413 D C 1.155 177.442 176.300 -0.022 0.000 1.012 413 D CA 0.837 54.837 54.000 -0.000 0.000 0.905 413 D CB -0.271 40.542 40.800 0.023 0.000 0.895 413 D HN 0.162 nan 8.370 nan 0.000 0.532 414 G N -0.351 108.454 108.800 0.008 0.000 2.147 414 G HA2 -0.317 3.641 3.960 -0.002 0.000 0.244 414 G HA3 -0.317 3.641 3.960 -0.002 0.000 0.244 414 G C -0.013 174.889 174.900 0.002 0.000 1.005 414 G CA 0.370 45.474 45.100 0.007 0.000 0.713 414 G HN 0.535 nan 8.290 nan 0.000 0.515 415 K N -0.868 119.527 120.400 -0.008 0.000 2.395 415 K HA 0.727 5.046 4.320 -0.002 0.000 0.247 415 K C -0.238 176.300 176.600 -0.105 0.000 0.973 415 K CA -1.081 55.152 56.287 -0.090 0.000 0.828 415 K CB 2.111 34.455 32.500 -0.261 0.000 1.272 415 K HN 0.089 nan 8.250 nan 0.000 0.439 416 I N 3.013 123.503 120.570 -0.133 0.000 2.307 416 I HA 0.130 4.298 4.170 -0.002 0.000 0.289 416 I C -0.085 175.992 176.117 -0.066 0.000 1.021 416 I CA -0.506 60.756 61.300 -0.064 0.000 1.224 416 I CB 0.544 38.486 38.000 -0.098 0.000 1.376 416 I HN 0.444 nan 8.210 nan 0.000 0.470 417 H N 6.176 125.323 119.070 0.129 0.000 2.745 417 H HA 0.171 4.725 4.556 -0.002 0.000 0.235 417 H C 0.701 176.103 175.328 0.123 0.000 1.815 417 H CA -0.307 55.821 56.048 0.132 0.000 1.321 417 H CB 0.268 30.095 29.762 0.110 0.000 1.716 417 H HN 0.739 nan 8.280 nan 0.000 0.546 418 G N 1.338 110.235 108.800 0.162 0.000 2.380 418 G HA2 0.009 3.968 3.960 -0.002 0.000 0.242 418 G HA3 0.009 3.968 3.960 -0.002 0.000 0.242 418 G C 0.325 175.301 174.900 0.126 0.000 1.298 418 G CA -0.306 44.862 45.100 0.114 0.000 0.878 418 G HN 0.403 nan 8.290 nan 0.000 0.542 419 S N -0.064 115.698 115.700 0.105 0.000 2.565 419 S HA 0.453 4.922 4.470 -0.002 0.000 0.276 419 S C -0.044 174.561 174.600 0.010 0.000 1.326 419 S CA -0.456 57.802 58.200 0.097 0.000 1.045 419 S CB 0.803 64.114 63.200 0.184 0.000 0.918 419 S HN 0.460 nan 8.310 nan 0.000 0.505 420 V N 5.480 125.394 119.914 0.000 0.000 2.623 420 V HA 0.380 4.498 4.120 -0.002 0.000 0.304 420 V C -0.368 175.682 176.094 -0.073 0.000 1.054 420 V CA -1.036 61.209 62.300 -0.092 0.000 0.882 420 V CB 2.013 33.815 31.823 -0.035 0.000 1.002 420 V HN 0.878 nan 8.190 nan 0.000 0.424 421 N N 6.237 124.857 118.700 -0.134 0.000 2.558 421 N HA 0.309 5.047 4.740 -0.002 0.000 0.233 421 N C -1.863 173.624 175.510 -0.038 0.000 1.038 421 N CA -1.940 51.072 53.050 -0.063 0.000 0.934 421 N CB 2.039 40.488 38.487 -0.062 0.000 1.175 421 N HN 0.248 nan 8.380 nan 0.000 0.512 422 P HA -0.135 nan 4.420 nan 0.000 0.218 422 P C 0.025 177.409 177.300 0.140 0.000 1.150 422 P CA 1.451 64.636 63.100 0.141 0.000 0.841 422 P CB 0.308 32.075 31.700 0.112 0.000 0.784 423 N N -2.684 116.059 118.700 0.070 0.000 2.536 423 N HA 0.190 4.929 4.740 -0.002 0.000 0.286 423 N C 1.123 176.660 175.510 0.045 0.000 1.577 423 N CA -0.052 53.043 53.050 0.076 0.000 0.883 423 N CB -0.373 38.154 38.487 0.067 0.000 1.390 423 N HN -0.159 nan 8.380 nan 0.000 0.491 424 G N -0.719 108.092 108.800 0.019 0.000 2.625 424 G HA2 0.193 4.151 3.960 -0.002 0.000 0.214 424 G HA3 0.193 4.151 3.960 -0.002 0.000 0.214 424 G C 0.446 175.362 174.900 0.027 0.000 1.132 424 G CA 0.532 45.639 45.100 0.011 0.000 0.782 424 G HN 0.424 nan 8.290 nan 0.000 0.538 425 A N -0.494 122.353 122.820 0.045 0.000 2.337 425 A HA 0.607 4.926 4.320 -0.002 0.000 0.331 425 A C 1.443 179.067 177.584 0.066 0.000 1.137 425 A CA -0.022 52.047 52.037 0.053 0.000 0.807 425 A CB 1.529 20.566 19.000 0.061 0.000 1.250 425 A HN 0.465 nan 8.150 nan 0.000 0.468 426 V N 0.402 120.355 119.914 0.066 0.000 2.282 426 V HA -0.250 3.869 4.120 -0.002 0.000 0.249 426 V C 2.367 178.520 176.094 0.098 0.000 1.057 426 V CA 2.825 65.177 62.300 0.086 0.000 1.032 426 V CB -2.251 29.636 31.823 0.106 0.000 0.645 426 V HN 1.087 nan 8.190 nan 0.000 0.447 427 T N -2.016 112.592 114.554 0.090 0.000 2.977 427 T HA 0.227 4.575 4.350 -0.002 0.000 0.271 427 T C 1.638 176.414 174.700 0.127 0.000 1.105 427 T CA 1.486 63.647 62.100 0.102 0.000 1.116 427 T CB -0.027 68.893 68.868 0.087 0.000 0.878 427 T HN 1.645 nan 8.240 nan 0.000 0.509 428 G N 0.776 109.653 108.800 0.129 0.000 2.168 428 G HA2 -0.167 3.791 3.960 -0.002 0.000 0.197 428 G HA3 -0.167 3.791 3.960 -0.002 0.000 0.197 428 G C 0.116 175.135 174.900 0.199 0.000 0.997 428 G CA -0.324 44.872 45.100 0.159 0.000 0.658 428 G HN 0.649 nan 8.290 nan 0.000 0.513 429 R N 0.356 120.957 120.500 0.168 0.000 2.577 429 R HA 0.689 5.028 4.340 -0.002 0.000 0.269 429 R C 0.893 177.262 176.300 0.115 0.000 1.084 429 R CA 0.317 56.527 56.100 0.182 0.000 1.163 429 R CB 0.804 31.205 30.300 0.168 0.000 1.100 429 R HN 0.442 nan 8.270 nan 0.000 0.547 430 A N 0.573 123.390 122.820 -0.004 0.000 2.257 430 A HA 0.473 4.791 4.320 -0.002 0.000 0.289 430 A C -0.238 177.239 177.584 -0.179 0.000 1.095 430 A CA -0.377 51.568 52.037 -0.154 0.000 0.836 430 A CB 0.816 19.571 19.000 -0.407 0.000 1.111 430 A HN 0.739 nan 8.150 nan 0.000 0.497 431 T N -1.335 113.039 114.554 -0.300 0.000 2.900 431 T HA 0.701 5.050 4.350 -0.002 0.000 0.295 431 T C -1.029 173.439 174.700 -0.388 0.000 1.044 431 T CA -0.660 61.354 62.100 -0.143 0.000 0.995 431 T CB 1.180 70.013 68.868 -0.058 0.000 1.072 431 T HN 0.669 nan 8.240 nan 0.000 0.473 432 H N 0.207 119.197 119.070 -0.133 0.000 2.637 432 H HA 0.905 5.460 4.556 -0.002 0.000 0.363 432 H C -0.183 175.018 175.328 -0.212 0.000 1.131 432 H CA -0.605 55.358 56.048 -0.143 0.000 1.183 432 H CB 1.808 31.498 29.762 -0.120 0.000 1.637 432 H HN 1.152 nan 8.280 nan 0.000 0.531 433 A N 0.900 123.599 122.820 -0.202 0.000 2.586 433 A HA 0.563 4.882 4.320 -0.002 0.000 0.290 433 A C -1.501 175.806 177.584 -0.462 0.000 1.086 433 A CA -0.986 50.756 52.037 -0.492 0.000 0.665 433 A CB 0.456 18.859 19.000 -0.996 0.000 1.279 433 A HN 0.600 nan 8.150 nan 0.000 0.423 434 F N -2.049 117.801 119.950 -0.168 0.000 2.983 434 F HA -0.119 4.407 4.527 -0.002 0.000 0.288 434 F C -2.309 172.987 175.800 -0.840 0.000 0.980 434 F CA 0.664 58.385 58.000 -0.467 0.000 0.965 434 F CB -2.366 36.514 39.000 -0.200 0.000 0.967 434 F HN 0.397 nan 8.300 nan 0.000 0.800 435 P HA 0.232 nan 4.420 nan 0.000 0.287 435 P C -0.190 177.079 177.300 -0.051 0.000 1.290 435 P CA -0.652 62.336 63.100 -0.187 0.000 0.889 435 P CB 1.329 33.035 31.700 0.010 0.000 1.190 436 N N 1.663 120.351 118.700 -0.021 0.000 2.410 436 N HA 0.014 4.753 4.740 -0.002 0.000 0.281 436 N C 0.886 176.411 175.510 0.025 0.000 1.241 436 N CA 0.204 53.252 53.050 -0.003 0.000 0.998 436 N CB -0.797 37.678 38.487 -0.019 0.000 1.376 436 N HN 0.332 nan 8.380 nan 0.000 0.490 437 L N 1.610 122.852 121.223 0.031 0.000 2.622 437 L HA 0.017 4.355 4.340 -0.002 0.000 0.233 437 L C 1.522 178.381 176.870 -0.018 0.000 1.156 437 L CA 0.367 55.215 54.840 0.013 0.000 0.866 437 L CB -0.236 41.883 42.059 0.101 0.000 0.980 437 L HN 0.508 nan 8.230 nan 0.000 0.448 438 A N 0.123 122.828 122.820 -0.192 0.000 2.415 438 A HA 0.056 4.375 4.320 -0.002 0.000 0.248 438 A C 1.266 178.744 177.584 -0.176 0.000 1.299 438 A CA -0.105 51.723 52.037 -0.348 0.000 0.899 438 A CB -0.148 18.263 19.000 -0.980 0.000 0.997 438 A HN 0.582 nan 8.150 nan 0.000 0.506 439 Q N -0.196 119.539 119.800 -0.108 0.000 2.063 439 Q HA 0.315 4.654 4.340 -0.002 0.000 0.245 439 Q C -0.602 175.373 176.000 -0.042 0.000 0.828 439 Q CA -0.543 55.220 55.803 -0.067 0.000 1.089 439 Q CB 0.117 28.839 28.738 -0.026 0.000 1.232 439 Q HN 0.244 nan 8.270 nan 0.000 0.445 440 I N 2.701 123.191 120.570 -0.134 0.000 2.692 440 I HA 0.200 4.368 4.170 -0.002 0.000 0.284 440 I C -1.944 174.104 176.117 -0.114 0.000 1.159 440 I CA -2.135 59.106 61.300 -0.100 0.000 1.423 440 I CB -0.236 37.448 38.000 -0.527 0.000 1.380 440 I HN 0.104 nan 8.210 nan 0.000 0.580 441 P HA 0.078 nan 4.420 nan 0.000 0.265 441 P C 0.276 177.520 177.300 -0.094 0.000 1.193 441 P CA -0.006 63.094 63.100 -0.001 0.000 0.765 441 P CB 0.457 32.212 31.700 0.092 0.000 0.823 442 G N 1.328 110.064 108.800 -0.108 0.000 2.569 442 G HA2 0.227 4.186 3.960 -0.002 0.000 0.249 442 G HA3 0.227 4.186 3.960 -0.002 0.000 0.249 442 G C 1.300 176.149 174.900 -0.085 0.000 1.216 442 G CA -0.445 44.569 45.100 -0.142 0.000 0.845 442 G HN 0.428 nan 8.290 nan 0.000 0.568 443 V N -0.500 119.359 119.914 -0.090 0.000 2.688 443 V HA -0.103 4.016 4.120 -0.002 0.000 0.256 443 V C 2.477 178.554 176.094 -0.029 0.000 1.084 443 V CA 1.507 63.782 62.300 -0.042 0.000 1.103 443 V CB -0.614 31.192 31.823 -0.029 0.000 0.688 443 V HN 0.439 nan 8.190 nan 0.000 0.480 444 R N 2.001 122.479 120.500 -0.037 0.000 2.276 444 R HA 0.180 4.519 4.340 -0.002 0.000 0.203 444 R C 1.355 177.639 176.300 -0.026 0.000 1.017 444 R CA 0.666 56.747 56.100 -0.030 0.000 1.010 444 R CB -0.577 29.703 30.300 -0.033 0.000 0.900 444 R HN 0.901 nan 8.270 nan 0.000 0.469 445 S N -0.430 115.259 115.700 -0.019 0.000 2.687 445 S HA 0.540 5.008 4.470 -0.002 0.000 0.283 445 S C -2.631 171.967 174.600 -0.002 0.000 1.170 445 S CA -1.786 56.410 58.200 -0.006 0.000 1.008 445 S CB 1.750 64.955 63.200 0.008 0.000 1.026 445 S HN -0.173 nan 8.310 nan 0.000 0.541 446 P HA 0.121 nan 4.420 nan 0.000 0.260 446 P C -0.730 176.624 177.300 0.089 0.000 1.185 446 P CA 0.652 63.712 63.100 -0.067 0.000 0.763 446 P CB -0.484 31.218 31.700 0.002 0.000 0.776 447 Y N 0.990 121.305 120.300 0.024 0.000 4.841 447 Y HA -0.243 4.306 4.550 -0.002 0.000 0.242 447 Y C 1.902 177.836 175.900 0.057 0.000 1.002 447 Y CA 1.112 59.237 58.100 0.042 0.000 2.011 447 Y CB -2.486 36.002 38.460 0.047 0.000 1.554 447 Y HN 0.522 nan 8.280 nan 0.000 0.618 448 G N -0.090 108.789 108.800 0.131 0.000 2.471 448 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.219 448 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.219 448 G C 1.473 176.416 174.900 0.071 0.000 1.125 448 G CA 1.117 46.269 45.100 0.087 0.000 0.775 448 G HN 0.401 nan 8.290 nan 0.000 0.548 449 E N 0.689 120.931 120.200 0.069 0.000 2.028 449 E HA -0.097 4.251 4.350 -0.002 0.000 0.191 449 E C 2.681 179.342 176.600 0.101 0.000 0.988 449 E CA 0.911 57.351 56.400 0.067 0.000 0.799 449 E CB -0.385 29.344 29.700 0.050 0.000 0.755 449 E HN 0.520 nan 8.360 nan 0.000 0.447 450 Q N -0.092 119.785 119.800 0.129 0.000 2.096 450 Q HA -0.143 4.195 4.340 -0.002 0.000 0.204 450 Q C 2.478 178.569 176.000 0.152 0.000 0.982 450 Q CA 1.713 57.597 55.803 0.136 0.000 0.850 450 Q CB -0.255 28.582 28.738 0.166 0.000 0.901 450 Q HN 0.267 nan 8.270 nan 0.000 0.422 451 C N -0.129 119.301 119.300 0.218 0.000 2.436 451 C HA -0.109 4.349 4.460 -0.002 0.000 0.277 451 C C 2.585 177.697 174.990 0.204 0.000 1.241 451 C CA 0.727 59.925 59.018 0.300 0.000 1.721 451 C CB -0.732 27.266 27.740 0.430 0.000 2.043 451 C HN 0.426 nan 8.230 nan 0.000 0.472 452 R N 1.060 121.635 120.500 0.125 0.000 2.120 452 R HA -0.035 4.304 4.340 -0.002 0.000 0.234 452 R C 2.146 178.587 176.300 0.235 0.000 1.123 452 R CA 1.619 57.777 56.100 0.097 0.000 0.975 452 R CB -0.593 29.693 30.300 -0.024 0.000 0.866 452 R HN 0.549 nan 8.270 nan 0.000 0.446 453 A N -0.301 122.627 122.820 0.181 0.000 2.014 453 A HA 0.059 4.378 4.320 -0.002 0.000 0.218 453 A C 2.120 179.848 177.584 0.239 0.000 1.163 453 A CA 1.271 53.428 52.037 0.199 0.000 0.652 453 A CB -0.567 18.518 19.000 0.142 0.000 0.808 453 A HN 0.360 nan 8.150 nan 0.000 0.449 454 A N -1.399 121.457 122.820 0.059 0.000 2.172 454 A HA 0.231 4.549 4.320 -0.002 0.000 0.216 454 A C 0.238 177.589 177.584 -0.389 0.000 1.154 454 A CA 0.370 52.213 52.037 -0.323 0.000 0.701 454 A CB -0.472 18.159 19.000 -0.615 0.000 0.789 454 A HN 0.352 nan 8.150 nan 0.000 0.465 455 F N -0.174 119.754 119.950 -0.037 0.000 2.325 455 F HA 0.587 5.113 4.527 -0.002 0.000 0.369 455 F C 0.700 176.587 175.800 0.145 0.000 1.095 455 F CA -0.069 57.817 58.000 -0.191 0.000 1.082 455 F CB 1.530 40.125 39.000 -0.675 0.000 1.289 455 F HN 0.132 nan 8.300 nan 0.000 0.462 456 G N 0.575 109.675 108.800 0.500 0.000 2.632 456 G HA2 0.489 4.447 3.960 -0.002 0.000 0.292 456 G HA3 0.489 4.447 3.960 -0.002 0.000 0.292 456 G C 0.000 175.047 174.900 0.244 0.000 1.465 456 G CA -0.241 45.078 45.100 0.364 0.000 0.824 456 G HN 0.609 nan 8.290 nan 0.000 0.509 457 A N 0.064 123.018 122.820 0.223 0.000 1.969 457 A HA 0.021 4.339 4.320 -0.002 0.000 0.218 457 A C 1.988 179.674 177.584 0.171 0.000 1.169 457 A CA 2.111 54.307 52.037 0.264 0.000 0.635 457 A CB -0.563 18.647 19.000 0.350 0.000 0.810 457 A HN 0.969 nan 8.150 nan 0.000 0.445 458 E N -0.459 119.730 120.200 -0.017 0.000 2.219 458 E HA -0.272 4.077 4.350 -0.002 0.000 0.198 458 E C 1.008 177.548 176.600 -0.099 0.000 0.998 458 E CA 1.496 57.843 56.400 -0.088 0.000 0.818 458 E CB -0.652 28.922 29.700 -0.211 0.000 0.741 458 E HN 0.739 nan 8.360 nan 0.000 0.477 459 H N -0.559 118.562 119.070 0.085 0.000 2.543 459 H HA 0.108 4.663 4.556 -0.002 0.000 0.269 459 H C -0.273 175.046 175.328 -0.015 0.000 1.005 459 H CA 0.653 56.708 56.048 0.012 0.000 1.146 459 H CB -0.500 29.248 29.762 -0.023 0.000 1.353 459 H HN 0.335 nan 8.280 nan 0.000 0.595 460 H N 0.522 119.564 119.070 -0.046 0.000 2.505 460 H HA 0.384 4.939 4.556 -0.002 0.000 0.338 460 H C -0.821 174.437 175.328 -0.117 0.000 1.057 460 H CA -0.613 55.293 56.048 -0.236 0.000 1.202 460 H CB 0.461 29.884 29.762 -0.565 0.000 1.466 460 H HN -0.021 nan 8.280 nan 0.000 0.499 461 L N 4.163 124.990 121.223 -0.659 0.000 2.289 461 L HA 0.234 4.573 4.340 -0.002 0.000 0.285 461 L C 0.227 176.761 176.870 -0.560 0.000 1.049 461 L CA -0.945 53.664 54.840 -0.384 0.000 0.804 461 L CB 1.140 43.073 42.059 -0.210 0.000 1.195 461 L HN 0.721 nan 8.230 nan 0.000 0.428 462 D N 1.988 122.335 120.400 -0.089 0.000 2.525 462 D HA 0.017 4.656 4.640 -0.002 0.000 0.235 462 D C 1.329 177.652 176.300 0.037 0.000 1.137 462 D CA 0.675 54.768 54.000 0.155 0.000 0.868 462 D CB 1.519 42.558 40.800 0.398 0.000 1.180 462 D HN 0.667 nan 8.370 nan 0.000 0.465 463 G N 2.844 111.706 108.800 0.103 0.000 2.498 463 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.219 463 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.219 463 G C 1.257 176.201 174.900 0.073 0.000 1.119 463 G CA 0.593 45.735 45.100 0.070 0.000 0.766 463 G HN 0.600 nan 8.290 nan 0.000 0.552 464 I N -0.164 120.468 120.570 0.103 0.000 3.393 464 I HA 0.019 4.188 4.170 -0.002 0.000 0.250 464 I C 2.714 178.868 176.117 0.061 0.000 1.122 464 I CA 1.273 62.619 61.300 0.078 0.000 1.484 464 I CB 0.000 38.054 38.000 0.090 0.000 1.468 464 I HN 0.159 nan 8.210 nan 0.000 0.461 465 T N -1.406 113.194 114.554 0.077 0.000 3.129 465 T HA 0.179 4.527 4.350 -0.002 0.000 0.251 465 T C 1.588 176.315 174.700 0.045 0.000 1.117 465 T CA 0.554 62.687 62.100 0.056 0.000 1.034 465 T CB 0.151 69.054 68.868 0.058 0.000 0.968 465 T HN 0.574 nan 8.240 nan 0.000 0.526 466 G N 1.753 110.576 108.800 0.038 0.000 2.205 466 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.269 466 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.269 466 G C 0.089 175.002 174.900 0.022 0.000 0.977 466 G CA 0.377 45.482 45.100 0.008 0.000 0.652 466 G HN 0.605 nan 8.290 nan 0.000 0.539 467 K N 0.866 121.305 120.400 0.065 0.000 2.174 467 K HA 0.434 4.753 4.320 -0.002 0.000 0.275 467 K C -2.322 174.366 176.600 0.146 0.000 1.015 467 K CA -2.415 53.920 56.287 0.081 0.000 0.933 467 K CB 0.717 33.259 32.500 0.070 0.000 1.025 467 K HN 0.046 nan 8.250 nan 0.000 0.463 468 P HA -0.030 nan 4.420 nan 0.000 0.266 468 P C -0.516 176.971 177.300 0.312 0.000 1.195 468 P CA 0.049 63.247 63.100 0.164 0.000 0.768 468 P CB 0.344 32.099 31.700 0.092 0.000 0.838 469 W N 2.118 123.475 121.300 0.094 0.000 2.213 469 W HA 0.390 5.049 4.660 -0.002 0.000 0.356 469 W C -0.282 176.295 176.519 0.097 0.000 1.273 469 W CA -0.007 57.430 57.345 0.153 0.000 1.391 469 W CB 0.348 29.998 29.460 0.316 0.000 1.187 469 W HN 0.038 nan 8.180 nan 0.000 0.649 470 V N 0.881 120.940 119.914 0.241 0.000 2.881 470 V HA 0.381 4.500 4.120 -0.002 0.000 0.316 470 V C -0.423 175.763 176.094 0.153 0.000 1.070 470 V CA -1.141 61.239 62.300 0.133 0.000 0.976 470 V CB 1.583 33.426 31.823 0.033 0.000 1.038 470 V HN 0.440 nan 8.190 nan 0.000 0.446 471 Q N 1.276 121.140 119.800 0.107 0.000 2.306 471 Q HA 0.785 5.124 4.340 -0.002 0.000 0.265 471 Q C -0.953 175.068 176.000 0.035 0.000 1.022 471 Q CA -0.722 55.130 55.803 0.082 0.000 0.853 471 Q CB 2.024 30.820 28.738 0.097 0.000 1.327 471 Q HN 0.938 nan 8.270 nan 0.000 0.449 472 A N 2.011 124.827 122.820 -0.007 0.000 2.375 472 A HA 0.692 5.010 4.320 -0.002 0.000 0.291 472 A C -0.494 177.068 177.584 -0.036 0.000 1.160 472 A CA -0.285 51.739 52.037 -0.021 0.000 0.747 472 A CB 1.125 20.093 19.000 -0.055 0.000 1.170 472 A HN 0.704 nan 8.150 nan 0.000 0.458 473 G N 1.615 110.430 108.800 0.024 0.000 2.335 473 G HA2 0.568 4.527 3.960 -0.002 0.000 0.314 473 G HA3 0.568 4.527 3.960 -0.002 0.000 0.314 473 G C -0.863 174.094 174.900 0.096 0.000 1.129 473 G CA -0.255 44.880 45.100 0.058 0.000 0.912 473 G HN 0.506 nan 8.290 nan 0.000 0.443 474 I N 1.883 122.523 120.570 0.118 0.000 2.465 474 I HA 0.364 4.533 4.170 -0.002 0.000 0.291 474 I C -0.764 175.559 176.117 0.343 0.000 1.014 474 I CA -0.781 60.649 61.300 0.217 0.000 1.093 474 I CB 2.353 40.507 38.000 0.257 0.000 1.267 474 I HN 0.236 nan 8.210 nan 0.000 0.431 475 D N 4.501 125.065 120.400 0.273 0.000 2.391 475 D HA 0.569 5.207 4.640 -0.002 0.000 0.245 475 D C -0.568 175.796 176.300 0.108 0.000 1.069 475 D CA -0.394 53.749 54.000 0.238 0.000 0.831 475 D CB 2.421 43.325 40.800 0.173 0.000 1.204 475 D HN 0.634 nan 8.370 nan 0.000 0.503 476 A N 2.562 125.394 122.820 0.019 0.000 2.451 476 A HA 0.310 4.628 4.320 -0.002 0.000 0.266 476 A C 0.434 178.001 177.584 -0.029 0.000 1.119 476 A CA -0.076 51.848 52.037 -0.188 0.000 0.786 476 A CB 0.108 18.949 19.000 -0.265 0.000 1.061 476 A HN 0.439 nan 8.150 nan 0.000 0.503 477 S N 1.899 117.578 115.700 -0.035 0.000 2.533 477 S HA 0.384 4.853 4.470 -0.002 0.000 0.282 477 S C 1.373 176.012 174.600 0.065 0.000 1.304 477 S CA 0.439 58.656 58.200 0.029 0.000 1.063 477 S CB 0.697 63.909 63.200 0.020 0.000 0.881 477 S HN 1.927 nan 8.310 nan 0.000 0.493 478 G N 2.448 111.320 108.800 0.120 0.000 2.447 478 G HA2 -0.266 3.692 3.960 -0.002 0.000 0.293 478 G HA3 -0.266 3.692 3.960 -0.002 0.000 0.293 478 G C 0.735 175.733 174.900 0.163 0.000 0.894 478 G CA 0.398 45.607 45.100 0.182 0.000 1.066 478 G HN 0.691 nan 8.290 nan 0.000 0.503 479 L N -0.101 121.211 121.223 0.148 0.000 2.013 479 L HA -0.102 4.237 4.340 -0.002 0.000 0.212 479 L C 2.585 179.577 176.870 0.202 0.000 1.073 479 L CA 2.742 57.670 54.840 0.147 0.000 0.753 479 L CB -0.228 41.910 42.059 0.131 0.000 0.890 479 L HN 0.402 nan 8.230 nan 0.000 0.432 480 E N -0.503 119.830 120.200 0.221 0.000 2.118 480 E HA -0.212 4.137 4.350 -0.002 0.000 0.195 480 E C 2.348 179.067 176.600 0.198 0.000 0.992 480 E CA 1.404 57.936 56.400 0.221 0.000 0.804 480 E CB -0.357 29.453 29.700 0.183 0.000 0.741 480 E HN 0.531 nan 8.360 nan 0.000 0.458 481 L N 0.292 121.612 121.223 0.160 0.000 2.109 481 L HA -0.081 4.257 4.340 -0.002 0.000 0.207 481 L C 2.596 179.604 176.870 0.230 0.000 1.086 481 L CA 0.768 55.708 54.840 0.167 0.000 0.760 481 L CB -0.200 41.907 42.059 0.079 0.000 0.910 481 L HN 0.034 nan 8.230 nan 0.000 0.437 482 R N -0.894 119.734 120.500 0.213 0.000 2.092 482 R HA -0.128 4.211 4.340 -0.002 0.000 0.231 482 R C 2.320 178.821 176.300 0.336 0.000 1.119 482 R CA 1.504 57.753 56.100 0.248 0.000 0.970 482 R CB -0.721 29.714 30.300 0.225 0.000 0.864 482 R HN 0.404 nan 8.270 nan 0.000 0.440 483 C N 0.770 120.293 119.300 0.372 0.000 2.435 483 C HA -0.042 4.417 4.460 -0.002 0.000 0.279 483 C C 2.567 177.792 174.990 0.391 0.000 1.321 483 C CA 0.118 59.402 59.018 0.443 0.000 1.752 483 C CB -0.868 27.152 27.740 0.467 0.000 1.959 483 C HN 0.401 nan 8.230 nan 0.000 0.500 484 L N 2.025 123.450 121.223 0.338 0.000 2.027 484 L HA 0.047 4.386 4.340 -0.002 0.000 0.206 484 L C 2.597 179.592 176.870 0.209 0.000 1.074 484 L CA 2.307 57.321 54.840 0.289 0.000 0.745 484 L CB -1.234 40.947 42.059 0.203 0.000 0.898 484 L HN 0.245 nan 8.230 nan 0.000 0.433 485 A N -0.831 122.135 122.820 0.243 0.000 1.873 485 A HA -0.373 3.946 4.320 -0.002 0.000 0.218 485 A C 2.316 179.932 177.584 0.053 0.000 1.193 485 A CA 2.150 54.329 52.037 0.237 0.000 0.629 485 A CB -1.338 17.825 19.000 0.272 0.000 0.826 485 A HN 0.770 nan 8.150 nan 0.000 0.447 486 H N -1.469 117.490 119.070 -0.186 0.000 2.289 486 H HA -0.215 4.340 4.556 -0.002 0.000 0.294 486 H C 1.562 176.626 175.328 -0.438 0.000 1.095 486 H CA 2.557 58.267 56.048 -0.565 0.000 1.256 486 H CB -0.447 28.475 29.762 -1.400 0.000 1.359 486 H HN 0.424 nan 8.280 nan 0.000 0.487 487 F N 0.430 120.283 119.950 -0.161 0.000 2.407 487 F HA -0.080 4.446 4.527 -0.003 0.000 0.299 487 F C 2.347 178.137 175.800 -0.017 0.000 1.097 487 F CA 1.200 59.133 58.000 -0.112 0.000 1.422 487 F CB -0.291 38.759 39.000 0.083 0.000 1.067 487 F HN 0.396 nan 8.300 nan 0.000 0.539 488 M N -1.969 117.730 119.600 0.165 0.000 2.428 488 M HA 0.422 4.900 4.480 -0.002 0.000 0.239 488 M C 1.832 178.206 176.300 0.123 0.000 1.121 488 M CA 0.733 56.181 55.300 0.246 0.000 1.019 488 M CB -0.634 32.018 32.600 0.088 0.000 1.485 488 M HN -0.035 nan 8.290 nan 0.000 0.484 489 A N 1.809 124.590 122.820 -0.065 0.000 2.019 489 A HA -0.112 4.207 4.320 -0.002 0.000 0.219 489 A C 2.331 179.794 177.584 -0.202 0.000 1.164 489 A CA 1.473 53.433 52.037 -0.128 0.000 0.644 489 A CB -0.726 18.138 19.000 -0.227 0.000 0.805 489 A HN 0.628 nan 8.150 nan 0.000 0.449 490 R N -1.805 118.478 120.500 -0.361 0.000 2.189 490 R HA -0.049 4.290 4.340 -0.002 0.000 0.223 490 R C 0.783 176.684 176.300 -0.665 0.000 1.092 490 R CA 1.459 57.198 56.100 -0.602 0.000 0.989 490 R CB -0.166 29.590 30.300 -0.907 0.000 0.876 490 R HN 0.578 nan 8.270 nan 0.000 0.457 491 F N -1.039 118.878 119.950 -0.055 0.000 2.717 491 F HA 0.155 4.680 4.527 -0.003 0.000 0.297 491 F C 1.098 176.873 175.800 -0.043 0.000 1.113 491 F CA -0.178 57.794 58.000 -0.047 0.000 1.319 491 F CB 0.474 39.445 39.000 -0.048 0.000 1.097 491 F HN 0.056 nan 8.300 nan 0.000 0.595 492 D N -2.099 118.369 120.400 0.113 0.000 2.503 492 D HA 0.033 4.671 4.640 -0.002 0.000 0.218 492 D C -0.139 176.176 176.300 0.024 0.000 1.183 492 D CA -0.030 54.011 54.000 0.069 0.000 0.827 492 D CB -0.749 40.102 40.800 0.084 0.000 1.034 492 D HN 0.005 nan 8.370 nan 0.000 0.510 493 N N 0.840 119.531 118.700 -0.016 0.000 2.735 493 N HA -0.156 4.583 4.740 -0.002 0.000 0.248 493 N C 1.105 176.600 175.510 -0.024 0.000 1.083 493 N CA 1.259 54.285 53.050 -0.040 0.000 0.703 493 N CB -1.667 36.798 38.487 -0.036 0.000 1.005 493 N HN 0.688 nan 8.380 nan 0.000 0.550 494 G N -0.582 108.215 108.800 -0.005 0.000 2.143 494 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.249 494 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.249 494 G C 0.655 175.608 174.900 0.088 0.000 0.981 494 G CA 0.935 46.052 45.100 0.028 0.000 0.665 494 G HN 0.550 nan 8.290 nan 0.000 0.528 495 E N -1.019 119.237 120.200 0.092 0.000 2.038 495 E HA -0.130 4.218 4.350 -0.002 0.000 0.195 495 E C 1.933 178.635 176.600 0.171 0.000 1.000 495 E CA 1.619 58.092 56.400 0.122 0.000 0.803 495 E CB -0.152 29.608 29.700 0.100 0.000 0.750 495 E HN 0.633 nan 8.360 nan 0.000 0.448 496 Y N 0.262 120.585 120.300 0.038 0.000 2.200 496 Y HA -0.167 4.381 4.550 -0.003 0.000 0.290 496 Y C 2.026 177.944 175.900 0.029 0.000 1.137 496 Y CA 1.499 59.615 58.100 0.026 0.000 1.163 496 Y CB -0.528 37.945 38.460 0.021 0.000 0.988 496 Y HN 0.149 nan 8.280 nan 0.000 0.518 497 A N -0.731 122.190 122.820 0.169 0.000 1.883 497 A HA -0.310 4.008 4.320 -0.002 0.000 0.217 497 A C 2.049 179.661 177.584 0.046 0.000 1.186 497 A CA 2.174 54.268 52.037 0.095 0.000 0.624 497 A CB -1.348 17.708 19.000 0.093 0.000 0.822 497 A HN 0.695 nan 8.150 nan 0.000 0.444 498 H N -0.365 118.699 119.070 -0.009 0.000 2.352 498 H HA -0.150 4.405 4.556 -0.002 0.000 0.299 498 H C 1.949 177.243 175.328 -0.055 0.000 1.097 498 H CA 2.133 58.167 56.048 -0.023 0.000 1.311 498 H CB -0.149 29.605 29.762 -0.014 0.000 1.377 498 H HN 0.513 nan 8.280 nan 0.000 0.504 499 E N 0.165 120.270 120.200 -0.158 0.000 2.153 499 E HA -0.095 4.254 4.350 -0.002 0.000 0.194 499 E C 2.188 178.616 176.600 -0.286 0.000 0.988 499 E CA 1.323 57.574 56.400 -0.249 0.000 0.811 499 E CB -0.313 29.259 29.700 -0.213 0.000 0.746 499 E HN 0.670 nan 8.360 nan 0.000 0.466 500 I N -0.301 120.106 120.570 -0.270 0.000 2.142 500 I HA -0.242 3.927 4.170 -0.002 0.000 0.240 500 I C 1.309 177.325 176.117 -0.169 0.000 1.078 500 I CA 0.875 62.035 61.300 -0.233 0.000 1.343 500 I CB -0.106 37.798 38.000 -0.161 0.000 1.046 500 I HN 0.129 nan 8.210 nan 0.000 0.405 501 L N 0.704 121.839 121.223 -0.147 0.000 2.627 501 L HA 0.082 4.420 4.340 -0.002 0.000 0.232 501 L C 1.202 177.977 176.870 -0.159 0.000 1.150 501 L CA 0.704 55.475 54.840 -0.114 0.000 0.917 501 L CB -0.631 41.392 42.059 -0.060 0.000 1.104 501 L HN 0.269 nan 8.230 nan 0.000 0.445 502 N N -1.665 116.888 118.700 -0.245 0.000 2.357 502 N HA 0.144 4.882 4.740 -0.002 0.000 0.260 502 N C 0.985 176.384 175.510 -0.186 0.000 1.035 502 N CA 0.776 53.677 53.050 -0.248 0.000 0.839 502 N CB 0.474 38.684 38.487 -0.462 0.000 1.723 502 N HN 0.225 nan 8.380 nan 0.000 0.617 503 G N 0.271 108.943 108.800 -0.212 0.000 2.630 503 G HA2 0.418 4.377 3.960 -0.002 0.000 0.223 503 G HA3 0.418 4.377 3.960 -0.002 0.000 0.223 503 G C -0.764 174.069 174.900 -0.111 0.000 1.434 503 G CA 0.494 45.515 45.100 -0.131 0.000 1.057 503 G HN 0.215 nan 8.290 nan 0.000 0.570 504 D N -0.829 119.520 120.400 -0.085 0.000 2.458 504 D HA 0.465 5.104 4.640 -0.002 0.000 0.258 504 D C 1.175 177.414 176.300 -0.101 0.000 1.134 504 D CA -0.561 53.402 54.000 -0.061 0.000 0.915 504 D CB 1.057 41.858 40.800 0.002 0.000 1.028 504 D HN 0.369 nan 8.370 nan 0.000 0.508 505 I N 0.658 121.095 120.570 -0.222 0.000 2.194 505 I HA -0.272 3.896 4.170 -0.002 0.000 0.246 505 I C 2.172 178.189 176.117 -0.168 0.000 1.093 505 I CA 1.875 62.988 61.300 -0.312 0.000 1.355 505 I CB -0.092 37.608 38.000 -0.500 0.000 1.046 505 I HN 0.635 nan 8.210 nan 0.000 0.413 506 H N -0.235 118.822 119.070 -0.021 0.000 2.387 506 H HA -0.096 4.459 4.556 -0.002 0.000 0.299 506 H C 2.212 177.560 175.328 0.034 0.000 1.099 506 H CA 1.989 58.052 56.048 0.025 0.000 1.315 506 H CB -0.899 28.889 29.762 0.042 0.000 1.380 506 H HN 0.369 nan 8.280 nan 0.000 0.513 507 T N 0.525 115.154 114.554 0.126 0.000 2.812 507 T HA -0.091 4.257 4.350 -0.002 0.000 0.264 507 T C 2.487 177.226 174.700 0.065 0.000 1.042 507 T CA 1.988 64.136 62.100 0.079 0.000 1.140 507 T CB -0.135 68.761 68.868 0.047 0.000 0.870 507 T HN 0.551 nan 8.240 nan 0.000 0.445 508 K N 2.477 122.900 120.400 0.038 0.000 2.074 508 K HA -0.157 4.162 4.320 -0.002 0.000 0.209 508 K C 2.022 178.693 176.600 0.119 0.000 1.048 508 K CA 1.795 58.107 56.287 0.042 0.000 0.926 508 K CB -1.149 31.340 32.500 -0.018 0.000 0.713 508 K HN 0.367 nan 8.250 nan 0.000 0.444 509 N N -0.252 118.557 118.700 0.181 0.000 2.331 509 N HA -0.101 4.638 4.740 -0.002 0.000 0.180 509 N C 2.502 178.138 175.510 0.211 0.000 1.019 509 N CA 1.539 54.794 53.050 0.341 0.000 0.881 509 N CB -0.148 38.572 38.487 0.389 0.000 0.972 509 N HN 0.731 nan 8.380 nan 0.000 0.435 510 Q N 0.941 120.817 119.800 0.127 0.000 2.119 510 Q HA -0.000 4.338 4.340 -0.002 0.000 0.201 510 Q C 1.942 177.965 176.000 0.037 0.000 0.972 510 Q CA 0.949 56.787 55.803 0.058 0.000 0.847 510 Q CB -0.484 28.287 28.738 0.055 0.000 0.903 510 Q HN 0.221 nan 8.270 nan 0.000 0.433 511 I N 0.340 120.944 120.570 0.056 0.000 2.584 511 I HA 0.049 4.218 4.170 -0.002 0.000 0.255 511 I C 2.702 178.847 176.117 0.046 0.000 1.145 511 I CA 0.984 62.306 61.300 0.037 0.000 1.462 511 I CB -1.395 36.624 38.000 0.032 0.000 1.102 511 I HN 0.443 nan 8.210 nan 0.000 0.433 512 A N 1.475 124.353 122.820 0.097 0.000 1.834 512 A HA 0.048 4.366 4.320 -0.002 0.000 0.216 512 A C 1.700 179.349 177.584 0.108 0.000 1.203 512 A CA 1.497 53.600 52.037 0.110 0.000 0.621 512 A CB -0.955 18.170 19.000 0.208 0.000 0.841 512 A HN 0.366 nan 8.150 nan 0.000 0.446 513 A N -1.558 121.343 122.820 0.136 0.000 2.287 513 A HA 0.505 4.823 4.320 -0.002 0.000 0.273 513 A C 0.822 178.352 177.584 -0.089 0.000 1.091 513 A CA 0.222 52.220 52.037 -0.065 0.000 0.817 513 A CB 0.300 19.027 19.000 -0.455 0.000 1.069 513 A HN 0.386 nan 8.150 nan 0.000 0.492 514 E N 0.111 120.244 120.200 -0.112 0.000 2.014 514 E HA 0.050 4.399 4.350 -0.002 0.000 0.190 514 E C 0.035 176.583 176.600 -0.087 0.000 0.980 514 E CA 0.702 57.057 56.400 -0.076 0.000 0.807 514 E CB -0.562 29.102 29.700 -0.059 0.000 0.770 514 E HN 0.574 nan 8.360 nan 0.000 0.451 515 L N 2.720 123.869 121.223 -0.124 0.000 4.266 515 L HA -0.178 4.161 4.340 -0.002 0.000 0.561 515 L C -1.999 174.838 176.870 -0.055 0.000 0.996 515 L CA -0.631 54.146 54.840 -0.104 0.000 0.786 515 L CB -1.342 40.621 42.059 -0.160 0.000 0.591 515 L HN 0.167 nan 8.230 nan 0.000 0.996 516 P HA 0.226 nan 4.420 nan 0.000 0.269 516 P C 0.439 177.732 177.300 -0.012 0.000 1.209 516 P CA 0.924 64.013 63.100 -0.018 0.000 0.776 516 P CB 1.035 32.727 31.700 -0.013 0.000 0.876 517 T N -1.103 113.448 114.554 -0.004 0.000 2.591 517 T HA 0.029 4.378 4.350 -0.002 0.000 0.505 517 T C 0.728 175.430 174.700 0.005 0.000 0.818 517 T CA 0.407 62.507 62.100 0.001 0.000 2.679 517 T CB -2.335 66.534 68.868 0.001 0.000 1.740 517 T HN 0.710 nan 8.240 nan 0.000 0.573 518 R N 1.478 121.985 120.500 0.012 0.000 2.808 518 R HA 0.325 4.663 4.340 -0.002 0.000 0.215 518 R C 1.329 177.645 176.300 0.027 0.000 1.569 518 R CA 1.285 57.401 56.100 0.026 0.000 1.396 518 R CB -0.469 29.853 30.300 0.035 0.000 1.048 518 R HN 0.931 nan 8.270 nan 0.000 0.501 519 D N -2.173 118.234 120.400 0.011 0.000 2.502 519 D HA -0.009 4.630 4.640 -0.002 0.000 0.232 519 D C 1.596 177.897 176.300 0.001 0.000 1.137 519 D CA 0.888 54.882 54.000 -0.010 0.000 0.827 519 D CB 0.016 40.809 40.800 -0.013 0.000 1.141 519 D HN 0.505 nan 8.370 nan 0.000 0.517 520 N N 0.682 119.393 118.700 0.018 0.000 2.409 520 N HA 0.065 4.804 4.740 -0.002 0.000 0.179 520 N C 1.996 177.554 175.510 0.079 0.000 1.032 520 N CA 1.138 54.209 53.050 0.036 0.000 0.898 520 N CB -0.447 38.051 38.487 0.017 0.000 0.971 520 N HN 0.212 nan 8.380 nan 0.000 0.441 521 A N 0.520 123.382 122.820 0.071 0.000 1.933 521 A HA 0.121 4.440 4.320 -0.002 0.000 0.218 521 A C 2.594 180.289 177.584 0.184 0.000 1.175 521 A CA 2.472 54.593 52.037 0.140 0.000 0.628 521 A CB -0.866 18.201 19.000 0.112 0.000 0.814 521 A HN 0.778 nan 8.150 nan 0.000 0.444 522 K N -1.140 119.307 120.400 0.078 0.000 2.057 522 K HA -0.032 4.287 4.320 -0.002 0.000 0.206 522 K C 2.338 179.042 176.600 0.175 0.000 1.050 522 K CA 2.451 58.756 56.287 0.030 0.000 0.935 522 K CB -2.152 30.203 32.500 -0.242 0.000 0.715 522 K HN 0.698 nan 8.250 nan 0.000 0.439 523 T N -0.098 114.530 114.554 0.124 0.000 2.708 523 T HA 0.006 4.354 4.350 -0.002 0.000 0.266 523 T C 1.902 176.688 174.700 0.144 0.000 1.037 523 T CA 1.787 63.963 62.100 0.128 0.000 1.146 523 T CB -0.436 68.486 68.868 0.091 0.000 0.865 523 T HN 0.398 nan 8.240 nan 0.000 0.435 524 F N 1.389 121.339 119.950 -0.001 0.000 2.069 524 F HA -0.050 4.476 4.527 -0.002 0.000 0.298 524 F C 2.032 177.792 175.800 -0.067 0.000 1.113 524 F CA 1.368 59.337 58.000 -0.052 0.000 1.214 524 F CB -0.619 38.301 39.000 -0.134 0.000 0.978 524 F HN 0.205 nan 8.300 nan 0.000 0.474 525 I N -0.028 120.338 120.570 -0.339 0.000 2.076 525 I HA -0.329 3.840 4.170 -0.002 0.000 0.237 525 I C 2.143 178.048 176.117 -0.353 0.000 1.059 525 I CA 1.853 62.867 61.300 -0.475 0.000 1.317 525 I CB -1.086 36.735 38.000 -0.298 0.000 1.037 525 I HN 0.225 nan 8.210 nan 0.000 0.398 526 Y N 0.790 121.012 120.300 -0.131 0.000 2.384 526 Y HA -0.131 4.418 4.550 -0.002 0.000 0.289 526 Y C 2.487 178.258 175.900 -0.214 0.000 1.152 526 Y CA 1.342 59.316 58.100 -0.211 0.000 1.258 526 Y CB -1.248 37.098 38.460 -0.190 0.000 0.979 526 Y HN 0.282 nan 8.280 nan 0.000 0.549 527 G N -1.116 107.659 108.800 -0.041 0.000 2.395 527 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.214 527 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.214 527 G C 1.530 176.375 174.900 -0.090 0.000 1.177 527 G CA 0.449 45.530 45.100 -0.032 0.000 0.794 527 G HN 0.440 nan 8.290 nan 0.000 0.532 528 F N 1.197 120.897 119.950 -0.416 0.000 2.250 528 F HA 0.046 4.572 4.527 -0.001 0.000 0.301 528 F C 2.154 177.839 175.800 -0.192 0.000 1.077 528 F CA 1.060 58.812 58.000 -0.413 0.000 1.348 528 F CB 0.080 38.606 39.000 -0.791 0.000 1.040 528 F HN 0.039 nan 8.300 nan 0.000 0.509 529 L N -1.403 119.770 121.223 -0.083 0.000 2.168 529 L HA -0.091 4.248 4.340 -0.002 0.000 0.203 529 L C 0.822 177.759 176.870 0.113 0.000 1.078 529 L CA 0.510 55.329 54.840 -0.035 0.000 0.780 529 L CB -0.612 41.421 42.059 -0.043 0.000 0.939 529 L HN -0.001 nan 8.230 nan 0.000 0.451 530 Y N 0.813 121.092 120.300 -0.036 0.000 2.826 530 Y HA 0.206 4.755 4.550 -0.002 0.000 0.371 530 Y C 1.546 177.408 175.900 -0.063 0.000 1.252 530 Y CA -0.374 57.709 58.100 -0.030 0.000 1.813 530 Y CB -0.179 38.288 38.460 0.012 0.000 1.913 530 Y HN 0.351 nan 8.280 nan 0.000 0.447 531 G N 1.791 110.609 108.800 0.031 0.000 3.581 531 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.336 531 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.336 531 G C 0.490 175.363 174.900 -0.046 0.000 1.259 531 G CA 0.373 45.452 45.100 -0.036 0.000 1.001 531 G HN 1.461 nan 8.290 nan 0.000 0.662 532 A N -2.144 120.679 122.820 0.005 0.000 6.848 532 A HA 0.460 4.779 4.320 -0.002 0.000 0.247 532 A C 1.281 178.872 177.584 0.012 0.000 2.199 532 A CA 1.747 53.794 52.037 0.016 0.000 0.681 532 A CB -1.182 17.824 19.000 0.011 0.000 1.069 532 A HN 2.864 nan 8.150 nan 0.000 0.381 533 G N -2.106 106.715 108.800 0.035 0.000 2.672 533 G HA2 0.589 4.548 3.960 -0.002 0.000 0.292 533 G HA3 0.589 4.548 3.960 -0.002 0.000 0.292 533 G C -0.148 174.791 174.900 0.066 0.000 1.375 533 G CA 0.539 45.664 45.100 0.041 0.000 0.890 533 G HN 0.818 nan 8.290 nan 0.000 0.476 534 D N 0.063 120.504 120.400 0.068 0.000 2.116 534 D HA -0.047 4.591 4.640 -0.002 0.000 0.193 534 D C 2.589 178.933 176.300 0.075 0.000 0.998 534 D CA 2.433 56.482 54.000 0.082 0.000 0.836 534 D CB 0.066 40.906 40.800 0.067 0.000 0.951 534 D HN 0.633 nan 8.370 nan 0.000 0.449 535 E N 0.888 121.124 120.200 0.059 0.000 2.023 535 E HA -0.232 4.117 4.350 -0.002 0.000 0.196 535 E C 2.178 178.814 176.600 0.060 0.000 1.003 535 E CA 2.375 58.808 56.400 0.054 0.000 0.809 535 E CB -1.416 28.312 29.700 0.047 0.000 0.755 535 E HN 0.477 nan 8.360 nan 0.000 0.449 536 K N -0.113 120.324 120.400 0.062 0.000 2.211 536 K HA 0.257 4.576 4.320 -0.002 0.000 0.203 536 K C 2.600 179.254 176.600 0.089 0.000 1.050 536 K CA 2.175 58.501 56.287 0.066 0.000 0.945 536 K CB -1.527 31.009 32.500 0.059 0.000 0.732 536 K HN 1.096 nan 8.250 nan 0.000 0.451 537 I N 0.675 121.311 120.570 0.111 0.000 2.163 537 I HA 0.121 4.289 4.170 -0.002 0.000 0.240 537 I C 2.845 179.046 176.117 0.139 0.000 1.081 537 I CA 2.237 63.643 61.300 0.176 0.000 1.353 537 I CB -1.586 36.550 38.000 0.226 0.000 1.054 537 I HN 0.449 nan 8.210 nan 0.000 0.407 538 G N -0.680 108.176 108.800 0.094 0.000 2.484 538 G HA2 0.044 4.003 3.960 -0.002 0.000 0.218 538 G HA3 0.044 4.003 3.960 -0.002 0.000 0.218 538 G C 1.594 176.523 174.900 0.049 0.000 1.130 538 G CA 1.292 46.427 45.100 0.057 0.000 0.784 538 G HN 1.114 nan 8.290 nan 0.000 0.543 539 Q N 0.338 120.172 119.800 0.057 0.000 2.541 539 Q HA 0.287 4.626 4.340 -0.002 0.000 0.215 539 Q C 2.150 178.179 176.000 0.048 0.000 0.977 539 Q CA 0.919 56.750 55.803 0.048 0.000 0.934 539 Q CB -0.641 28.126 28.738 0.049 0.000 0.988 539 Q HN 0.679 nan 8.270 nan 0.000 0.521 540 I N -0.883 119.721 120.570 0.058 0.000 2.339 540 I HA -0.027 4.142 4.170 -0.002 0.000 0.245 540 I C 2.688 178.824 176.117 0.032 0.000 1.096 540 I CA 1.087 62.420 61.300 0.056 0.000 1.408 540 I CB -0.086 37.967 38.000 0.089 0.000 1.092 540 I HN 0.349 nan 8.210 nan 0.000 0.423 541 V N 0.490 120.416 119.914 0.020 0.000 2.300 541 V HA 0.275 4.394 4.120 -0.002 0.000 0.241 541 V C 1.434 177.534 176.094 0.010 0.000 1.034 541 V CA 2.207 64.510 62.300 0.005 0.000 1.021 541 V CB -0.749 31.067 31.823 -0.011 0.000 0.662 541 V HN 0.412 nan 8.190 nan 0.000 0.458 542 G N -3.076 105.733 108.800 0.015 0.000 3.008 542 G HA2 0.525 4.484 3.960 -0.002 0.000 0.148 542 G HA3 0.525 4.484 3.960 -0.002 0.000 0.148 542 G C 0.892 175.805 174.900 0.022 0.000 1.184 542 G CA 0.519 45.629 45.100 0.016 0.000 1.087 542 G HN 0.885 nan 8.290 nan 0.000 0.602 543 A N -0.055 122.777 122.820 0.021 0.000 1.832 543 A HA 0.389 4.708 4.320 -0.002 0.000 0.214 543 A C 2.235 179.835 177.584 0.027 0.000 1.204 543 A CA 2.059 54.111 52.037 0.025 0.000 0.606 543 A CB -1.478 17.536 19.000 0.023 0.000 0.849 543 A HN 2.234 nan 8.150 nan 0.000 0.445 544 G N 0.271 109.085 108.800 0.023 0.000 1.987 544 G HA2 0.035 3.993 3.960 -0.002 0.000 0.243 544 G HA3 0.035 3.993 3.960 -0.002 0.000 0.243 544 G C 0.783 175.702 174.900 0.033 0.000 0.644 544 G CA 1.526 46.641 45.100 0.025 0.000 0.962 544 G HN 0.971 nan 8.290 nan 0.000 0.387 545 K N 0.423 120.844 120.400 0.035 0.000 1.993 545 K HA 0.273 4.591 4.320 -0.002 0.000 0.220 545 K C 2.480 179.107 176.600 0.044 0.000 1.014 545 K CA 2.122 58.433 56.287 0.041 0.000 1.028 545 K CB -1.364 31.159 32.500 0.038 0.000 0.862 545 K HN 1.060 nan 8.250 nan 0.000 0.446 546 E N 0.162 120.386 120.200 0.040 0.000 2.204 546 E HA -0.100 4.249 4.350 -0.002 0.000 0.195 546 E C 2.378 179.001 176.600 0.039 0.000 0.990 546 E CA 2.179 58.603 56.400 0.040 0.000 0.821 546 E CB -1.229 28.491 29.700 0.033 0.000 0.750 546 E HN 0.739 nan 8.360 nan 0.000 0.477 547 R N 0.421 120.941 120.500 0.033 0.000 2.241 547 R HA 0.167 4.506 4.340 -0.002 0.000 0.224 547 R C 2.718 179.036 176.300 0.032 0.000 1.101 547 R CA 1.443 57.560 56.100 0.028 0.000 0.995 547 R CB -1.444 28.870 30.300 0.022 0.000 0.870 547 R HN 0.610 nan 8.270 nan 0.000 0.463 548 G N -0.124 108.701 108.800 0.041 0.000 2.598 548 G HA2 0.023 3.982 3.960 -0.002 0.000 0.215 548 G HA3 0.023 3.982 3.960 -0.002 0.000 0.215 548 G C 1.896 176.835 174.900 0.065 0.000 1.131 548 G CA 1.067 46.196 45.100 0.048 0.000 0.785 548 G HN 0.745 nan 8.290 nan 0.000 0.539 549 K N 0.182 120.621 120.400 0.066 0.000 2.103 549 K HA 0.005 4.324 4.320 -0.002 0.000 0.207 549 K C 2.349 178.992 176.600 0.072 0.000 1.048 549 K CA 2.101 58.435 56.287 0.079 0.000 0.930 549 K CB -1.313 31.223 32.500 0.061 0.000 0.716 549 K HN 0.576 nan 8.250 nan 0.000 0.444 550 E N 0.217 120.445 120.200 0.046 0.000 2.097 550 E HA 0.040 4.389 4.350 -0.002 0.000 0.196 550 E C 2.594 179.212 176.600 0.031 0.000 1.000 550 E CA 2.403 58.822 56.400 0.033 0.000 0.804 550 E CB -1.459 28.252 29.700 0.018 0.000 0.740 550 E HN 1.040 nan 8.360 nan 0.000 0.454 551 L N 0.164 121.398 121.223 0.018 0.000 2.093 551 L HA 0.370 4.709 4.340 -0.002 0.000 0.208 551 L C 2.952 179.833 176.870 0.019 0.000 1.085 551 L CA 2.729 57.550 54.840 -0.031 0.000 0.755 551 L CB -1.957 40.046 42.059 -0.092 0.000 0.904 551 L HN 0.714 nan 8.230 nan 0.000 0.435 552 K N 0.220 120.700 120.400 0.133 0.000 2.569 552 K HA 0.394 4.713 4.320 -0.002 0.000 0.193 552 K C 2.034 178.784 176.600 0.250 0.000 1.026 552 K CA 1.301 57.762 56.287 0.291 0.000 1.093 552 K CB -1.232 31.466 32.500 0.330 0.000 0.849 552 K HN 0.892 nan 8.250 nan 0.000 0.509 553 K N -0.315 120.176 120.400 0.152 0.000 2.367 553 K HA 0.297 4.615 4.320 -0.002 0.000 0.198 553 K C 2.578 179.227 176.600 0.082 0.000 1.132 553 K CA 1.037 57.390 56.287 0.109 0.000 0.941 553 K CB -0.707 31.833 32.500 0.067 0.000 1.052 553 K HN 0.510 nan 8.250 nan 0.000 0.507 554 K N 0.467 120.908 120.400 0.068 0.000 2.057 554 K HA 0.080 4.399 4.320 -0.002 0.000 0.206 554 K C 2.006 178.645 176.600 0.065 0.000 1.050 554 K CA 1.544 57.855 56.287 0.040 0.000 0.935 554 K CB -0.978 31.529 32.500 0.013 0.000 0.715 554 K HN 0.449 nan 8.250 nan 0.000 0.439 555 F N 1.443 121.361 119.950 -0.055 0.000 2.010 555 F HA -0.068 4.458 4.527 -0.002 0.000 0.296 555 F C 2.018 177.794 175.800 -0.040 0.000 1.146 555 F CA 1.791 59.762 58.000 -0.049 0.000 1.181 555 F CB -0.470 38.534 39.000 0.007 0.000 0.965 555 F HN 0.058 nan 8.300 nan 0.000 0.480 556 L N 0.191 121.388 121.223 -0.044 0.000 2.447 556 L HA -0.165 4.173 4.340 -0.002 0.000 0.225 556 L C 2.597 179.374 176.870 -0.154 0.000 1.148 556 L CA 1.333 56.073 54.840 -0.166 0.000 0.808 556 L CB -1.534 40.554 42.059 0.049 0.000 0.928 556 L HN 0.489 nan 8.230 nan 0.000 0.448 557 E N 0.059 120.201 120.200 -0.098 0.000 2.122 557 E HA -0.093 4.256 4.350 -0.002 0.000 0.190 557 E C 1.681 178.215 176.600 -0.110 0.000 0.977 557 E CA 0.893 57.246 56.400 -0.079 0.000 0.820 557 E CB -0.378 29.301 29.700 -0.035 0.000 0.770 557 E HN 0.503 nan 8.360 nan 0.000 0.462 558 N N 0.324 118.941 118.700 -0.139 0.000 2.383 558 N HA 0.008 4.747 4.740 -0.002 0.000 0.192 558 N C -0.253 175.136 175.510 -0.202 0.000 1.141 558 N CA 0.739 53.711 53.050 -0.131 0.000 0.851 558 N CB 1.141 39.580 38.487 -0.081 0.000 0.976 558 N HN 0.308 nan 8.380 nan 0.000 0.465 559 T N 0.884 115.247 114.554 -0.318 0.000 3.734 559 T HA 0.155 4.503 4.350 -0.002 0.000 0.238 559 T C -1.895 172.624 174.700 -0.301 0.000 1.205 559 T CA -0.859 61.022 62.100 -0.366 0.000 1.606 559 T CB 1.872 70.308 68.868 -0.720 0.000 0.832 559 T HN 0.003 nan 8.240 nan 0.000 0.655 560 P HA -0.197 nan 4.420 nan 0.000 0.218 560 P C 1.586 178.769 177.300 -0.196 0.000 1.146 560 P CA 1.015 64.016 63.100 -0.165 0.000 0.820 560 P CB 0.181 31.815 31.700 -0.110 0.000 0.778 561 A N 0.191 122.903 122.820 -0.179 0.000 1.902 561 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 561 A C 2.354 179.775 177.584 -0.270 0.000 1.181 561 A CA 1.351 53.282 52.037 -0.178 0.000 0.623 561 A CB -1.437 17.529 19.000 -0.055 0.000 0.818 561 A HN 0.161 nan 8.150 nan 0.000 0.443 562 I N -0.385 120.033 120.570 -0.253 0.000 2.361 562 I HA -0.251 3.918 4.170 -0.002 0.000 0.251 562 I C 2.855 178.873 176.117 -0.165 0.000 1.133 562 I CA 0.921 62.110 61.300 -0.185 0.000 1.413 562 I CB -0.303 37.593 38.000 -0.174 0.000 1.073 562 I HN 0.374 nan 8.210 nan 0.000 0.424 563 A N 0.798 123.499 122.820 -0.199 0.000 1.897 563 A HA -0.031 4.288 4.320 -0.002 0.000 0.215 563 A C 2.580 180.002 177.584 -0.268 0.000 1.181 563 A CA 1.453 53.389 52.037 -0.169 0.000 0.620 563 A CB -0.671 18.245 19.000 -0.141 0.000 0.821 563 A HN 0.384 nan 8.150 nan 0.000 0.443 564 A N -0.232 122.327 122.820 -0.435 0.000 1.877 564 A HA -0.069 4.250 4.320 -0.002 0.000 0.216 564 A C 2.124 179.194 177.584 -0.857 0.000 1.186 564 A CA 1.799 53.411 52.037 -0.708 0.000 0.620 564 A CB -0.711 17.634 19.000 -1.092 0.000 0.822 564 A HN 0.669 nan 8.150 nan 0.000 0.443 565 L N 0.117 120.832 121.223 -0.847 0.000 1.989 565 L HA -0.200 4.139 4.340 -0.002 0.000 0.211 565 L C 2.493 179.262 176.870 -0.168 0.000 1.071 565 L CA 2.213 56.835 54.840 -0.363 0.000 0.749 565 L CB -0.726 41.279 42.059 -0.089 0.000 0.890 565 L HN 0.393 nan 8.230 nan 0.000 0.431 566 R N -0.396 120.014 120.500 -0.150 0.000 2.083 566 R HA -0.184 4.154 4.340 -0.002 0.000 0.237 566 R C 2.285 178.527 176.300 -0.096 0.000 1.137 566 R CA 1.799 57.844 56.100 -0.090 0.000 0.951 566 R CB -0.977 29.287 30.300 -0.059 0.000 0.851 566 R HN 0.638 nan 8.270 nan 0.000 0.434 567 E N 1.275 121.399 120.200 -0.127 0.000 2.058 567 E HA -0.234 4.114 4.350 -0.002 0.000 0.194 567 E C 1.922 178.479 176.600 -0.071 0.000 0.997 567 E CA 1.839 58.178 56.400 -0.102 0.000 0.801 567 E CB -0.840 28.790 29.700 -0.117 0.000 0.746 567 E HN 0.593 nan 8.360 nan 0.000 0.450 568 S N 0.561 116.225 115.700 -0.060 0.000 2.356 568 S HA -0.115 4.354 4.470 -0.002 0.000 0.223 568 S C 2.246 176.846 174.600 -0.000 0.000 1.032 568 S CA 1.371 59.583 58.200 0.020 0.000 1.005 568 S CB -0.542 62.758 63.200 0.166 0.000 0.867 568 S HN 0.558 nan 8.310 nan 0.000 0.449 569 I N 1.642 122.200 120.570 -0.020 0.000 2.208 569 I HA -0.211 3.957 4.170 -0.002 0.000 0.245 569 I C 3.116 179.208 176.117 -0.043 0.000 1.097 569 I CA 1.435 62.712 61.300 -0.037 0.000 1.363 569 I CB -0.518 37.449 38.000 -0.055 0.000 1.051 569 I HN 0.328 nan 8.210 nan 0.000 0.413 570 Q N 0.537 120.304 119.800 -0.054 0.000 2.030 570 Q HA -0.295 4.044 4.340 -0.002 0.000 0.204 570 Q C 2.543 178.503 176.000 -0.066 0.000 0.986 570 Q CA 2.598 58.359 55.803 -0.070 0.000 0.843 570 Q CB -0.788 27.901 28.738 -0.082 0.000 0.904 570 Q HN 0.733 nan 8.270 nan 0.000 0.420 571 Q N 0.273 120.041 119.800 -0.052 0.000 2.197 571 Q HA -0.160 4.179 4.340 -0.002 0.000 0.207 571 Q C 2.069 178.041 176.000 -0.047 0.000 0.984 571 Q CA 2.052 57.828 55.803 -0.045 0.000 0.869 571 Q CB -1.298 27.424 28.738 -0.027 0.000 0.906 571 Q HN 0.474 nan 8.270 nan 0.000 0.426 572 T N 0.142 114.667 114.554 -0.048 0.000 2.857 572 T HA 0.058 4.406 4.350 -0.002 0.000 0.266 572 T C 1.866 176.521 174.700 -0.076 0.000 1.048 572 T CA 1.381 63.440 62.100 -0.068 0.000 1.139 572 T CB -0.123 68.703 68.868 -0.070 0.000 0.874 572 T HN 0.540 nan 8.240 nan 0.000 0.455 573 L N -0.050 121.153 121.223 -0.034 0.000 2.356 573 L HA 0.265 4.604 4.340 -0.002 0.000 0.193 573 L C 0.661 177.553 176.870 0.036 0.000 1.087 573 L CA 0.084 54.957 54.840 0.056 0.000 0.817 573 L CB -0.205 41.956 42.059 0.169 0.000 1.035 573 L HN -0.029 nan 8.230 nan 0.000 0.482 574 V N 0.477 120.328 119.914 -0.106 0.000 2.686 574 V HA 0.277 4.396 4.120 -0.002 0.000 0.295 574 V C -0.154 175.863 176.094 -0.128 0.000 1.057 574 V CA -0.307 61.865 62.300 -0.214 0.000 1.012 574 V CB 1.386 33.024 31.823 -0.307 0.000 1.006 574 V HN 0.329 nan 8.190 nan 0.000 0.477 588 W N 1.765 123.049 121.300 -0.026 0.000 2.639 588 W HA 0.623 5.282 4.660 -0.002 0.000 0.347 588 W C 1.498 177.985 176.519 -0.054 0.000 1.067 588 W CA -0.844 56.472 57.345 -0.047 0.000 1.218 588 W CB 2.202 31.631 29.460 -0.051 0.000 1.393 588 W HN 0.804 nan 8.180 nan 0.000 0.557 589 K N 0.508 121.004 120.400 0.160 0.000 2.242 589 K HA 0.197 4.516 4.320 -0.002 0.000 0.200 589 K C 0.224 176.823 176.600 -0.001 0.000 1.050 589 K CA 0.740 57.056 56.287 0.048 0.000 0.981 589 K CB 0.374 32.870 32.500 -0.007 0.000 0.795 589 K HN 0.485 nan 8.250 nan 0.000 0.477 590 R N -0.375 120.120 120.500 -0.009 0.000 2.594 590 R HA 0.178 4.517 4.340 -0.002 0.000 0.265 590 R C -0.685 175.519 176.300 -0.161 0.000 1.070 590 R CA -0.558 55.400 56.100 -0.236 0.000 0.909 590 R CB 1.285 31.257 30.300 -0.546 0.000 1.243 590 R HN -0.149 nan 8.270 nan 0.000 0.455 591 R N 3.270 123.605 120.500 -0.274 0.000 2.359 591 R HA 0.217 4.556 4.340 -0.002 0.000 0.231 591 R C -0.888 175.283 176.300 -0.215 0.000 0.913 591 R CA 0.237 56.085 56.100 -0.420 0.000 1.075 591 R CB 0.379 30.394 30.300 -0.474 0.000 1.087 591 R HN 0.490 nan 8.270 nan 0.000 0.515 592 W N -0.878 120.341 121.300 -0.135 0.000 3.032 592 W HA 0.528 5.187 4.660 -0.002 0.000 0.341 592 W C -1.085 175.411 176.519 -0.038 0.000 1.202 592 W CA -1.152 56.134 57.345 -0.099 0.000 1.132 592 W CB 0.512 29.935 29.460 -0.062 0.000 1.465 592 W HN -0.390 nan 8.180 nan 0.000 0.576 593 I N 1.842 122.633 120.570 0.368 0.000 2.693 593 I HA 0.308 4.476 4.170 -0.002 0.000 0.303 593 I C -0.130 176.243 176.117 0.427 0.000 1.025 593 I CA -1.346 60.103 61.300 0.248 0.000 1.086 593 I CB 2.088 40.150 38.000 0.102 0.000 1.268 593 I HN 0.412 nan 8.210 nan 0.000 0.440 594 K N 2.982 123.585 120.400 0.338 0.000 2.267 594 K HA 0.478 4.797 4.320 -0.002 0.000 0.282 594 K C 0.222 176.926 176.600 0.173 0.000 1.078 594 K CA -0.290 56.188 56.287 0.318 0.000 0.903 594 K CB 0.848 33.542 32.500 0.323 0.000 1.111 594 K HN 0.859 nan 8.250 nan 0.000 0.475 595 G N 2.787 111.667 108.800 0.134 0.000 2.651 595 G HA2 0.057 4.016 3.960 -0.002 0.000 0.260 595 G HA3 0.057 4.016 3.960 -0.002 0.000 0.260 595 G C 0.928 175.810 174.900 -0.031 0.000 1.216 595 G CA -0.630 44.513 45.100 0.071 0.000 0.913 595 G HN 0.727 nan 8.290 nan 0.000 0.535 596 L N -0.308 120.793 121.223 -0.204 0.000 2.261 596 L HA -0.057 4.281 4.340 -0.002 0.000 0.216 596 L C 1.726 178.188 176.870 -0.679 0.000 1.114 596 L CA 1.548 56.002 54.840 -0.642 0.000 0.777 596 L CB -0.261 41.027 42.059 -1.284 0.000 0.910 596 L HN 0.716 nan 8.230 nan 0.000 0.440 597 D N -1.879 118.383 120.400 -0.229 0.000 2.424 597 D HA 0.197 4.836 4.640 -0.002 0.000 0.220 597 D C 1.313 177.674 176.300 0.102 0.000 1.150 597 D CA 0.446 54.518 54.000 0.119 0.000 0.831 597 D CB 0.572 41.571 40.800 0.331 0.000 0.981 597 D HN 0.152 nan 8.370 nan 0.000 0.500 598 G N 1.166 109.990 108.800 0.040 0.000 2.284 598 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.247 598 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.247 598 G C 0.575 175.528 174.900 0.088 0.000 1.012 598 G CA 0.086 45.204 45.100 0.031 0.000 0.618 598 G HN 0.697 nan 8.290 nan 0.000 0.521 599 R N 1.273 121.843 120.500 0.116 0.000 2.861 599 R HA 0.347 4.686 4.340 -0.002 0.000 0.268 599 R C -0.185 176.120 176.300 0.008 0.000 1.027 599 R CA 0.293 56.483 56.100 0.150 0.000 1.163 599 R CB 0.388 30.859 30.300 0.284 0.000 1.060 599 R HN 0.316 nan 8.270 nan 0.000 0.483 600 K N 1.019 121.259 120.400 -0.265 0.000 2.174 600 K HA 0.288 4.607 4.320 -0.002 0.000 0.275 600 K C -0.842 175.727 176.600 -0.053 0.000 1.015 600 K CA -0.648 55.351 56.287 -0.479 0.000 0.933 600 K CB 1.741 33.523 32.500 -1.197 0.000 1.025 600 K HN 0.327 nan 8.250 nan 0.000 0.463 601 V N 3.320 123.310 119.914 0.127 0.000 2.340 601 V HA 0.038 4.157 4.120 -0.002 0.000 0.277 601 V C -0.439 175.773 176.094 0.197 0.000 1.017 601 V CA -0.871 61.520 62.300 0.152 0.000 0.820 601 V CB 0.449 32.357 31.823 0.141 0.000 1.028 601 V HN 0.762 nan 8.190 nan 0.000 0.436 602 H N 3.705 122.829 119.070 0.090 0.000 3.140 602 H HA 0.125 4.679 4.556 -0.002 0.000 0.316 602 H C -0.402 174.958 175.328 0.052 0.000 0.986 602 H CA 0.789 56.880 56.048 0.072 0.000 1.397 602 H CB 0.720 30.494 29.762 0.020 0.000 1.377 602 H HN 0.382 nan 8.280 nan 0.000 0.585 603 V N 8.138 127.732 119.914 -0.534 0.000 2.328 603 V HA 0.167 4.286 4.120 -0.002 0.000 0.278 603 V C 1.246 177.065 176.094 -0.460 0.000 1.021 603 V CA -0.393 61.719 62.300 -0.313 0.000 0.838 603 V CB 1.151 32.911 31.823 -0.106 0.000 0.999 603 V HN 0.893 nan 8.190 nan 0.000 0.447 604 R N 2.496 122.901 120.500 -0.157 0.000 2.075 604 R HA -0.027 4.312 4.340 -0.002 0.000 0.230 604 R C 0.753 177.120 176.300 0.112 0.000 1.140 604 R CA 1.547 57.644 56.100 -0.005 0.000 0.928 604 R CB -0.001 30.351 30.300 0.087 0.000 0.834 604 R HN 0.745 nan 8.270 nan 0.000 0.429 605 S N -0.744 115.047 115.700 0.152 0.000 2.538 605 S HA 0.340 4.809 4.470 -0.002 0.000 0.288 605 S C -2.412 172.298 174.600 0.182 0.000 1.108 605 S CA -1.634 56.697 58.200 0.219 0.000 0.971 605 S CB 2.470 65.738 63.200 0.114 0.000 1.041 605 S HN -0.199 nan 8.310 nan 0.000 0.483 606 P HA -0.130 nan 4.420 nan 0.000 0.218 606 P C 1.804 179.091 177.300 -0.022 0.000 1.146 606 P CA 2.398 65.492 63.100 -0.009 0.000 0.820 606 P CB -0.286 31.265 31.700 -0.249 0.000 0.778 607 H N -1.012 118.049 119.070 -0.016 0.000 2.423 607 H HA 0.316 4.870 4.556 -0.002 0.000 0.297 607 H C 1.880 177.191 175.328 -0.029 0.000 1.075 607 H CA 1.406 57.437 56.048 -0.029 0.000 1.342 607 H CB -0.949 28.800 29.762 -0.022 0.000 1.395 607 H HN 0.254 nan 8.280 nan 0.000 0.530 608 A N 0.066 122.883 122.820 -0.005 0.000 2.460 608 A HA 0.665 4.984 4.320 -0.002 0.000 0.258 608 A C 2.512 180.093 177.584 -0.006 0.000 1.300 608 A CA 0.967 52.995 52.037 -0.014 0.000 0.913 608 A CB -0.658 18.341 19.000 -0.001 0.000 1.031 608 A HN 0.905 nan 8.150 nan 0.000 0.512 609 A N 0.234 123.055 122.820 0.001 0.000 1.883 609 A HA -0.119 4.199 4.320 -0.002 0.000 0.217 609 A C 1.993 179.561 177.584 -0.027 0.000 1.186 609 A CA 1.832 53.870 52.037 0.002 0.000 0.624 609 A CB -0.571 18.435 19.000 0.010 0.000 0.822 609 A HN 0.871 nan 8.150 nan 0.000 0.444 610 L N 0.903 122.101 121.223 -0.043 0.000 2.079 610 L HA -0.200 4.139 4.340 -0.002 0.000 0.210 610 L C 2.082 178.937 176.870 -0.025 0.000 1.081 610 L CA 2.571 57.381 54.840 -0.051 0.000 0.752 610 L CB -0.872 41.161 42.059 -0.043 0.000 0.896 610 L HN 0.577 nan 8.230 nan 0.000 0.433 611 N N -1.146 117.542 118.700 -0.021 0.000 2.084 611 N HA -0.199 4.539 4.740 -0.002 0.000 0.190 611 N C 1.627 177.158 175.510 0.036 0.000 1.030 611 N CA 2.071 55.130 53.050 0.015 0.000 0.849 611 N CB -0.125 38.359 38.487 -0.005 0.000 1.012 611 N HN 0.444 nan 8.380 nan 0.000 0.423 612 T N 1.945 116.510 114.554 0.019 0.000 2.684 612 T HA -0.143 4.206 4.350 -0.002 0.000 0.267 612 T C 1.958 176.683 174.700 0.041 0.000 1.036 612 T CA 1.121 63.241 62.100 0.033 0.000 1.148 612 T CB -0.362 68.523 68.868 0.029 0.000 0.863 612 T HN 0.193 nan 8.240 nan 0.000 0.436 613 L N 0.934 122.155 121.223 -0.004 0.000 1.989 613 L HA -0.052 4.286 4.340 -0.002 0.000 0.211 613 L C 2.201 179.096 176.870 0.042 0.000 1.071 613 L CA 1.723 56.528 54.840 -0.058 0.000 0.749 613 L CB -0.635 41.279 42.059 -0.242 0.000 0.890 613 L HN 0.260 nan 8.230 nan 0.000 0.431 614 L N -0.977 120.299 121.223 0.088 0.000 2.017 614 L HA -0.241 4.098 4.340 -0.002 0.000 0.208 614 L C 2.715 179.730 176.870 0.241 0.000 1.073 614 L CA 1.846 56.825 54.840 0.232 0.000 0.745 614 L CB -0.814 41.378 42.059 0.221 0.000 0.894 614 L HN 0.483 nan 8.230 nan 0.000 0.432 615 Q N -0.345 119.564 119.800 0.182 0.000 2.084 615 Q HA -0.244 4.095 4.340 -0.002 0.000 0.202 615 Q C 2.420 178.524 176.000 0.174 0.000 0.978 615 Q CA 2.067 57.971 55.803 0.168 0.000 0.844 615 Q CB -0.031 28.761 28.738 0.089 0.000 0.898 615 Q HN 0.360 nan 8.270 nan 0.000 0.426 616 S N -0.616 115.178 115.700 0.156 0.000 2.382 616 S HA -0.142 4.327 4.470 -0.002 0.000 0.228 616 S C 1.806 176.521 174.600 0.191 0.000 1.027 616 S CA 1.087 59.383 58.200 0.160 0.000 0.991 616 S CB -0.241 63.037 63.200 0.130 0.000 0.823 616 S HN 0.529 nan 8.310 nan 0.000 0.469 617 A N 1.009 123.973 122.820 0.240 0.000 1.841 617 A HA 0.172 4.490 4.320 -0.002 0.000 0.214 617 A C 2.409 180.128 177.584 0.225 0.000 1.195 617 A CA 1.693 53.891 52.037 0.269 0.000 0.611 617 A CB -1.770 17.529 19.000 0.500 0.000 0.835 617 A HN 0.610 nan 8.150 nan 0.000 0.443 618 G N -0.399 108.551 108.800 0.252 0.000 2.469 618 G HA2 -0.069 3.890 3.960 -0.002 0.000 0.219 618 G HA3 -0.069 3.890 3.960 -0.002 0.000 0.219 618 G C 1.733 176.801 174.900 0.280 0.000 1.150 618 G CA 1.857 47.099 45.100 0.238 0.000 0.763 618 G HN 0.827 nan 8.290 nan 0.000 0.561 619 A N 0.919 123.909 122.820 0.282 0.000 1.841 619 A HA 0.014 4.333 4.320 -0.002 0.000 0.216 619 A C 2.436 180.250 177.584 0.384 0.000 1.199 619 A CA 1.555 53.796 52.037 0.340 0.000 0.621 619 A CB -0.639 18.526 19.000 0.274 0.000 0.835 619 A HN 0.343 nan 8.150 nan 0.000 0.445 620 L N -0.654 120.756 121.223 0.311 0.000 2.191 620 L HA -0.167 4.172 4.340 -0.002 0.000 0.212 620 L C 2.468 179.627 176.870 0.482 0.000 1.103 620 L CA 0.991 56.043 54.840 0.353 0.000 0.769 620 L CB -0.649 41.542 42.059 0.221 0.000 0.908 620 L HN 0.395 nan 8.230 nan 0.000 0.438 621 I N -0.673 120.138 120.570 0.403 0.000 2.252 621 I HA -0.286 3.883 4.170 -0.002 0.000 0.245 621 I C 2.446 178.784 176.117 0.368 0.000 1.102 621 I CA 1.045 62.573 61.300 0.380 0.000 1.385 621 I CB -0.201 37.861 38.000 0.103 0.000 1.064 621 I HN 0.362 nan 8.210 nan 0.000 0.414 622 C N 0.303 119.861 119.300 0.429 0.000 2.448 622 C HA -0.090 4.368 4.460 -0.002 0.000 0.280 622 C C 2.707 177.963 174.990 0.444 0.000 1.398 622 C CA 0.539 59.929 59.018 0.620 0.000 1.774 622 C CB -0.886 27.314 27.740 0.766 0.000 1.888 622 C HN 0.426 nan 8.230 nan 0.000 0.519 623 K N 0.623 121.228 120.400 0.342 0.000 2.021 623 K HA -0.015 4.303 4.320 -0.002 0.000 0.205 623 K C 2.072 178.688 176.600 0.025 0.000 1.047 623 K CA 0.800 57.126 56.287 0.065 0.000 0.943 623 K CB -0.339 32.293 32.500 0.219 0.000 0.725 623 K HN 0.267 nan 8.250 nan 0.000 0.439 624 L N 0.803 122.124 121.223 0.163 0.000 2.265 624 L HA -0.154 4.185 4.340 -0.002 0.000 0.215 624 L C 1.782 178.703 176.870 0.085 0.000 1.117 624 L CA 1.532 56.415 54.840 0.072 0.000 0.782 624 L CB -0.760 41.295 42.059 -0.007 0.000 0.914 624 L HN 0.474 nan 8.230 nan 0.000 0.441 625 W N 1.898 123.176 121.300 -0.038 0.000 2.408 625 W HA -0.168 4.491 4.660 -0.002 0.000 0.311 625 W C 2.475 178.939 176.519 -0.093 0.000 1.190 625 W CA 2.219 59.539 57.345 -0.041 0.000 1.321 625 W CB -0.721 28.746 29.460 0.012 0.000 1.143 625 W HN 0.244 nan 8.180 nan 0.000 0.501 626 I N -1.072 119.220 120.570 -0.463 0.000 2.756 626 I HA -0.157 4.011 4.170 -0.002 0.000 0.262 626 I C 1.956 177.865 176.117 -0.348 0.000 1.225 626 I CA 1.445 62.362 61.300 -0.637 0.000 1.472 626 I CB -0.692 36.907 38.000 -0.668 0.000 1.094 626 I HN 0.063 nan 8.210 nan 0.000 0.454 627 I N 1.356 121.756 120.570 -0.285 0.000 2.235 627 I HA -0.188 3.981 4.170 -0.002 0.000 0.241 627 I C 2.586 178.543 176.117 -0.268 0.000 1.085 627 I CA 1.168 62.321 61.300 -0.245 0.000 1.378 627 I CB -0.287 37.601 38.000 -0.186 0.000 1.076 627 I HN 0.135 nan 8.210 nan 0.000 0.415 628 K N 0.907 121.146 120.400 -0.269 0.000 2.147 628 K HA -0.137 4.182 4.320 -0.002 0.000 0.205 628 K C 1.965 178.371 176.600 -0.322 0.000 1.049 628 K CA 1.758 57.824 56.287 -0.368 0.000 0.936 628 K CB -0.477 31.789 32.500 -0.390 0.000 0.722 628 K HN 0.176 nan 8.250 nan 0.000 0.446 629 T N 0.732 115.114 114.554 -0.286 0.000 2.674 629 T HA -0.146 4.202 4.350 -0.002 0.000 0.265 629 T C 1.554 176.085 174.700 -0.282 0.000 1.039 629 T CA 1.508 63.440 62.100 -0.280 0.000 1.150 629 T CB -0.255 68.380 68.868 -0.388 0.000 0.864 629 T HN 0.373 nan 8.240 nan 0.000 0.427 630 E N 0.793 120.839 120.200 -0.256 0.000 2.150 630 E HA -0.177 4.172 4.350 -0.002 0.000 0.193 630 E C 2.205 178.675 176.600 -0.217 0.000 0.985 630 E CA 1.042 57.283 56.400 -0.266 0.000 0.814 630 E CB -0.052 29.442 29.700 -0.344 0.000 0.752 630 E HN 0.630 nan 8.360 nan 0.000 0.466 631 E N 0.034 120.091 120.200 -0.239 0.000 2.047 631 E HA -0.178 4.171 4.350 -0.002 0.000 0.191 631 E C 2.210 178.675 176.600 -0.225 0.000 0.987 631 E CA 1.050 57.314 56.400 -0.226 0.000 0.799 631 E CB -0.039 29.492 29.700 -0.283 0.000 0.752 631 E HN 0.252 nan 8.360 nan 0.000 0.449 632 M N 0.317 119.757 119.600 -0.266 0.000 2.213 632 M HA -0.136 4.343 4.480 -0.002 0.000 0.263 632 M C 2.202 178.370 176.300 -0.220 0.000 1.062 632 M CA 1.059 56.215 55.300 -0.240 0.000 1.105 632 M CB 0.002 32.455 32.600 -0.246 0.000 1.385 632 M HN 0.221 nan 8.290 nan 0.000 0.417 633 L N -1.102 119.953 121.223 -0.280 0.000 2.109 633 L HA -0.146 4.192 4.340 -0.002 0.000 0.207 633 L C 2.264 179.026 176.870 -0.180 0.000 1.086 633 L CA 0.695 55.328 54.840 -0.346 0.000 0.760 633 L CB -0.470 41.136 42.059 -0.754 0.000 0.910 633 L HN 0.103 nan 8.230 nan 0.000 0.437 634 V N 0.585 120.439 119.914 -0.100 0.000 2.667 634 V HA -0.215 3.904 4.120 -0.002 0.000 0.252 634 V C 2.340 178.400 176.094 -0.055 0.000 1.065 634 V CA 1.787 64.080 62.300 -0.011 0.000 1.083 634 V CB -0.557 31.266 31.823 0.000 0.000 0.692 634 V HN 0.627 nan 8.190 nan 0.000 0.468 635 E N 0.128 120.270 120.200 -0.097 0.000 2.427 635 E HA -0.132 4.217 4.350 -0.002 0.000 0.196 635 E C 1.756 178.308 176.600 -0.080 0.000 1.028 635 E CA 0.578 56.923 56.400 -0.091 0.000 0.864 635 E CB -0.133 29.499 29.700 -0.113 0.000 0.813 635 E HN 0.498 nan 8.360 nan 0.000 0.514 636 K N -0.089 120.259 120.400 -0.087 0.000 2.393 636 K HA 0.134 4.453 4.320 -0.002 0.000 0.193 636 K C 1.009 177.577 176.600 -0.054 0.000 1.026 636 K CA 0.511 56.751 56.287 -0.077 0.000 1.064 636 K CB 0.760 33.200 32.500 -0.100 0.000 0.833 636 K HN 0.350 nan 8.250 nan 0.000 0.521 637 G N 0.595 109.372 108.800 -0.039 0.000 2.391 637 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.204 637 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.204 637 G C -0.235 174.672 174.900 0.011 0.000 1.012 637 G CA -0.663 44.426 45.100 -0.019 0.000 0.651 637 G HN 0.006 nan 8.290 nan 0.000 0.494 638 L N 1.805 123.046 121.223 0.029 0.000 2.525 638 L HA 0.397 4.736 4.340 -0.002 0.000 0.278 638 L C 0.824 177.836 176.870 0.236 0.000 1.218 638 L CA 0.535 55.451 54.840 0.127 0.000 0.878 638 L CB 0.740 42.866 42.059 0.111 0.000 1.127 638 L HN 0.470 nan 8.230 nan 0.000 0.492 639 K N 2.936 123.430 120.400 0.158 0.000 2.159 639 K HA 0.221 4.540 4.320 -0.002 0.000 0.266 639 K C -0.629 175.786 176.600 -0.308 0.000 0.975 639 K CA -0.586 55.707 56.287 0.010 0.000 0.865 639 K CB 0.560 33.046 32.500 -0.023 0.000 1.087 639 K HN 0.686 nan 8.250 nan 0.000 0.446 640 H N 2.225 120.921 119.070 -0.623 0.000 2.782 640 H HA 0.406 4.960 4.556 -0.002 0.000 0.285 640 H C -0.309 174.626 175.328 -0.654 0.000 1.093 640 H CA 0.045 55.413 56.048 -1.134 0.000 1.410 640 H CB 0.693 29.951 29.762 -0.840 0.000 1.439 640 H HN 0.897 nan 8.280 nan 0.000 0.469 641 G N 3.179 111.738 108.800 -0.402 0.000 2.350 641 G HA2 -0.138 3.820 3.960 -0.002 0.000 0.304 641 G HA3 -0.138 3.820 3.960 -0.002 0.000 0.304 641 G C -0.500 174.193 174.900 -0.344 0.000 1.421 641 G CA -0.848 44.002 45.100 -0.418 0.000 0.934 641 G HN 0.664 nan 8.290 nan 0.000 0.632 642 W N 0.057 121.261 121.300 -0.161 0.000 2.595 642 W HA 0.122 4.780 4.660 -0.002 0.000 0.257 642 W C 1.967 178.522 176.519 0.061 0.000 1.267 642 W CA 0.912 58.085 57.345 -0.286 0.000 1.300 642 W CB 0.377 29.562 29.460 -0.459 0.000 1.120 642 W HN 0.630 nan 8.180 nan 0.000 0.618 643 D N -1.234 119.290 120.400 0.207 0.000 2.342 643 D HA 0.153 4.791 4.640 -0.002 0.000 0.221 643 D C 1.139 177.532 176.300 0.155 0.000 1.101 643 D CA 0.375 54.486 54.000 0.186 0.000 0.837 643 D CB -0.397 40.465 40.800 0.102 0.000 0.938 643 D HN 0.126 nan 8.370 nan 0.000 0.508 644 G N 0.145 109.055 108.800 0.184 0.000 3.407 644 G HA2 0.187 4.146 3.960 -0.002 0.000 0.187 644 G HA3 0.187 4.146 3.960 -0.002 0.000 0.187 644 G C 0.227 175.224 174.900 0.162 0.000 1.262 644 G CA -0.148 45.016 45.100 0.107 0.000 0.808 644 G HN 0.020 nan 8.290 nan 0.000 0.687 645 D N -0.965 119.483 120.400 0.081 0.000 2.482 645 D HA 0.183 4.821 4.640 -0.002 0.000 0.251 645 D C -0.011 176.285 176.300 -0.007 0.000 1.073 645 D CA 0.440 54.441 54.000 0.000 0.000 0.892 645 D CB 1.173 42.015 40.800 0.070 0.000 1.202 645 D HN 0.287 nan 8.370 nan 0.000 0.496 646 F N 0.501 120.449 119.950 -0.004 0.000 2.613 646 F HA 0.783 5.309 4.527 -0.002 0.000 0.314 646 F C -1.675 174.131 175.800 0.011 0.000 1.075 646 F CA -1.711 56.295 58.000 0.010 0.000 0.945 646 F CB 1.787 40.705 39.000 -0.137 0.000 1.310 646 F HN -0.155 nan 8.300 nan 0.000 0.467 647 A N 1.922 124.722 122.820 -0.034 0.000 2.429 647 A HA 0.596 4.915 4.320 -0.002 0.000 0.289 647 A C -2.153 175.393 177.584 -0.064 0.000 1.043 647 A CA -0.572 51.254 52.037 -0.352 0.000 0.722 647 A CB 0.287 18.432 19.000 -1.425 0.000 1.243 647 A HN 0.694 nan 8.150 nan 0.000 0.415 648 Y N 2.428 122.713 120.300 -0.026 0.000 2.526 648 Y HA 0.197 4.746 4.550 -0.002 0.000 0.330 648 Y C 1.465 177.251 175.900 -0.190 0.000 1.156 648 Y CA 0.264 58.318 58.100 -0.078 0.000 1.419 648 Y CB 0.782 39.263 38.460 0.036 0.000 1.250 648 Y HN 0.735 nan 8.280 nan 0.000 0.540 649 M N 2.023 121.463 119.600 -0.267 0.000 2.638 649 M HA 0.419 4.897 4.480 -0.002 0.000 0.256 649 M C 0.269 176.316 176.300 -0.420 0.000 1.282 649 M CA 0.439 55.450 55.300 -0.481 0.000 1.155 649 M CB 0.686 32.624 32.600 -1.103 0.000 1.345 649 M HN 0.549 nan 8.290 nan 0.000 0.523 650 A N -0.239 122.366 122.820 -0.358 0.000 2.599 650 A HA 0.549 4.868 4.320 -0.002 0.000 0.294 650 A C -2.650 174.963 177.584 0.047 0.000 1.055 650 A CA -0.448 51.529 52.037 -0.100 0.000 0.683 650 A CB 0.847 19.765 19.000 -0.136 0.000 1.278 650 A HN 0.374 nan 8.150 nan 0.000 0.412 651 W N 2.097 123.395 121.300 -0.004 0.000 2.631 651 W HA 0.588 5.246 4.660 -0.002 0.000 0.321 651 W C -1.908 174.669 176.519 0.096 0.000 1.004 651 W CA -0.846 56.519 57.345 0.034 0.000 1.291 651 W CB 1.492 30.990 29.460 0.065 0.000 1.300 651 W HN 0.505 nan 8.180 nan 0.000 0.422 652 V N 9.465 129.322 119.914 -0.094 0.000 2.204 652 V HA 0.231 4.350 4.120 -0.002 0.000 0.264 652 V C 0.821 176.729 176.094 -0.309 0.000 1.106 652 V CA 0.037 62.125 62.300 -0.353 0.000 0.947 652 V CB -0.416 31.402 31.823 -0.007 0.000 1.164 652 V HN 0.823 nan 8.190 nan 0.000 0.461 653 H N 2.159 120.940 119.070 -0.481 0.000 2.876 653 H HA -0.232 4.323 4.556 -0.002 0.000 0.089 653 H C 1.389 176.858 175.328 0.235 0.000 0.604 653 H CA 2.191 58.131 56.048 -0.181 0.000 1.675 653 H CB -1.047 28.690 29.762 -0.042 0.000 1.917 653 H HN 0.794 nan 8.280 nan 0.000 0.923 654 D N 2.661 123.308 120.400 0.411 0.000 2.368 654 D HA 0.126 4.765 4.640 -0.002 0.000 0.218 654 D C 0.558 177.158 176.300 0.500 0.000 1.112 654 D CA 0.523 54.786 54.000 0.438 0.000 0.834 654 D CB 0.715 41.696 40.800 0.302 0.000 0.953 654 D HN 0.659 nan 8.370 nan 0.000 0.505 655 E N 0.781 121.293 120.200 0.519 0.000 2.390 655 E HA 0.461 4.810 4.350 -0.002 0.000 0.277 655 E C -1.223 175.621 176.600 0.407 0.000 0.939 655 E CA -0.960 55.726 56.400 0.478 0.000 0.769 655 E CB 2.329 32.243 29.700 0.357 0.000 1.251 655 E HN 0.165 nan 8.360 nan 0.000 0.450 656 I N -0.621 120.071 120.570 0.204 0.000 2.785 656 I HA 0.523 4.691 4.170 -0.002 0.000 0.302 656 I C -1.012 175.011 176.117 -0.156 0.000 1.069 656 I CA -1.027 60.242 61.300 -0.052 0.000 1.045 656 I CB 2.281 40.041 38.000 -0.400 0.000 1.236 656 I HN 0.269 nan 8.210 nan 0.000 0.429 657 Q N 4.178 123.786 119.800 -0.321 0.000 2.327 657 Q HA 0.571 4.910 4.340 -0.002 0.000 0.270 657 Q C -1.159 174.572 176.000 -0.449 0.000 1.022 657 Q CA -0.648 54.919 55.803 -0.393 0.000 0.773 657 Q CB 2.903 31.243 28.738 -0.663 0.000 1.251 657 Q HN 0.634 nan 8.270 nan 0.000 0.457 658 V N 0.933 120.655 119.914 -0.320 0.000 2.495 658 V HA 0.646 4.764 4.120 -0.002 0.000 0.298 658 V C 0.527 176.580 176.094 -0.068 0.000 1.031 658 V CA -0.980 61.167 62.300 -0.255 0.000 0.871 658 V CB 1.937 33.592 31.823 -0.280 0.000 0.988 658 V HN 0.802 nan 8.190 nan 0.000 0.432 659 G N 2.567 111.385 108.800 0.029 0.000 2.370 659 G HA2 0.446 4.405 3.960 -0.002 0.000 0.272 659 G HA3 0.446 4.405 3.960 -0.002 0.000 0.272 659 G C -0.392 174.772 174.900 0.441 0.000 1.208 659 G CA -0.076 45.216 45.100 0.320 0.000 0.856 659 G HN 0.795 nan 8.290 nan 0.000 0.500 660 C N 2.007 121.494 119.300 0.311 0.000 2.634 660 C HA 0.489 4.948 4.460 -0.002 0.000 0.313 660 C C 1.663 176.203 174.990 -0.750 0.000 1.198 660 C CA -0.747 58.188 59.018 -0.140 0.000 1.605 660 C CB 2.001 29.677 27.740 -0.106 0.000 2.196 660 C HN 1.026 nan 8.230 nan 0.000 0.486 661 R N 0.718 120.370 120.500 -1.413 0.000 2.148 661 R HA 0.008 4.346 4.340 -0.002 0.000 0.223 661 R C 0.727 176.625 176.300 -0.671 0.000 1.088 661 R CA 1.578 56.679 56.100 -1.665 0.000 0.985 661 R CB 0.164 29.774 30.300 -1.150 0.000 0.880 661 R HN 0.936 nan 8.270 nan 0.000 0.451 662 T N -4.265 110.047 114.554 -0.404 0.000 2.883 662 T HA 0.213 4.561 4.350 -0.002 0.000 0.301 662 T C 0.398 175.014 174.700 -0.140 0.000 1.158 662 T CA -0.953 61.022 62.100 -0.209 0.000 1.007 662 T CB 1.830 70.602 68.868 -0.160 0.000 1.186 662 T HN 0.058 nan 8.240 nan 0.000 0.499 663 E N 0.484 120.632 120.200 -0.086 0.000 2.085 663 E HA -0.199 4.149 4.350 -0.002 0.000 0.194 663 E C 1.711 178.274 176.600 -0.062 0.000 0.994 663 E CA 1.503 57.868 56.400 -0.057 0.000 0.801 663 E CB -0.005 29.674 29.700 -0.035 0.000 0.743 663 E HN 0.861 nan 8.360 nan 0.000 0.453 664 E N 0.959 121.119 120.200 -0.067 0.000 2.049 664 E HA -0.218 4.131 4.350 -0.002 0.000 0.198 664 E C 2.146 178.699 176.600 -0.078 0.000 1.007 664 E CA 1.144 57.506 56.400 -0.063 0.000 0.809 664 E CB -0.095 29.568 29.700 -0.061 0.000 0.749 664 E HN 0.201 nan 8.360 nan 0.000 0.450 665 I N 0.712 121.222 120.570 -0.101 0.000 2.264 665 I HA -0.286 3.883 4.170 -0.002 0.000 0.248 665 I C 2.500 178.550 176.117 -0.112 0.000 1.111 665 I CA 0.978 62.209 61.300 -0.115 0.000 1.382 665 I CB -0.317 37.596 38.000 -0.145 0.000 1.060 665 I HN 0.224 nan 8.210 nan 0.000 0.418 666 A N -0.168 122.594 122.820 -0.097 0.000 1.933 666 A HA -0.262 4.057 4.320 -0.002 0.000 0.218 666 A C 2.201 179.745 177.584 -0.067 0.000 1.175 666 A CA 1.548 53.540 52.037 -0.075 0.000 0.628 666 A CB -0.471 18.499 19.000 -0.049 0.000 0.814 666 A HN 0.343 nan 8.150 nan 0.000 0.444 667 Q N -0.533 119.231 119.800 -0.060 0.000 2.119 667 Q HA -0.059 4.280 4.340 -0.002 0.000 0.201 667 Q C 2.033 177.997 176.000 -0.060 0.000 0.972 667 Q CA 1.596 57.370 55.803 -0.047 0.000 0.847 667 Q CB -0.407 28.308 28.738 -0.039 0.000 0.903 667 Q HN 0.423 nan 8.270 nan 0.000 0.433 668 V N -0.835 119.030 119.914 -0.082 0.000 2.358 668 V HA -0.211 3.908 4.120 -0.002 0.000 0.246 668 V C 2.090 178.106 176.094 -0.131 0.000 1.047 668 V CA 1.413 63.653 62.300 -0.101 0.000 1.035 668 V CB -0.515 31.239 31.823 -0.116 0.000 0.658 668 V HN 0.173 nan 8.190 nan 0.000 0.452 669 V N 0.086 119.903 119.914 -0.161 0.000 2.332 669 V HA -0.278 3.841 4.120 -0.002 0.000 0.248 669 V C 2.203 178.221 176.094 -0.126 0.000 1.055 669 V CA 2.234 64.411 62.300 -0.204 0.000 1.038 669 V CB -0.537 31.150 31.823 -0.227 0.000 0.651 669 V HN 0.445 nan 8.190 nan 0.000 0.450 670 I N -0.180 120.345 120.570 -0.075 0.000 2.179 670 I HA -0.267 3.902 4.170 -0.002 0.000 0.242 670 I C 2.556 178.674 176.117 0.001 0.000 1.088 670 I CA 1.801 63.090 61.300 -0.019 0.000 1.357 670 I CB -0.477 37.519 38.000 -0.006 0.000 1.051 670 I HN 0.368 nan 8.210 nan 0.000 0.409 671 E N 0.405 120.593 120.200 -0.021 0.000 2.077 671 E HA -0.171 4.177 4.350 -0.002 0.000 0.193 671 E C 2.104 178.699 176.600 -0.008 0.000 0.989 671 E CA 1.911 58.304 56.400 -0.011 0.000 0.800 671 E CB -0.047 29.637 29.700 -0.026 0.000 0.746 671 E HN 0.456 nan 8.360 nan 0.000 0.452 672 T N 0.463 114.990 114.554 -0.045 0.000 2.904 672 T HA -0.067 4.282 4.350 -0.002 0.000 0.267 672 T C 1.934 176.636 174.700 0.004 0.000 1.059 672 T CA 0.938 63.003 62.100 -0.059 0.000 1.137 672 T CB -0.111 68.669 68.868 -0.145 0.000 0.879 672 T HN 0.212 nan 8.240 nan 0.000 0.467 673 A N 1.243 124.087 122.820 0.040 0.000 2.015 673 A HA -0.102 4.217 4.320 -0.002 0.000 0.219 673 A C 2.292 180.102 177.584 0.376 0.000 1.163 673 A CA 1.537 53.710 52.037 0.227 0.000 0.646 673 A CB -0.521 18.610 19.000 0.218 0.000 0.806 673 A HN 0.387 nan 8.150 nan 0.000 0.448 674 Q N 0.282 120.189 119.800 0.179 0.000 2.096 674 Q HA -0.093 4.245 4.340 -0.002 0.000 0.197 674 Q C 1.755 177.817 176.000 0.104 0.000 0.964 674 Q CA 2.058 57.931 55.803 0.116 0.000 0.838 674 Q CB -0.363 28.414 28.738 0.064 0.000 0.906 674 Q HN 0.729 nan 8.270 nan 0.000 0.444 675 E N -0.049 120.205 120.200 0.090 0.000 2.038 675 E HA -0.196 4.152 4.350 -0.002 0.000 0.195 675 E C 1.917 178.607 176.600 0.149 0.000 1.000 675 E CA 1.174 57.627 56.400 0.088 0.000 0.803 675 E CB -0.320 29.405 29.700 0.043 0.000 0.750 675 E HN 0.478 nan 8.360 nan 0.000 0.448 676 A N 0.986 123.905 122.820 0.164 0.000 1.940 676 A HA -0.247 4.072 4.320 -0.002 0.000 0.219 676 A C 2.126 179.922 177.584 0.352 0.000 1.176 676 A CA 1.817 53.996 52.037 0.237 0.000 0.631 676 A CB -0.463 18.649 19.000 0.188 0.000 0.814 676 A HN 0.220 nan 8.150 nan 0.000 0.446 677 M N -0.658 119.089 119.600 0.244 0.000 2.132 677 M HA -0.076 4.403 4.480 -0.002 0.000 0.263 677 M C 1.923 178.225 176.300 0.003 0.000 1.065 677 M CA 1.427 56.687 55.300 -0.066 0.000 1.122 677 M CB -0.355 32.027 32.600 -0.364 0.000 1.365 677 M HN 0.255 nan 8.290 nan 0.000 0.411 678 R N -1.248 119.290 120.500 0.062 0.000 2.075 678 R HA -0.167 4.171 4.340 -0.002 0.000 0.232 678 R C 2.046 178.394 176.300 0.079 0.000 1.126 678 R CA 1.675 57.808 56.100 0.055 0.000 0.963 678 R CB -1.748 28.591 30.300 0.065 0.000 0.858 678 R HN 0.680 nan 8.270 nan 0.000 0.435 679 W N 1.164 122.451 121.300 -0.021 0.000 2.338 679 W HA -0.192 4.466 4.660 -0.002 0.000 0.304 679 W C 1.898 178.381 176.519 -0.059 0.000 1.212 679 W CA 1.314 58.641 57.345 -0.030 0.000 1.264 679 W CB -0.140 29.295 29.460 -0.041 0.000 1.142 679 W HN -0.191 nan 8.180 nan 0.000 0.512 680 V N 0.919 120.921 119.914 0.147 0.000 2.358 680 V HA -0.217 3.902 4.120 -0.002 0.000 0.246 680 V C 2.468 178.448 176.094 -0.190 0.000 1.047 680 V CA 2.110 64.358 62.300 -0.087 0.000 1.035 680 V CB -1.632 30.207 31.823 0.027 0.000 0.658 680 V HN 0.408 nan 8.190 nan 0.000 0.452 681 G N -0.312 108.422 108.800 -0.111 0.000 2.440 681 G HA2 -0.360 3.598 3.960 -0.002 0.000 0.218 681 G HA3 -0.360 3.598 3.960 -0.002 0.000 0.218 681 G C 1.305 176.198 174.900 -0.012 0.000 1.154 681 G CA 1.278 46.343 45.100 -0.058 0.000 0.767 681 G HN 0.610 nan 8.290 nan 0.000 0.552 682 D N -0.474 119.858 120.400 -0.112 0.000 2.097 682 D HA -0.183 4.456 4.640 -0.002 0.000 0.197 682 D C 2.089 178.249 176.300 -0.233 0.000 0.984 682 D CA 1.255 55.167 54.000 -0.147 0.000 0.826 682 D CB -0.327 40.349 40.800 -0.206 0.000 0.973 682 D HN 0.438 nan 8.370 nan 0.000 0.460 683 H N -1.456 117.257 119.070 -0.595 0.000 2.426 683 H HA -0.137 4.418 4.556 -0.002 0.000 0.298 683 H C 0.521 175.640 175.328 -0.347 0.000 1.107 683 H CA 1.649 57.260 56.048 -0.729 0.000 1.298 683 H CB -0.014 28.960 29.762 -1.313 0.000 1.377 683 H HN 0.290 nan 8.280 nan 0.000 0.519 684 W N 1.245 122.474 121.300 -0.119 0.000 2.862 684 W HA 0.294 4.952 4.660 -0.002 0.000 0.426 684 W C -0.078 176.473 176.519 0.053 0.000 0.950 684 W CA -0.571 56.752 57.345 -0.037 0.000 2.150 684 W CB -0.577 28.919 29.460 0.061 0.000 1.161 684 W HN 0.199 nan 8.180 nan 0.000 0.696 685 N N 0.672 119.478 118.700 0.176 0.000 2.702 685 N HA -0.284 4.454 4.740 -0.002 0.000 0.255 685 N C -0.321 175.339 175.510 0.250 0.000 0.983 685 N CA 1.026 54.163 53.050 0.145 0.000 0.768 685 N CB -1.874 36.667 38.487 0.090 0.000 0.918 685 N HN 0.013 nan 8.380 nan 0.000 0.540 686 F N 1.076 121.073 119.950 0.078 0.000 2.572 686 F HA 0.024 4.550 4.527 -0.002 0.000 0.370 686 F C 1.978 177.883 175.800 0.174 0.000 1.103 686 F CA -0.187 57.864 58.000 0.086 0.000 1.286 686 F CB 0.630 39.601 39.000 -0.049 0.000 1.105 686 F HN -0.029 nan 8.300 nan 0.000 0.583 687 R N 2.925 123.494 120.500 0.114 0.000 2.335 687 R HA 0.094 4.433 4.340 -0.002 0.000 0.223 687 R C -0.563 175.738 176.300 0.001 0.000 0.940 687 R CA 0.192 56.272 56.100 -0.033 0.000 1.086 687 R CB -0.559 29.589 30.300 -0.254 0.000 1.073 687 R HN 0.402 nan 8.270 nan 0.000 0.504 688 C N 1.166 120.528 119.300 0.103 0.000 2.505 688 C HA 0.316 4.774 4.460 -0.002 0.000 0.342 688 C C -0.247 174.884 174.990 0.234 0.000 1.121 688 C CA -1.355 57.756 59.018 0.156 0.000 1.306 688 C CB 0.111 27.949 27.740 0.164 0.000 1.897 688 C HN 0.376 nan 8.230 nan 0.000 0.446 689 L N 5.915 127.222 121.223 0.141 0.000 2.559 689 L HA 0.299 4.638 4.340 -0.002 0.000 0.282 689 L C -0.403 176.524 176.870 0.096 0.000 1.232 689 L CA 1.113 56.017 54.840 0.107 0.000 0.885 689 L CB 0.301 42.398 42.059 0.064 0.000 1.131 689 L HN 0.620 nan 8.230 nan 0.000 0.498 690 L N 4.767 126.021 121.223 0.052 0.000 2.334 690 L HA 0.579 4.918 4.340 -0.002 0.000 0.276 690 L C -0.513 176.324 176.870 -0.056 0.000 1.014 690 L CA -0.736 54.094 54.840 -0.016 0.000 0.815 690 L CB 1.678 43.677 42.059 -0.099 0.000 1.268 690 L HN 0.620 nan 8.230 nan 0.000 0.428 691 D N -0.011 120.341 120.400 -0.081 0.000 2.592 691 D HA 0.640 5.279 4.640 -0.002 0.000 0.263 691 D C -0.798 175.420 176.300 -0.136 0.000 1.132 691 D CA -0.158 53.794 54.000 -0.082 0.000 0.996 691 D CB 2.611 43.394 40.800 -0.028 0.000 1.442 691 D HN 0.573 nan 8.370 nan 0.000 0.486 692 T N -2.836 111.668 114.554 -0.083 0.000 2.883 692 T HA 0.690 5.039 4.350 -0.002 0.000 0.301 692 T C -1.165 173.550 174.700 0.024 0.000 1.158 692 T CA -0.932 61.135 62.100 -0.056 0.000 1.007 692 T CB 2.441 71.297 68.868 -0.021 0.000 1.186 692 T HN 0.482 nan 8.240 nan 0.000 0.499 693 E N 0.270 120.507 120.200 0.061 0.000 2.292 693 E HA 0.687 5.036 4.350 -0.002 0.000 0.272 693 E C -0.606 176.051 176.600 0.095 0.000 0.881 693 E CA -1.463 54.978 56.400 0.068 0.000 0.754 693 E CB 1.916 31.652 29.700 0.061 0.000 1.201 693 E HN 0.992 nan 8.360 nan 0.000 0.425 694 G N 0.320 109.168 108.800 0.080 0.000 2.563 694 G HA2 0.694 4.653 3.960 -0.002 0.000 0.302 694 G HA3 0.694 4.653 3.960 -0.002 0.000 0.302 694 G C -1.432 173.508 174.900 0.065 0.000 1.301 694 G CA -0.523 44.626 45.100 0.082 0.000 0.965 694 G HN 0.635 nan 8.290 nan 0.000 0.480 695 K N 0.979 121.421 120.400 0.070 0.000 2.468 695 K HA 0.786 5.105 4.320 -0.002 0.000 0.252 695 K C -0.614 176.020 176.600 0.057 0.000 0.932 695 K CA -0.734 55.591 56.287 0.063 0.000 0.794 695 K CB 1.988 34.536 32.500 0.079 0.000 1.241 695 K HN 0.808 nan 8.250 nan 0.000 0.428 696 M N 1.812 121.438 119.600 0.044 0.000 2.277 696 M HA 0.720 5.198 4.480 -0.002 0.000 0.350 696 M C 0.303 176.633 176.300 0.050 0.000 1.180 696 M CA 0.247 55.569 55.300 0.037 0.000 1.103 696 M CB 1.460 34.072 32.600 0.020 0.000 1.577 696 M HN 1.033 nan 8.290 nan 0.000 0.459 697 G N 3.339 112.173 108.800 0.057 0.000 2.349 697 G HA2 0.352 4.310 3.960 -0.002 0.000 0.294 697 G HA3 0.352 4.310 3.960 -0.002 0.000 0.294 697 G C -3.133 171.809 174.900 0.070 0.000 1.380 697 G CA -0.677 44.462 45.100 0.065 0.000 0.811 697 G HN 0.423 nan 8.290 nan 0.000 0.519 698 P HA 0.071 nan 4.420 nan 0.000 0.224 698 P C 0.205 177.527 177.300 0.037 0.000 1.157 698 P CA 1.029 64.151 63.100 0.038 0.000 0.799 698 P CB 0.208 31.914 31.700 0.010 0.000 0.809 699 N N -3.629 115.133 118.700 0.103 0.000 3.243 699 N HA 0.040 4.779 4.740 -0.002 0.000 0.280 699 N C -0.007 175.693 175.510 0.317 0.000 1.545 699 N CA -0.853 52.311 53.050 0.190 0.000 0.854 699 N CB -0.532 38.049 38.487 0.156 0.000 1.612 699 N HN -0.321 nan 8.380 nan 0.000 0.577 700 W N 0.271 121.694 121.300 0.204 0.000 2.392 700 W HA 0.221 4.880 4.660 -0.002 0.000 0.279 700 W C 1.850 178.435 176.519 0.109 0.000 1.225 700 W CA 1.581 59.033 57.345 0.179 0.000 1.233 700 W CB -1.153 28.402 29.460 0.160 0.000 1.122 700 W HN 0.777 nan 8.180 nan 0.000 0.561 701 A N -0.016 122.983 122.820 0.298 0.000 1.841 701 A HA -0.167 4.152 4.320 -0.002 0.000 0.214 701 A C 1.916 179.585 177.584 0.142 0.000 1.195 701 A CA 1.893 54.023 52.037 0.155 0.000 0.611 701 A CB -0.929 18.147 19.000 0.127 0.000 0.835 701 A HN 0.081 nan 8.150 nan 0.000 0.443 702 I N -0.171 120.488 120.570 0.148 0.000 2.315 702 I HA -0.193 3.975 4.170 -0.002 0.000 0.248 702 I C 1.955 178.153 176.117 0.135 0.000 1.117 702 I CA 0.778 62.148 61.300 0.118 0.000 1.404 702 I CB -0.507 37.552 38.000 0.098 0.000 1.071 702 I HN 0.359 nan 8.210 nan 0.000 0.419 703 C N 0.664 120.079 119.300 0.192 0.000 2.546 703 C HA 0.067 4.525 4.460 -0.002 0.000 0.275 703 C C 1.817 176.940 174.990 0.222 0.000 1.393 703 C CA 0.399 59.537 59.018 0.201 0.000 1.703 703 C CB -2.956 24.918 27.740 0.222 0.000 1.710 703 C HN 0.593 nan 8.230 nan 0.000 0.581 704 H N 0.000 119.183 119.070 0.188 0.000 2.539 704 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 704 H CA 0.000 56.128 56.048 0.134 0.000 1.023 704 H CB 0.000 29.798 29.762 0.060 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496