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 2vbi_1_D DATA FIRST_RESID 2 DATA SEQUENCE TYTVGMYLAE RLVQIGLKHH FAVAGDYNLV LLDQLLLNKD MKQIYCCNEL DATA SEQUENCE NCGFSAEGYA RSNGAAAAVV TFSVGAISAM NALGGAYAEN LPVILISGAP DATA SEQUENCE NSNDQGTGHI LHHTIGKTDY SYQLEMARQV TCAAESITDA HSAPAKIDHV DATA SEQUENCE IRTALRERKP AYLDIACNIA SEPCVRPGPV SSLLSEPEID HTSLKAAVDA DATA SEQUENCE TVALLEKSAS PVMLLGSKLR AANALAATET LADKLQCAVT IMAAAKGFFP DATA SEQUENCE EDHAGFRGLY WGEVSNPGVQ ELVETSDALL CIAPVFNDYS TVGWSAWPKG DATA SEQUENCE PNVILAEPDR VTVDGRAYDG FTLRAFLQAL AEKAPARPAS AQKSSVPTCS DATA SEQUENCE LTATSDEAGL TNDEIVRHIN ALLTSNTTLV AETGDSWFNA MRMTLPRGAR DATA SEQUENCE VELEMQWGHI GWSVPSAFGN AMGSQDRQHV VMVGDGSFQL TAQEVAQMVR DATA SEQUENCE YELPVIIFLI NNRGYVIEIA IHDGPYNYIK NWDYAGLMEV FNAGEGHGLG DATA SEQUENCE LKATTPKELT EAIARAKANT RGPTLIECQI DRTDCTDMLV QWGRKVASTN DATA SEQUENCE ARKT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.774 174.700 0.123 0.000 1.109 2 T CA 0.000 62.156 62.100 0.093 0.000 1.349 2 T CB 0.000 68.900 68.868 0.054 0.000 0.612 3 Y N 5.025 125.339 120.300 0.023 0.000 2.341 3 Y HA 0.590 5.142 4.550 0.003 0.000 0.340 3 Y C 0.799 176.721 175.900 0.037 0.000 0.997 3 Y CA 0.098 58.217 58.100 0.032 0.000 1.149 3 Y CB 1.232 39.715 38.460 0.038 0.000 1.171 3 Y HN 0.811 nan 8.280 nan 0.000 0.494 4 T N 0.885 115.262 114.554 -0.294 0.000 2.948 4 T HA 0.313 4.665 4.350 0.003 0.000 0.285 4 T C 0.928 175.536 174.700 -0.154 0.000 1.019 4 T CA -0.658 61.352 62.100 -0.149 0.000 1.013 4 T CB 1.196 69.993 68.868 -0.119 0.000 1.117 4 T HN 0.404 nan 8.240 nan 0.000 0.533 5 V N 1.789 121.669 119.914 -0.057 0.000 2.282 5 V HA -0.083 4.039 4.120 0.003 0.000 0.249 5 V C 2.928 179.010 176.094 -0.020 0.000 1.057 5 V CA 2.598 64.880 62.300 -0.031 0.000 1.032 5 V CB -1.516 30.281 31.823 -0.044 0.000 0.645 5 V HN 1.116 nan 8.190 nan 0.000 0.447 6 G N -0.949 107.815 108.800 -0.061 0.000 2.432 6 G HA2 -0.261 3.701 3.960 0.003 0.000 0.219 6 G HA3 -0.261 3.701 3.960 0.003 0.000 0.219 6 G C 1.586 176.422 174.900 -0.107 0.000 1.135 6 G CA 1.082 46.142 45.100 -0.066 0.000 0.767 6 G HN 0.462 nan 8.290 nan 0.000 0.550 7 M N -1.028 118.439 119.600 -0.222 0.000 2.175 7 M HA 0.029 4.511 4.480 0.003 0.000 0.264 7 M C 2.345 178.523 176.300 -0.203 0.000 1.063 7 M CA 1.006 56.099 55.300 -0.344 0.000 1.119 7 M CB -0.336 31.804 32.600 -0.766 0.000 1.377 7 M HN 0.307 nan 8.290 nan 0.000 0.415 8 Y N 1.371 121.544 120.300 -0.212 0.000 2.145 8 Y HA -0.278 4.274 4.550 0.003 0.000 0.286 8 Y C 2.180 178.088 175.900 0.012 0.000 1.145 8 Y CA 1.725 59.868 58.100 0.071 0.000 1.148 8 Y CB -0.336 38.194 38.460 0.117 0.000 0.981 8 Y HN 0.103 nan 8.280 nan 0.000 0.507 9 L N 0.639 121.978 121.223 0.194 0.000 2.042 9 L HA -0.132 4.210 4.340 0.003 0.000 0.210 9 L C 2.421 179.261 176.870 -0.051 0.000 1.076 9 L CA 2.220 57.106 54.840 0.076 0.000 0.749 9 L CB -1.320 40.755 42.059 0.027 0.000 0.893 9 L HN 0.268 nan 8.230 nan 0.000 0.432 10 A N -0.870 121.898 122.820 -0.086 0.000 1.877 10 A HA -0.275 4.047 4.320 0.003 0.000 0.216 10 A C 2.340 179.867 177.584 -0.095 0.000 1.186 10 A CA 1.846 53.809 52.037 -0.123 0.000 0.620 10 A CB -0.778 18.149 19.000 -0.122 0.000 0.822 10 A HN 0.611 nan 8.150 nan 0.000 0.443 11 E N -0.907 119.246 120.200 -0.078 0.000 2.150 11 E HA -0.182 4.170 4.350 0.003 0.000 0.193 11 E C 2.237 178.765 176.600 -0.120 0.000 0.985 11 E CA 0.683 57.037 56.400 -0.077 0.000 0.814 11 E CB 0.021 29.701 29.700 -0.033 0.000 0.752 11 E HN 0.315 nan 8.360 nan 0.000 0.466 12 R N 0.186 120.587 120.500 -0.165 0.000 2.075 12 R HA -0.065 4.277 4.340 0.003 0.000 0.232 12 R C 2.453 178.708 176.300 -0.076 0.000 1.126 12 R CA 0.714 56.731 56.100 -0.139 0.000 0.963 12 R CB -0.685 29.535 30.300 -0.133 0.000 0.858 12 R HN 0.319 nan 8.270 nan 0.000 0.435 13 L N 0.257 121.437 121.223 -0.071 0.000 2.046 13 L HA -0.155 4.187 4.340 0.003 0.000 0.208 13 L C 2.442 179.290 176.870 -0.036 0.000 1.077 13 L CA 0.990 55.798 54.840 -0.052 0.000 0.747 13 L CB -0.554 41.454 42.059 -0.085 0.000 0.896 13 L HN -0.062 nan 8.230 nan 0.000 0.432 14 V N -0.496 119.389 119.914 -0.049 0.000 2.407 14 V HA -0.300 3.822 4.120 0.003 0.000 0.248 14 V C 2.408 178.485 176.094 -0.027 0.000 1.055 14 V CA 1.642 63.920 62.300 -0.035 0.000 1.049 14 V CB -0.501 31.297 31.823 -0.042 0.000 0.662 14 V HN 0.504 nan 8.190 nan 0.000 0.455 15 Q N -0.703 119.073 119.800 -0.040 0.000 2.224 15 Q HA -0.092 4.249 4.340 0.003 0.000 0.203 15 Q C 2.200 178.188 176.000 -0.020 0.000 0.970 15 Q CA 1.284 57.066 55.803 -0.035 0.000 0.865 15 Q CB -0.167 28.539 28.738 -0.053 0.000 0.922 15 Q HN 0.610 nan 8.270 nan 0.000 0.445 16 I N -0.670 119.893 120.570 -0.012 0.000 2.361 16 I HA -0.160 4.011 4.170 0.003 0.000 0.251 16 I C 1.334 177.462 176.117 0.018 0.000 1.133 16 I CA 1.138 62.441 61.300 0.004 0.000 1.413 16 I CB -0.124 37.886 38.000 0.017 0.000 1.073 16 I HN 0.427 nan 8.210 nan 0.000 0.424 17 G N 0.528 109.341 108.800 0.022 0.000 2.154 17 G HA2 -0.169 3.793 3.960 0.003 0.000 0.186 17 G HA3 -0.169 3.793 3.960 0.003 0.000 0.186 17 G C -0.111 174.837 174.900 0.079 0.000 1.000 17 G CA -0.666 44.454 45.100 0.034 0.000 0.664 17 G HN 0.069 nan 8.290 nan 0.000 0.513 18 L N 0.609 121.888 121.223 0.094 0.000 2.426 18 L HA 0.481 4.823 4.340 0.003 0.000 0.271 18 L C 1.452 178.375 176.870 0.089 0.000 1.169 18 L CA 0.443 55.380 54.840 0.162 0.000 0.836 18 L CB 0.985 43.104 42.059 0.100 0.000 1.112 18 L HN 0.077 nan 8.230 nan 0.000 0.465 19 K N 1.888 122.377 120.400 0.148 0.000 2.402 19 K HA 0.263 4.584 4.320 0.003 0.000 0.204 19 K C -0.508 175.775 176.600 -0.529 0.000 1.056 19 K CA -0.031 56.182 56.287 -0.123 0.000 1.069 19 K CB 0.633 33.082 32.500 -0.085 0.000 0.888 19 K HN 0.614 nan 8.250 nan 0.000 0.546 20 H N -0.119 118.840 119.070 -0.186 0.000 2.996 20 H HA 0.319 4.877 4.556 0.003 0.000 0.368 20 H C -0.561 174.404 175.328 -0.606 0.000 1.185 20 H CA -0.929 54.795 56.048 -0.540 0.000 1.160 20 H CB 1.316 30.581 29.762 -0.827 0.000 1.820 20 H HN 0.057 nan 8.280 nan 0.000 0.547 21 H N 0.480 119.209 119.070 -0.569 0.000 2.895 21 H HA 0.488 5.046 4.556 0.003 0.000 0.373 21 H C -1.578 173.377 175.328 -0.621 0.000 1.174 21 H CA -1.004 54.765 56.048 -0.464 0.000 1.144 21 H CB 1.184 30.823 29.762 -0.205 0.000 1.793 21 H HN 0.355 nan 8.280 nan 0.000 0.551 22 F N 0.593 120.453 119.950 -0.150 0.000 2.450 22 F HA 0.718 5.247 4.527 0.003 0.000 0.332 22 F C 0.264 176.066 175.800 0.005 0.000 1.093 22 F CA -0.442 57.481 58.000 -0.129 0.000 1.003 22 F CB 2.142 41.101 39.000 -0.068 0.000 1.151 22 F HN 0.876 nan 8.300 nan 0.000 0.474 23 A N 1.411 124.353 122.820 0.203 0.000 2.572 23 A HA 0.850 5.172 4.320 0.003 0.000 0.295 23 A C -1.907 175.859 177.584 0.302 0.000 1.072 23 A CA -0.746 51.445 52.037 0.257 0.000 0.691 23 A CB 1.598 20.771 19.000 0.289 0.000 1.291 23 A HN 0.503 nan 8.150 nan 0.000 0.404 24 V N 1.262 121.307 119.914 0.217 0.000 2.531 24 V HA 0.671 4.793 4.120 0.003 0.000 0.301 24 V C 0.673 176.844 176.094 0.128 0.000 1.034 24 V CA -0.349 62.050 62.300 0.166 0.000 0.865 24 V CB 1.332 33.225 31.823 0.117 0.000 0.995 24 V HN 1.466 nan 8.190 nan 0.000 0.424 25 A N 3.361 126.228 122.820 0.078 0.000 2.445 25 A HA 0.803 5.125 4.320 0.003 0.000 0.242 25 A C 0.575 178.201 177.584 0.071 0.000 1.075 25 A CA 0.581 52.651 52.037 0.054 0.000 0.777 25 A CB 0.433 19.420 19.000 -0.022 0.000 1.013 25 A HN 1.438 nan 8.150 nan 0.000 0.493 26 G N 0.412 109.269 108.800 0.095 0.000 2.703 26 G HA2 0.457 4.419 3.960 0.003 0.000 0.294 26 G HA3 0.457 4.419 3.960 0.003 0.000 0.294 26 G C 0.038 175.006 174.900 0.112 0.000 1.451 26 G CA 0.235 45.411 45.100 0.127 0.000 0.869 26 G HN 0.684 nan 8.290 nan 0.000 0.516 27 D N -0.235 120.205 120.400 0.066 0.000 2.190 27 D HA -0.224 4.418 4.640 0.003 0.000 0.200 27 D C 1.264 177.564 176.300 0.000 0.000 0.992 27 D CA 1.436 55.422 54.000 -0.024 0.000 0.854 27 D CB -0.218 40.502 40.800 -0.134 0.000 0.936 27 D HN 0.376 nan 8.370 nan 0.000 0.462 28 Y N 1.004 121.393 120.300 0.148 0.000 2.574 28 Y HA -0.015 4.537 4.550 0.003 0.000 0.294 28 Y C 1.540 177.478 175.900 0.064 0.000 1.142 28 Y CA 1.228 59.380 58.100 0.088 0.000 1.314 28 Y CB -0.419 38.100 38.460 0.099 0.000 0.991 28 Y HN 0.264 nan 8.280 nan 0.000 0.555 29 N N -1.590 117.233 118.700 0.206 0.000 2.143 29 N HA 0.034 4.776 4.740 0.003 0.000 0.222 29 N C 0.891 176.458 175.510 0.096 0.000 1.264 29 N CA 0.167 53.300 53.050 0.139 0.000 0.897 29 N CB -0.865 37.706 38.487 0.140 0.000 1.092 29 N HN 0.241 nan 8.380 nan 0.000 0.516 30 L N 0.021 121.291 121.223 0.078 0.000 2.012 30 L HA -0.085 4.257 4.340 0.003 0.000 0.210 30 L C 1.940 178.836 176.870 0.044 0.000 1.073 30 L CA 1.200 56.072 54.840 0.052 0.000 0.748 30 L CB -0.539 41.537 42.059 0.027 0.000 0.891 30 L HN 0.022 nan 8.230 nan 0.000 0.431 31 V N -0.010 119.927 119.914 0.038 0.000 2.343 31 V HA -0.282 3.840 4.120 0.003 0.000 0.247 31 V C 2.415 178.523 176.094 0.023 0.000 1.051 31 V CA 1.646 63.961 62.300 0.025 0.000 1.036 31 V CB -0.436 31.399 31.823 0.020 0.000 0.654 31 V HN 0.326 nan 8.190 nan 0.000 0.451 32 L N -0.136 121.106 121.223 0.031 0.000 2.012 32 L HA -0.163 4.179 4.340 0.003 0.000 0.210 32 L C 2.228 179.114 176.870 0.027 0.000 1.073 32 L CA 1.922 56.773 54.840 0.019 0.000 0.748 32 L CB -0.610 41.464 42.059 0.024 0.000 0.891 32 L HN 0.206 nan 8.230 nan 0.000 0.431 33 L N -0.551 120.710 121.223 0.064 0.000 2.043 33 L HA -0.258 4.084 4.340 0.003 0.000 0.212 33 L C 2.318 179.239 176.870 0.084 0.000 1.075 33 L CA 1.471 56.373 54.840 0.104 0.000 0.752 33 L CB -1.019 41.123 42.059 0.139 0.000 0.891 33 L HN 0.335 nan 8.230 nan 0.000 0.432 34 D N -0.478 119.954 120.400 0.052 0.000 2.104 34 D HA -0.183 4.459 4.640 0.003 0.000 0.194 34 D C 2.375 178.683 176.300 0.013 0.000 0.994 34 D CA 1.042 55.062 54.000 0.034 0.000 0.830 34 D CB -0.168 40.643 40.800 0.019 0.000 0.959 34 D HN 0.292 nan 8.370 nan 0.000 0.452 35 Q N 0.201 119.997 119.800 -0.007 0.000 2.084 35 Q HA -0.038 4.304 4.340 0.003 0.000 0.202 35 Q C 2.658 178.628 176.000 -0.050 0.000 0.978 35 Q CA 0.538 56.315 55.803 -0.045 0.000 0.844 35 Q CB -0.571 28.127 28.738 -0.067 0.000 0.898 35 Q HN 0.385 nan 8.270 nan 0.000 0.426 36 L N -0.038 121.165 121.223 -0.034 0.000 2.141 36 L HA -0.131 4.211 4.340 0.003 0.000 0.209 36 L C 2.290 179.175 176.870 0.025 0.000 1.094 36 L CA 0.590 55.398 54.840 -0.053 0.000 0.763 36 L CB -0.396 41.597 42.059 -0.109 0.000 0.908 36 L HN 0.149 nan 8.230 nan 0.000 0.437 37 L N -0.590 120.668 121.223 0.059 0.000 2.275 37 L HA -0.187 4.155 4.340 0.003 0.000 0.215 37 L C 2.234 179.119 176.870 0.025 0.000 1.119 37 L CA 0.789 55.666 54.840 0.062 0.000 0.790 37 L CB -0.246 41.856 42.059 0.072 0.000 0.919 37 L HN 0.292 nan 8.230 nan 0.000 0.443 38 L N -0.783 120.442 121.223 0.004 0.000 2.465 38 L HA -0.081 4.261 4.340 0.003 0.000 0.224 38 L C 1.047 177.912 176.870 -0.008 0.000 1.145 38 L CA 0.196 55.032 54.840 -0.006 0.000 0.834 38 L CB -0.389 41.657 42.059 -0.022 0.000 0.944 38 L HN 0.256 nan 8.230 nan 0.000 0.451 39 N N 0.963 119.655 118.700 -0.013 0.000 2.415 39 N HA 0.010 4.752 4.740 0.003 0.000 0.246 39 N C 0.587 176.088 175.510 -0.015 0.000 1.078 39 N CA -0.006 53.035 53.050 -0.015 0.000 0.942 39 N CB 0.974 39.443 38.487 -0.031 0.000 1.140 39 N HN -0.053 nan 8.380 nan 0.000 0.501 40 K N 1.688 122.079 120.400 -0.015 0.000 2.486 40 K HA 0.001 4.323 4.320 0.003 0.000 0.194 40 K C 0.235 176.810 176.600 -0.042 0.000 1.033 40 K CA 0.413 56.686 56.287 -0.024 0.000 1.004 40 K CB 0.338 32.829 32.500 -0.015 0.000 0.798 40 K HN 0.515 nan 8.250 nan 0.000 0.495 41 D N 0.755 121.129 120.400 -0.042 0.000 2.363 41 D HA -0.002 4.640 4.640 0.003 0.000 0.220 41 D C 0.946 177.192 176.300 -0.089 0.000 0.994 41 D CA 0.498 54.465 54.000 -0.055 0.000 0.890 41 D CB 0.175 40.951 40.800 -0.041 0.000 0.906 41 D HN 0.349 nan 8.370 nan 0.000 0.530 42 M N -1.898 117.644 119.600 -0.097 0.000 2.575 42 M HA 0.453 4.935 4.480 0.003 0.000 0.284 42 M C -1.372 174.817 176.300 -0.185 0.000 1.253 42 M CA -0.988 54.213 55.300 -0.165 0.000 0.861 42 M CB 2.850 35.392 32.600 -0.097 0.000 1.733 42 M HN -0.481 nan 8.290 nan 0.000 0.462 43 K N 1.624 121.815 120.400 -0.350 0.000 2.164 43 K HA 0.371 4.693 4.320 0.003 0.000 0.258 43 K C -1.254 175.024 176.600 -0.536 0.000 0.951 43 K CA -0.612 55.469 56.287 -0.343 0.000 0.844 43 K CB 2.335 34.643 32.500 -0.320 0.000 1.099 43 K HN 0.742 nan 8.250 nan 0.000 0.435 44 Q N 3.790 123.254 119.800 -0.559 0.000 2.331 44 Q HA 0.330 4.672 4.340 0.003 0.000 0.257 44 Q C -0.838 174.583 176.000 -0.966 0.000 0.957 44 Q CA -0.578 54.658 55.803 -0.944 0.000 0.923 44 Q CB 0.559 28.996 28.738 -0.501 0.000 1.212 44 Q HN 0.631 nan 8.270 nan 0.000 0.443 45 I N 0.816 120.762 120.570 -1.040 0.000 2.693 45 I HA 0.557 4.729 4.170 0.003 0.000 0.303 45 I C -1.603 174.111 176.117 -0.671 0.000 1.025 45 I CA -0.941 59.808 61.300 -0.918 0.000 1.086 45 I CB 1.392 38.849 38.000 -0.904 0.000 1.268 45 I HN 0.423 nan 8.210 nan 0.000 0.440 46 Y N 3.215 123.644 120.300 0.215 0.000 2.446 46 Y HA 0.711 5.263 4.550 0.003 0.000 0.338 46 Y C 0.018 176.061 175.900 0.238 0.000 1.055 46 Y CA -0.951 57.269 58.100 0.201 0.000 1.101 46 Y CB 1.609 40.156 38.460 0.144 0.000 1.221 46 Y HN 0.678 nan 8.280 nan 0.000 0.460 47 C N 0.020 119.515 119.300 0.325 0.000 2.595 47 C HA 0.380 4.842 4.460 0.003 0.000 0.338 47 C C 1.521 176.570 174.990 0.098 0.000 1.219 47 C CA -0.609 58.517 59.018 0.179 0.000 1.811 47 C CB 1.519 29.363 27.740 0.173 0.000 2.313 47 C HN 1.124 nan 8.230 nan 0.000 0.499 48 C N 1.407 120.716 119.300 0.015 0.000 2.489 48 C HA 0.013 4.475 4.460 0.003 0.000 0.279 48 C C 0.975 175.978 174.990 0.022 0.000 1.266 48 C CA 0.960 59.975 59.018 -0.005 0.000 1.707 48 C CB -1.463 26.243 27.740 -0.057 0.000 2.059 48 C HN 1.009 nan 8.230 nan 0.000 0.481 49 N N -0.560 118.157 118.700 0.028 0.000 2.697 49 N HA 0.303 5.045 4.740 0.003 0.000 0.272 49 N C -0.398 175.137 175.510 0.043 0.000 1.381 49 N CA -0.597 52.476 53.050 0.038 0.000 0.797 49 N CB 0.458 38.968 38.487 0.038 0.000 1.523 49 N HN -0.079 nan 8.380 nan 0.000 0.518 50 E N -0.464 119.757 120.200 0.034 0.000 2.216 50 E HA 0.047 4.399 4.350 0.003 0.000 0.192 50 E C 1.346 177.937 176.600 -0.015 0.000 0.988 50 E CA 0.341 56.754 56.400 0.022 0.000 0.834 50 E CB -0.140 29.570 29.700 0.018 0.000 0.772 50 E HN 0.529 nan 8.360 nan 0.000 0.479 51 L N 1.109 122.329 121.223 -0.006 0.000 1.994 51 L HA -0.176 4.166 4.340 0.003 0.000 0.208 51 L C 1.375 178.232 176.870 -0.022 0.000 1.071 51 L CA 1.781 56.593 54.840 -0.047 0.000 0.745 51 L CB -0.482 41.608 42.059 0.053 0.000 0.892 51 L HN 0.031 nan 8.230 nan 0.000 0.431 52 N N -0.977 117.765 118.700 0.070 0.000 2.149 52 N HA -0.226 4.516 4.740 0.003 0.000 0.188 52 N C 2.032 177.572 175.510 0.051 0.000 1.019 52 N CA 1.508 54.617 53.050 0.099 0.000 0.857 52 N CB -1.160 37.354 38.487 0.044 0.000 0.997 52 N HN 0.553 nan 8.380 nan 0.000 0.426 53 C N 0.445 119.762 119.300 0.027 0.000 2.413 53 C HA -0.017 4.445 4.460 0.003 0.000 0.277 53 C C 2.767 177.720 174.990 -0.062 0.000 1.228 53 C CA 1.369 60.405 59.018 0.030 0.000 1.731 53 C CB -1.300 26.486 27.740 0.076 0.000 2.042 53 C HN 0.530 nan 8.230 nan 0.000 0.468 54 G N -0.812 107.927 108.800 -0.102 0.000 2.446 54 G HA2 -0.182 3.780 3.960 0.003 0.000 0.217 54 G HA3 -0.182 3.780 3.960 0.003 0.000 0.217 54 G C 1.340 176.139 174.900 -0.168 0.000 1.168 54 G CA 0.866 45.859 45.100 -0.178 0.000 0.771 54 G HN 0.483 nan 8.290 nan 0.000 0.551 55 F N 1.750 121.668 119.950 -0.054 0.000 2.293 55 F HA 0.034 4.563 4.527 0.003 0.000 0.300 55 F C 2.980 178.690 175.800 -0.150 0.000 1.086 55 F CA 0.854 58.830 58.000 -0.041 0.000 1.375 55 F CB -0.383 38.612 39.000 -0.009 0.000 1.045 55 F HN 0.086 nan 8.300 nan 0.000 0.516 56 S N -0.078 115.572 115.700 -0.083 0.000 2.368 56 S HA -0.148 4.324 4.470 0.003 0.000 0.224 56 S C 2.426 176.596 174.600 -0.717 0.000 1.029 56 S CA 1.026 58.981 58.200 -0.409 0.000 0.988 56 S CB -0.623 62.252 63.200 -0.541 0.000 0.838 56 S HN 0.353 nan 8.310 nan 0.000 0.462 57 A N 1.617 124.076 122.820 -0.602 0.000 1.902 57 A HA -0.145 4.177 4.320 0.003 0.000 0.217 57 A C 2.091 179.650 177.584 -0.041 0.000 1.181 57 A CA 1.478 53.325 52.037 -0.318 0.000 0.623 57 A CB -0.597 18.341 19.000 -0.102 0.000 0.818 57 A HN 0.455 nan 8.150 nan 0.000 0.443 58 E N -0.104 120.109 120.200 0.021 0.000 2.070 58 E HA -0.192 4.160 4.350 0.003 0.000 0.197 58 E C 2.163 178.857 176.600 0.156 0.000 1.004 58 E CA 1.543 58.032 56.400 0.148 0.000 0.805 58 E CB -0.545 29.350 29.700 0.325 0.000 0.744 58 E HN 0.499 nan 8.360 nan 0.000 0.451 59 G N -0.308 108.542 108.800 0.084 0.000 2.418 59 G HA2 -0.303 3.659 3.960 0.003 0.000 0.217 59 G HA3 -0.303 3.659 3.960 0.003 0.000 0.217 59 G C 1.544 176.473 174.900 0.048 0.000 1.158 59 G CA 0.929 46.050 45.100 0.034 0.000 0.771 59 G HN 0.388 nan 8.290 nan 0.000 0.545 60 Y N 1.852 122.100 120.300 -0.087 0.000 2.181 60 Y HA -0.001 4.551 4.550 0.003 0.000 0.288 60 Y C 2.961 178.881 175.900 0.034 0.000 1.146 60 Y CA 1.373 59.467 58.100 -0.011 0.000 1.164 60 Y CB -0.182 38.339 38.460 0.101 0.000 0.982 60 Y HN 0.256 nan 8.280 nan 0.000 0.515 61 A N 0.389 123.333 122.820 0.205 0.000 1.940 61 A HA -0.232 4.090 4.320 0.003 0.000 0.219 61 A C 2.232 179.846 177.584 0.050 0.000 1.176 61 A CA 1.874 53.988 52.037 0.128 0.000 0.631 61 A CB -0.616 18.454 19.000 0.118 0.000 0.814 61 A HN 0.534 nan 8.150 nan 0.000 0.446 62 R N -0.015 120.524 120.500 0.063 0.000 2.105 62 R HA -0.127 4.215 4.340 0.003 0.000 0.239 62 R C 2.554 178.858 176.300 0.007 0.000 1.135 62 R CA 1.859 57.996 56.100 0.062 0.000 0.967 62 R CB -0.261 30.113 30.300 0.124 0.000 0.861 62 R HN 0.736 nan 8.270 nan 0.000 0.442 63 S N -0.947 114.720 115.700 -0.055 0.000 2.475 63 S HA -0.007 4.465 4.470 0.003 0.000 0.224 63 S C 1.570 176.076 174.600 -0.157 0.000 1.042 63 S CA 0.725 58.867 58.200 -0.096 0.000 0.935 63 S CB 0.008 63.145 63.200 -0.106 0.000 0.801 63 S HN 0.298 nan 8.310 nan 0.000 0.509 64 N N 0.609 119.168 118.700 -0.235 0.000 2.402 64 N HA 0.303 5.045 4.740 0.003 0.000 0.174 64 N C 1.264 176.737 175.510 -0.063 0.000 1.027 64 N CA 1.113 54.040 53.050 -0.205 0.000 0.891 64 N CB 0.349 38.606 38.487 -0.385 0.000 1.016 64 N HN 0.536 nan 8.380 nan 0.000 0.439 65 G N -1.068 107.717 108.800 -0.025 0.000 2.481 65 G HA2 0.092 4.054 3.960 0.003 0.000 0.200 65 G HA3 0.092 4.054 3.960 0.003 0.000 0.200 65 G C 0.025 174.944 174.900 0.031 0.000 1.012 65 G CA -0.011 45.088 45.100 -0.002 0.000 0.676 65 G HN 0.739 nan 8.290 nan 0.000 0.488 66 A N -0.892 121.978 122.820 0.084 0.000 2.581 66 A HA 1.135 5.457 4.320 0.003 0.000 0.290 66 A C -0.402 177.318 177.584 0.227 0.000 1.119 66 A CA 0.505 52.609 52.037 0.111 0.000 0.670 66 A CB 0.850 19.894 19.000 0.074 0.000 1.280 66 A HN 2.236 nan 8.150 nan 0.000 0.425 67 A N -1.138 121.794 122.820 0.186 0.000 2.599 67 A HA 1.021 5.343 4.320 0.003 0.000 0.290 67 A C -0.708 176.946 177.584 0.116 0.000 1.101 67 A CA -0.002 52.164 52.037 0.215 0.000 0.674 67 A CB 0.816 19.977 19.000 0.268 0.000 1.277 67 A HN 2.640 nan 8.150 nan 0.000 0.419 68 A N -0.521 122.368 122.820 0.114 0.000 2.486 68 A HA 0.945 5.267 4.320 0.003 0.000 0.300 68 A C -0.429 177.255 177.584 0.166 0.000 1.048 68 A CA 0.101 52.195 52.037 0.096 0.000 0.696 68 A CB 1.360 20.385 19.000 0.042 0.000 1.278 68 A HN 2.538 nan 8.150 nan 0.000 0.405 69 A N 1.110 124.003 122.820 0.121 0.000 2.414 69 A HA 0.744 5.066 4.320 0.003 0.000 0.306 69 A C -1.110 176.538 177.584 0.108 0.000 1.054 69 A CA -0.504 51.623 52.037 0.150 0.000 0.724 69 A CB 1.514 20.574 19.000 0.100 0.000 1.267 69 A HN 1.374 nan 8.150 nan 0.000 0.418 70 V N 2.885 122.884 119.914 0.142 0.000 2.409 70 V HA 0.634 4.756 4.120 0.003 0.000 0.291 70 V C 0.107 176.272 176.094 0.118 0.000 1.020 70 V CA -0.363 62.004 62.300 0.112 0.000 0.848 70 V CB 0.970 32.874 31.823 0.135 0.000 0.990 70 V HN 1.171 nan 8.190 nan 0.000 0.430 71 V N 1.603 121.572 119.914 0.092 0.000 3.158 71 V HA 0.788 4.910 4.120 0.003 0.000 0.311 71 V C -0.199 175.967 176.094 0.120 0.000 1.181 71 V CA -0.622 61.737 62.300 0.098 0.000 1.054 71 V CB 2.024 33.889 31.823 0.071 0.000 1.085 71 V HN 0.687 nan 8.190 nan 0.000 0.446 72 T N 0.386 115.021 114.554 0.135 0.000 2.934 72 T HA 0.548 4.900 4.350 0.003 0.000 0.283 72 T C -0.598 174.228 174.700 0.210 0.000 1.005 72 T CA -0.328 61.905 62.100 0.221 0.000 1.041 72 T CB 0.665 69.688 68.868 0.257 0.000 1.042 72 T HN 0.687 nan 8.240 nan 0.000 0.505 73 F N 3.077 123.095 119.950 0.114 0.000 2.607 73 F HA 0.216 4.745 4.527 0.003 0.000 0.374 73 F C 1.715 177.534 175.800 0.032 0.000 1.104 73 F CA 1.338 59.322 58.000 -0.027 0.000 1.296 73 F CB -0.304 38.477 39.000 -0.365 0.000 1.085 73 F HN 0.911 nan 8.300 nan 0.000 0.584 74 S N 1.220 116.544 115.700 -0.627 0.000 4.024 74 S HA -0.359 4.113 4.470 0.003 0.000 0.420 74 S C 1.591 176.122 174.600 -0.115 0.000 1.771 74 S CA 2.449 60.448 58.200 -0.334 0.000 4.062 74 S CB -1.829 61.291 63.200 -0.133 0.000 0.800 74 S HN 1.156 nan 8.310 nan 0.000 0.459 75 V N 0.667 120.524 119.914 -0.095 0.000 2.469 75 V HA 0.066 4.188 4.120 0.003 0.000 0.251 75 V C 2.129 178.180 176.094 -0.072 0.000 1.064 75 V CA 2.604 64.840 62.300 -0.106 0.000 1.066 75 V CB -1.528 30.147 31.823 -0.246 0.000 0.667 75 V HN 0.715 nan 8.190 nan 0.000 0.461 76 G N -0.467 108.298 108.800 -0.058 0.000 2.497 76 G HA2 0.153 4.115 3.960 0.003 0.000 0.210 76 G HA3 0.153 4.115 3.960 0.003 0.000 0.210 76 G C 1.710 176.603 174.900 -0.011 0.000 1.177 76 G CA 0.764 45.857 45.100 -0.013 0.000 0.822 76 G HN 0.775 nan 8.290 nan 0.000 0.550 77 A N 0.916 123.720 122.820 -0.026 0.000 1.908 77 A HA -0.001 4.321 4.320 0.003 0.000 0.218 77 A C 2.391 179.961 177.584 -0.022 0.000 1.181 77 A CA 1.396 53.427 52.037 -0.011 0.000 0.627 77 A CB -0.450 18.537 19.000 -0.023 0.000 0.818 77 A HN 0.371 nan 8.150 nan 0.000 0.445 78 I N 0.689 121.234 120.570 -0.042 0.000 2.163 78 I HA -0.284 3.888 4.170 0.003 0.000 0.243 78 I C 2.865 178.980 176.117 -0.003 0.000 1.085 78 I CA 1.780 63.067 61.300 -0.021 0.000 1.347 78 I CB -0.318 37.678 38.000 -0.006 0.000 1.044 78 I HN 0.490 nan 8.210 nan 0.000 0.408 79 S N 1.160 116.860 115.700 -0.000 0.000 2.402 79 S HA -0.058 4.414 4.470 0.003 0.000 0.229 79 S C 2.180 176.758 174.600 -0.036 0.000 1.021 79 S CA 0.713 58.917 58.200 0.007 0.000 0.974 79 S CB -0.556 62.658 63.200 0.023 0.000 0.800 79 S HN 0.420 nan 8.310 nan 0.000 0.484 80 A N 1.889 124.682 122.820 -0.045 0.000 2.019 80 A HA 0.120 4.442 4.320 0.003 0.000 0.219 80 A C 2.212 179.737 177.584 -0.097 0.000 1.164 80 A CA 1.349 53.334 52.037 -0.087 0.000 0.644 80 A CB -0.813 18.164 19.000 -0.038 0.000 0.805 80 A HN 0.554 nan 8.150 nan 0.000 0.449 81 M N -0.415 119.158 119.600 -0.045 0.000 2.358 81 M HA -0.139 4.343 4.480 0.003 0.000 0.264 81 M C 2.025 178.308 176.300 -0.028 0.000 1.064 81 M CA 1.038 56.316 55.300 -0.038 0.000 1.093 81 M CB -0.351 32.237 32.600 -0.021 0.000 1.401 81 M HN 0.507 nan 8.290 nan 0.000 0.440 82 N N 0.941 119.641 118.700 0.001 0.000 2.084 82 N HA -0.097 4.645 4.740 0.003 0.000 0.190 82 N C 1.599 177.069 175.510 -0.065 0.000 1.030 82 N CA 1.883 55.015 53.050 0.136 0.000 0.849 82 N CB -0.052 38.531 38.487 0.160 0.000 1.012 82 N HN 0.333 nan 8.380 nan 0.000 0.423 83 A N 1.367 123.931 122.820 -0.428 0.000 1.930 83 A HA -0.027 4.295 4.320 0.003 0.000 0.217 83 A C 2.550 179.905 177.584 -0.380 0.000 1.175 83 A CA 0.711 52.317 52.037 -0.719 0.000 0.627 83 A CB -0.714 17.762 19.000 -0.874 0.000 0.815 83 A HN 0.346 nan 8.150 nan 0.000 0.443 84 L N -0.705 120.368 121.223 -0.249 0.000 2.012 84 L HA -0.193 4.148 4.340 0.003 0.000 0.210 84 L C 2.832 179.549 176.870 -0.254 0.000 1.073 84 L CA 1.443 56.183 54.840 -0.166 0.000 0.748 84 L CB -0.903 41.112 42.059 -0.073 0.000 0.891 84 L HN 0.520 nan 8.230 nan 0.000 0.431 85 G N -0.701 107.873 108.800 -0.377 0.000 2.440 85 G HA2 -0.236 3.726 3.960 0.003 0.000 0.218 85 G HA3 -0.236 3.726 3.960 0.003 0.000 0.218 85 G C 1.519 175.620 174.900 -1.332 0.000 1.154 85 G CA 0.784 45.466 45.100 -0.697 0.000 0.767 85 G HN 0.521 nan 8.290 nan 0.000 0.552 86 G N 1.186 109.017 108.800 -1.615 0.000 2.446 86 G HA2 -0.016 3.946 3.960 0.003 0.000 0.217 86 G HA3 -0.016 3.946 3.960 0.003 0.000 0.217 86 G C 2.075 176.692 174.900 -0.472 0.000 1.168 86 G CA 1.644 45.916 45.100 -1.380 0.000 0.771 86 G HN 0.684 nan 8.290 nan 0.000 0.551 87 A N -0.358 122.300 122.820 -0.270 0.000 1.933 87 A HA -0.037 4.285 4.320 0.003 0.000 0.218 87 A C 2.230 179.757 177.584 -0.096 0.000 1.175 87 A CA 1.721 53.695 52.037 -0.104 0.000 0.628 87 A CB -0.626 18.337 19.000 -0.061 0.000 0.814 87 A HN 0.447 nan 8.150 nan 0.000 0.444 88 Y N 0.402 120.561 120.300 -0.236 0.000 2.145 88 Y HA -0.080 4.473 4.550 0.004 0.000 0.286 88 Y C 2.744 178.562 175.900 -0.137 0.000 1.145 88 Y CA 1.169 59.169 58.100 -0.167 0.000 1.148 88 Y CB -0.514 37.842 38.460 -0.174 0.000 0.981 88 Y HN 0.315 nan 8.280 nan 0.000 0.507 89 A N -0.158 122.688 122.820 0.043 0.000 1.940 89 A HA -0.156 4.166 4.320 0.003 0.000 0.219 89 A C 1.762 179.363 177.584 0.028 0.000 1.176 89 A CA 1.928 54.013 52.037 0.081 0.000 0.631 89 A CB -0.407 18.673 19.000 0.133 0.000 0.814 89 A HN 0.472 nan 8.150 nan 0.000 0.446 90 E N 0.270 120.455 120.200 -0.025 0.000 2.444 90 E HA 0.047 4.399 4.350 0.003 0.000 0.191 90 E C -0.545 176.039 176.600 -0.027 0.000 1.041 90 E CA -0.236 56.154 56.400 -0.016 0.000 0.883 90 E CB -0.276 29.421 29.700 -0.005 0.000 1.024 90 E HN 0.588 nan 8.360 nan 0.000 0.470 91 N N 0.761 119.416 118.700 -0.075 0.000 2.714 91 N HA -0.210 4.532 4.740 0.003 0.000 0.253 91 N C -0.749 174.711 175.510 -0.083 0.000 1.024 91 N CA 0.648 53.630 53.050 -0.113 0.000 0.726 91 N CB -1.481 36.953 38.487 -0.088 0.000 0.908 91 N HN 0.224 nan 8.380 nan 0.000 0.542 92 L N 0.746 121.925 121.223 -0.072 0.000 2.349 92 L HA 0.415 4.757 4.340 0.003 0.000 0.278 92 L C -1.980 174.866 176.870 -0.040 0.000 0.996 92 L CA -1.689 53.133 54.840 -0.030 0.000 0.825 92 L CB 2.248 44.321 42.059 0.023 0.000 1.243 92 L HN -0.180 nan 8.230 nan 0.000 0.412 93 P HA 0.088 nan 4.420 nan 0.000 0.244 93 P C -0.384 176.924 177.300 0.013 0.000 1.769 93 P CA -0.074 63.011 63.100 -0.024 0.000 1.102 93 P CB 0.325 32.010 31.700 -0.026 0.000 1.937 94 V N 4.912 124.834 119.914 0.014 0.000 2.546 94 V HA 0.212 4.334 4.120 0.003 0.000 0.284 94 V C 0.926 177.035 176.094 0.025 0.000 1.050 94 V CA -0.383 61.936 62.300 0.031 0.000 0.981 94 V CB 1.109 32.944 31.823 0.020 0.000 0.990 94 V HN 0.276 nan 8.190 nan 0.000 0.474 95 I N 5.524 126.112 120.570 0.031 0.000 2.330 95 I HA 0.318 4.490 4.170 0.003 0.000 0.289 95 I C -0.405 175.723 176.117 0.019 0.000 1.001 95 I CA -0.365 60.947 61.300 0.020 0.000 1.193 95 I CB 1.464 39.468 38.000 0.007 0.000 1.345 95 I HN 0.428 nan 8.210 nan 0.000 0.461 96 L N 8.878 130.115 121.223 0.023 0.000 2.265 96 L HA 0.529 4.871 4.340 0.003 0.000 0.288 96 L C -0.733 176.088 176.870 -0.081 0.000 1.058 96 L CA 0.117 54.965 54.840 0.013 0.000 0.809 96 L CB 0.551 42.655 42.059 0.074 0.000 1.179 96 L HN 0.387 nan 8.230 nan 0.000 0.429 97 I N 4.401 124.926 120.570 -0.075 0.000 2.330 97 I HA 0.374 4.546 4.170 0.003 0.000 0.289 97 I C 0.191 176.251 176.117 -0.095 0.000 1.001 97 I CA 0.098 61.315 61.300 -0.138 0.000 1.193 97 I CB 1.641 39.591 38.000 -0.084 0.000 1.345 97 I HN 0.592 nan 8.210 nan 0.000 0.461 98 S N 4.003 119.604 115.700 -0.165 0.000 2.525 98 S HA 0.738 5.210 4.470 0.003 0.000 0.290 98 S C 0.283 174.896 174.600 0.022 0.000 1.152 98 S CA -0.648 57.541 58.200 -0.019 0.000 1.072 98 S CB 0.989 64.219 63.200 0.050 0.000 1.027 98 S HN 0.787 nan 8.310 nan 0.000 0.500 99 G N 2.007 110.867 108.800 0.099 0.000 2.544 99 G HA2 0.553 4.515 3.960 0.003 0.000 0.242 99 G HA3 0.553 4.515 3.960 0.003 0.000 0.242 99 G C -0.272 174.662 174.900 0.056 0.000 1.247 99 G CA 0.092 45.260 45.100 0.114 0.000 0.840 99 G HN 1.066 nan 8.290 nan 0.000 0.578 100 A N 2.659 125.407 122.820 -0.120 0.000 2.566 100 A HA 0.897 5.219 4.320 0.003 0.000 0.292 100 A C -2.824 174.367 177.584 -0.655 0.000 1.112 100 A CA -1.490 50.243 52.037 -0.507 0.000 0.707 100 A CB 1.533 20.368 19.000 -0.274 0.000 1.302 100 A HN 0.517 nan 8.150 nan 0.000 0.409 101 P HA -0.016 nan 4.420 nan 0.000 0.267 101 P C -0.296 176.890 177.300 -0.190 0.000 1.201 101 P CA -0.246 62.478 63.100 -0.627 0.000 0.775 101 P CB 0.354 31.474 31.700 -0.966 0.000 0.854 102 N N 1.291 119.982 118.700 -0.015 0.000 2.357 102 N HA -0.090 4.652 4.740 0.003 0.000 0.257 102 N C 1.188 176.714 175.510 0.027 0.000 1.250 102 N CA 0.695 53.761 53.050 0.026 0.000 0.862 102 N CB 0.516 39.039 38.487 0.060 0.000 1.066 102 N HN 0.359 nan 8.380 nan 0.000 0.468 103 S N 3.026 118.741 115.700 0.024 0.000 2.442 103 S HA -0.089 4.383 4.470 0.003 0.000 0.236 103 S C 1.128 175.751 174.600 0.037 0.000 1.007 103 S CA 0.639 58.856 58.200 0.029 0.000 0.965 103 S CB -0.050 63.159 63.200 0.015 0.000 0.773 103 S HN 0.633 nan 8.310 nan 0.000 0.504 104 N N 1.607 120.332 118.700 0.043 0.000 2.515 104 N HA -0.003 4.739 4.740 0.003 0.000 0.185 104 N C 0.479 176.025 175.510 0.060 0.000 1.109 104 N CA 0.841 53.917 53.050 0.043 0.000 0.903 104 N CB -0.197 38.319 38.487 0.047 0.000 0.969 104 N HN 0.494 nan 8.380 nan 0.000 0.450 105 D N 0.737 121.197 120.400 0.101 0.000 2.323 105 D HA -0.048 4.594 4.640 0.003 0.000 0.209 105 D C 0.670 177.035 176.300 0.108 0.000 0.973 105 D CA 0.365 54.457 54.000 0.153 0.000 0.874 105 D CB 0.168 41.098 40.800 0.217 0.000 0.930 105 D HN 0.250 nan 8.370 nan 0.000 0.521 106 Q N -0.156 119.696 119.800 0.087 0.000 2.274 106 Q HA 0.281 4.623 4.340 0.003 0.000 0.280 106 Q C 0.927 176.892 176.000 -0.058 0.000 1.047 106 Q CA 0.841 56.646 55.803 0.004 0.000 0.907 106 Q CB 0.402 29.133 28.738 -0.011 0.000 1.171 106 Q HN 0.298 nan 8.270 nan 0.000 0.381 107 G N 2.489 111.230 108.800 -0.098 0.000 2.153 107 G HA2 -0.318 3.644 3.960 0.003 0.000 0.252 107 G HA3 -0.318 3.644 3.960 0.003 0.000 0.252 107 G C 0.542 175.380 174.900 -0.103 0.000 0.994 107 G CA 0.780 45.824 45.100 -0.093 0.000 0.698 107 G HN 0.791 nan 8.290 nan 0.000 0.521 108 T N -3.485 110.981 114.554 -0.146 0.000 3.014 108 T HA 0.449 4.801 4.350 0.003 0.000 0.250 108 T C 2.321 176.889 174.700 -0.221 0.000 1.060 108 T CA 1.501 63.442 62.100 -0.266 0.000 1.040 108 T CB 0.527 69.042 68.868 -0.589 0.000 0.971 108 T HN 2.106 nan 8.240 nan 0.000 0.497 109 G N 1.240 109.982 108.800 -0.096 0.000 2.159 109 G HA2 -0.239 3.723 3.960 0.003 0.000 0.256 109 G HA3 -0.239 3.723 3.960 0.003 0.000 0.256 109 G C -0.108 174.862 174.900 0.116 0.000 0.977 109 G CA 0.059 45.163 45.100 0.007 0.000 0.652 109 G HN 0.791 nan 8.290 nan 0.000 0.531 110 H N -0.309 118.811 119.070 0.083 0.000 2.848 110 H HA 0.410 4.968 4.556 0.003 0.000 0.341 110 H C 0.838 176.242 175.328 0.126 0.000 1.060 110 H CA -0.276 55.828 56.048 0.093 0.000 1.444 110 H CB 0.777 30.594 29.762 0.091 0.000 1.446 110 H HN 0.256 nan 8.280 nan 0.000 0.583 111 I N 4.935 125.641 120.570 0.227 0.000 2.365 111 I HA 0.115 4.287 4.170 0.003 0.000 0.291 111 I C -0.238 175.965 176.117 0.143 0.000 1.004 111 I CA -0.070 61.338 61.300 0.180 0.000 1.311 111 I CB 0.740 38.820 38.000 0.134 0.000 1.401 111 I HN 0.277 nan 8.210 nan 0.000 0.491 112 L N 5.470 126.772 121.223 0.131 0.000 2.333 112 L HA 0.446 4.788 4.340 0.003 0.000 0.269 112 L C 0.207 177.129 176.870 0.085 0.000 1.010 112 L CA -1.082 53.798 54.840 0.066 0.000 0.818 112 L CB 1.415 43.421 42.059 -0.089 0.000 1.306 112 L HN 0.597 nan 8.230 nan 0.000 0.430 113 H N 0.731 119.828 119.070 0.046 0.000 2.771 113 H HA 0.048 4.606 4.556 0.003 0.000 0.364 113 H C -0.288 175.129 175.328 0.147 0.000 1.133 113 H CA -0.040 56.002 56.048 -0.010 0.000 1.423 113 H CB 0.440 30.059 29.762 -0.238 0.000 1.425 113 H HN 0.708 nan 8.280 nan 0.000 0.606 114 H N -1.139 118.092 119.070 0.268 0.000 2.992 114 H HA -0.179 4.379 4.556 0.003 0.000 0.266 114 H C 0.202 175.710 175.328 0.300 0.000 1.200 114 H CA 1.125 57.339 56.048 0.276 0.000 1.135 114 H CB -2.291 27.694 29.762 0.372 0.000 1.282 114 H HN 0.977 nan 8.280 nan 0.000 0.351 115 T N -2.629 112.149 114.554 0.372 0.000 2.926 115 T HA 0.609 4.961 4.350 0.003 0.000 0.289 115 T C 1.738 176.589 174.700 0.251 0.000 1.054 115 T CA -0.528 61.826 62.100 0.424 0.000 1.015 115 T CB 1.734 70.866 68.868 0.440 0.000 1.167 115 T HN 0.233 nan 8.240 nan 0.000 0.526 116 I N -1.462 119.193 120.570 0.143 0.000 3.334 116 I HA 0.415 4.587 4.170 0.003 0.000 0.282 116 I C 1.500 177.648 176.117 0.051 0.000 1.313 116 I CA 0.444 61.737 61.300 -0.012 0.000 1.396 116 I CB -0.919 36.930 38.000 -0.250 0.000 1.054 116 I HN 1.050 nan 8.210 nan 0.000 0.495 117 G N 1.113 109.987 108.800 0.124 0.000 2.179 117 G HA2 -0.218 3.744 3.960 0.003 0.000 0.220 117 G HA3 -0.218 3.744 3.960 0.003 0.000 0.220 117 G C 0.178 175.147 174.900 0.115 0.000 0.990 117 G CA -0.147 45.022 45.100 0.114 0.000 0.646 117 G HN 0.475 nan 8.290 nan 0.000 0.517 118 K N -0.076 120.406 120.400 0.136 0.000 2.148 118 K HA 0.554 4.875 4.320 0.003 0.000 0.239 118 K C 2.012 178.713 176.600 0.168 0.000 1.018 118 K CA 0.109 56.472 56.287 0.126 0.000 0.923 118 K CB 0.646 33.211 32.500 0.108 0.000 1.117 118 K HN 0.183 nan 8.250 nan 0.000 0.477 119 T N -2.553 112.076 114.554 0.125 0.000 2.995 119 T HA -0.100 4.252 4.350 0.003 0.000 0.269 119 T C 0.497 175.258 174.700 0.101 0.000 1.091 119 T CA 0.700 62.872 62.100 0.120 0.000 1.128 119 T CB -0.181 68.726 68.868 0.065 0.000 0.891 119 T HN 0.662 nan 8.240 nan 0.000 0.492 120 D N 0.374 120.819 120.400 0.076 0.000 2.414 120 D HA 0.229 4.871 4.640 0.003 0.000 0.241 120 D C -0.737 175.621 176.300 0.098 0.000 1.008 120 D CA -1.247 52.701 54.000 -0.086 0.000 1.001 120 D CB 1.477 42.214 40.800 -0.105 0.000 1.277 120 D HN 0.508 nan 8.370 nan 0.000 0.538 121 Y N -1.495 118.883 120.300 0.131 0.000 2.919 121 Y HA 0.290 4.842 4.550 0.003 0.000 0.245 121 Y C 0.517 176.400 175.900 -0.028 0.000 0.959 121 Y CA -0.519 57.674 58.100 0.156 0.000 1.118 121 Y CB -0.248 38.301 38.460 0.147 0.000 1.224 121 Y HN 0.214 nan 8.280 nan 0.000 0.658 122 S N -1.202 114.496 115.700 -0.004 0.000 2.603 122 S HA -0.092 4.380 4.470 0.003 0.000 0.220 122 S C 1.337 175.938 174.600 0.001 0.000 0.967 122 S CA 0.442 58.635 58.200 -0.012 0.000 0.920 122 S CB -1.084 62.094 63.200 -0.036 0.000 0.773 122 S HN 0.715 nan 8.310 nan 0.000 0.529 123 Y N 1.194 121.556 120.300 0.104 0.000 2.293 123 Y HA -0.013 4.540 4.550 0.004 0.000 0.291 123 Y C 2.401 178.294 175.900 -0.011 0.000 1.137 123 Y CA 1.040 59.163 58.100 0.039 0.000 1.202 123 Y CB -0.755 37.731 38.460 0.042 0.000 0.990 123 Y HN 0.341 nan 8.280 nan 0.000 0.537 124 Q N 0.670 120.175 119.800 -0.492 0.000 2.050 124 Q HA -0.196 4.146 4.340 0.003 0.000 0.202 124 Q C 2.236 178.068 176.000 -0.280 0.000 0.980 124 Q CA 1.894 57.477 55.803 -0.366 0.000 0.840 124 Q CB -0.257 28.122 28.738 -0.598 0.000 0.898 124 Q HN 0.575 nan 8.270 nan 0.000 0.424 125 L N 1.196 122.301 121.223 -0.197 0.000 2.042 125 L HA -0.176 4.166 4.340 0.003 0.000 0.210 125 L C 2.023 178.766 176.870 -0.213 0.000 1.076 125 L CA 1.879 56.569 54.840 -0.251 0.000 0.749 125 L CB -0.490 41.557 42.059 -0.020 0.000 0.893 125 L HN 0.215 nan 8.230 nan 0.000 0.432 126 E N -0.558 119.581 120.200 -0.102 0.000 2.110 126 E HA -0.223 4.129 4.350 0.003 0.000 0.193 126 E C 2.182 178.734 176.600 -0.081 0.000 0.988 126 E CA 1.740 58.103 56.400 -0.061 0.000 0.804 126 E CB -0.302 29.397 29.700 -0.003 0.000 0.745 126 E HN 0.600 nan 8.360 nan 0.000 0.458 127 M N -0.033 119.513 119.600 -0.091 0.000 2.132 127 M HA -0.076 4.406 4.480 0.003 0.000 0.263 127 M C 2.371 178.577 176.300 -0.156 0.000 1.065 127 M CA 1.428 56.676 55.300 -0.087 0.000 1.122 127 M CB -0.227 32.345 32.600 -0.047 0.000 1.365 127 M HN 0.034 nan 8.290 nan 0.000 0.411 128 A N 0.468 123.110 122.820 -0.297 0.000 1.933 128 A HA -0.145 4.177 4.320 0.003 0.000 0.218 128 A C 2.143 179.594 177.584 -0.222 0.000 1.175 128 A CA 1.421 53.230 52.037 -0.380 0.000 0.628 128 A CB -0.620 17.781 19.000 -0.997 0.000 0.814 128 A HN 0.415 nan 8.150 nan 0.000 0.444 129 R N -1.127 119.265 120.500 -0.181 0.000 2.105 129 R HA -0.181 4.161 4.340 0.003 0.000 0.239 129 R C 2.266 178.519 176.300 -0.079 0.000 1.135 129 R CA 1.540 57.588 56.100 -0.087 0.000 0.967 129 R CB -0.264 30.000 30.300 -0.060 0.000 0.861 129 R HN 0.466 nan 8.270 nan 0.000 0.442 130 Q N -0.011 119.732 119.800 -0.095 0.000 2.181 130 Q HA -0.109 4.233 4.340 0.003 0.000 0.205 130 Q C 1.619 177.518 176.000 -0.168 0.000 0.980 130 Q CA 1.408 57.149 55.803 -0.103 0.000 0.862 130 Q CB 0.180 28.873 28.738 -0.075 0.000 0.905 130 Q HN 0.394 nan 8.270 nan 0.000 0.429 131 V N -3.340 116.481 119.914 -0.155 0.000 3.070 131 V HA 0.444 4.566 4.120 0.003 0.000 0.345 131 V C 0.028 176.082 176.094 -0.068 0.000 1.403 131 V CA 0.165 62.340 62.300 -0.208 0.000 1.155 131 V CB 0.022 31.763 31.823 -0.138 0.000 1.140 131 V HN 0.146 nan 8.190 nan 0.000 0.505 132 T N -2.931 111.633 114.554 0.018 0.000 2.883 132 T HA 0.389 4.741 4.350 0.003 0.000 0.296 132 T C 0.775 175.629 174.700 0.256 0.000 1.117 132 T CA 0.112 62.326 62.100 0.191 0.000 1.006 132 T CB 1.366 70.302 68.868 0.114 0.000 1.191 132 T HN 0.524 nan 8.240 nan 0.000 0.508 133 C N -0.152 119.282 119.300 0.223 0.000 2.673 133 C HA 0.770 5.232 4.460 0.003 0.000 0.264 133 C C 0.933 175.974 174.990 0.085 0.000 1.304 133 C CA 0.081 59.189 59.018 0.150 0.000 1.727 133 C CB -1.620 26.146 27.740 0.044 0.000 1.932 133 C HN 1.184 nan 8.230 nan 0.000 0.563 134 A N 0.060 122.929 122.820 0.082 0.000 2.566 134 A HA 0.828 5.150 4.320 0.003 0.000 0.297 134 A C -0.991 176.680 177.584 0.146 0.000 1.059 134 A CA 0.444 52.537 52.037 0.092 0.000 0.691 134 A CB 0.670 19.634 19.000 -0.061 0.000 1.282 134 A HN 1.698 nan 8.150 nan 0.000 0.401 135 A N 1.952 124.888 122.820 0.194 0.000 2.485 135 A HA 0.730 5.052 4.320 0.003 0.000 0.285 135 A C -1.214 176.525 177.584 0.258 0.000 1.045 135 A CA -0.374 51.824 52.037 0.269 0.000 0.792 135 A CB 1.118 20.211 19.000 0.155 0.000 1.307 135 A HN 0.641 nan 8.150 nan 0.000 0.406 136 E N 0.539 120.906 120.200 0.277 0.000 2.343 136 E HA 0.598 4.950 4.350 0.003 0.000 0.270 136 E C -1.113 175.584 176.600 0.162 0.000 0.895 136 E CA -0.574 55.934 56.400 0.181 0.000 0.767 136 E CB 2.262 32.044 29.700 0.136 0.000 1.248 136 E HN 0.436 nan 8.360 nan 0.000 0.440 137 S N 1.921 117.694 115.700 0.121 0.000 2.530 137 S HA 0.522 4.994 4.470 0.003 0.000 0.322 137 S C -0.465 174.160 174.600 0.041 0.000 1.085 137 S CA -0.579 57.679 58.200 0.097 0.000 1.096 137 S CB 0.071 63.343 63.200 0.120 0.000 0.988 137 S HN 0.350 nan 8.310 nan 0.000 0.466 138 I N 4.168 124.745 120.570 0.012 0.000 2.325 138 I HA 0.288 4.460 4.170 0.003 0.000 0.291 138 I C 1.030 177.145 176.117 -0.003 0.000 1.019 138 I CA -0.098 61.200 61.300 -0.003 0.000 1.302 138 I CB 1.682 39.668 38.000 -0.023 0.000 1.401 138 I HN 0.596 nan 8.210 nan 0.000 0.485 139 T N 3.734 118.289 114.554 0.001 0.000 3.087 139 T HA 0.101 4.453 4.350 0.003 0.000 0.283 139 T C -0.476 174.227 174.700 0.004 0.000 0.956 139 T CA -0.192 61.910 62.100 0.003 0.000 0.894 139 T CB -0.109 68.763 68.868 0.007 0.000 1.160 139 T HN 0.832 nan 8.240 nan 0.000 0.532 140 D N -0.687 119.716 120.400 0.005 0.000 2.655 140 D HA 0.424 5.066 4.640 0.003 0.000 0.229 140 D C 0.719 177.025 176.300 0.010 0.000 1.229 140 D CA -0.464 53.544 54.000 0.013 0.000 0.807 140 D CB 1.484 42.300 40.800 0.025 0.000 1.514 140 D HN -0.046 nan 8.370 nan 0.000 0.444 141 A N 0.649 123.480 122.820 0.017 0.000 1.968 141 A HA -0.195 4.127 4.320 0.003 0.000 0.217 141 A C 1.958 179.537 177.584 -0.008 0.000 1.169 141 A CA 1.296 53.331 52.037 -0.004 0.000 0.638 141 A CB -1.014 17.991 19.000 0.008 0.000 0.812 141 A HN 0.792 nan 8.150 nan 0.000 0.446 142 H N 0.979 120.020 119.070 -0.049 0.000 2.321 142 H HA -0.110 4.448 4.556 0.003 0.000 0.300 142 H C 2.150 177.439 175.328 -0.065 0.000 1.087 142 H CA 2.073 58.091 56.048 -0.050 0.000 1.319 142 H CB 0.046 29.789 29.762 -0.032 0.000 1.379 142 H HN 0.567 nan 8.280 nan 0.000 0.501 143 S N -0.038 115.670 115.700 0.014 0.000 2.593 143 S HA 0.212 4.684 4.470 0.003 0.000 0.217 143 S C 2.191 176.732 174.600 -0.098 0.000 0.966 143 S CA 0.349 58.524 58.200 -0.042 0.000 0.914 143 S CB 0.055 63.276 63.200 0.034 0.000 0.776 143 S HN 0.515 nan 8.310 nan 0.000 0.523 144 A N 3.357 126.100 122.820 -0.128 0.000 1.865 144 A HA 0.072 4.394 4.320 0.003 0.000 0.217 144 A C 0.080 177.510 177.584 -0.256 0.000 1.191 144 A CA 1.522 53.463 52.037 -0.160 0.000 0.623 144 A CB -1.874 17.027 19.000 -0.165 0.000 0.826 144 A HN 0.521 nan 8.150 nan 0.000 0.444 145 P HA -0.185 nan 4.420 nan 0.000 0.214 145 P C 1.800 179.020 177.300 -0.134 0.000 1.163 145 P CA 2.187 64.953 63.100 -0.556 0.000 0.889 145 P CB -0.180 31.200 31.700 -0.532 0.000 0.790 146 A N -0.212 122.547 122.820 -0.103 0.000 1.908 146 A HA -0.249 4.073 4.320 0.003 0.000 0.218 146 A C 2.116 179.724 177.584 0.039 0.000 1.181 146 A CA 1.912 53.939 52.037 -0.017 0.000 0.627 146 A CB -1.084 17.890 19.000 -0.042 0.000 0.818 146 A HN 0.152 nan 8.150 nan 0.000 0.445 147 K N -0.621 119.789 120.400 0.016 0.000 2.025 147 K HA -0.029 4.293 4.320 0.003 0.000 0.207 147 K C 1.885 178.549 176.600 0.106 0.000 1.049 147 K CA 1.441 57.769 56.287 0.068 0.000 0.933 147 K CB -0.377 32.141 32.500 0.031 0.000 0.714 147 K HN 0.521 nan 8.250 nan 0.000 0.438 148 I N 1.705 122.318 120.570 0.073 0.000 2.127 148 I HA -0.306 3.866 4.170 0.003 0.000 0.241 148 I C 1.694 177.891 176.117 0.133 0.000 1.075 148 I CA 1.402 62.769 61.300 0.111 0.000 1.334 148 I CB -0.312 37.798 38.000 0.185 0.000 1.040 148 I HN 0.125 nan 8.210 nan 0.000 0.405 149 D N -0.569 119.930 120.400 0.166 0.000 2.144 149 D HA -0.235 4.407 4.640 0.003 0.000 0.199 149 D C 1.976 178.343 176.300 0.113 0.000 0.984 149 D CA 1.366 55.450 54.000 0.139 0.000 0.834 149 D CB -0.402 40.488 40.800 0.151 0.000 0.955 149 D HN 0.433 nan 8.370 nan 0.000 0.465 150 H N 0.525 119.620 119.070 0.043 0.000 2.321 150 H HA -0.107 4.450 4.556 0.003 0.000 0.300 150 H C 2.018 177.367 175.328 0.034 0.000 1.087 150 H CA 2.501 58.568 56.048 0.033 0.000 1.319 150 H CB -0.292 29.487 29.762 0.028 0.000 1.379 150 H HN 0.062 nan 8.280 nan 0.000 0.501 151 V N -0.781 119.090 119.914 -0.071 0.000 2.358 151 V HA -0.158 3.964 4.120 0.003 0.000 0.246 151 V C 2.399 178.433 176.094 -0.101 0.000 1.047 151 V CA 1.981 64.207 62.300 -0.123 0.000 1.035 151 V CB -0.864 30.963 31.823 0.006 0.000 0.658 151 V HN 0.469 nan 8.190 nan 0.000 0.452 152 I N -0.030 120.516 120.570 -0.040 0.000 2.142 152 I HA -0.183 3.989 4.170 0.003 0.000 0.240 152 I C 3.152 179.242 176.117 -0.046 0.000 1.078 152 I CA 2.080 63.363 61.300 -0.028 0.000 1.343 152 I CB -0.459 37.541 38.000 -0.001 0.000 1.046 152 I HN 0.212 nan 8.210 nan 0.000 0.405 153 R N 0.037 120.508 120.500 -0.048 0.000 2.096 153 R HA -0.122 4.220 4.340 0.003 0.000 0.235 153 R C 2.330 178.584 176.300 -0.078 0.000 1.127 153 R CA 1.946 58.019 56.100 -0.045 0.000 0.968 153 R CB -0.559 29.732 30.300 -0.015 0.000 0.861 153 R HN 0.390 nan 8.270 nan 0.000 0.440 154 T N 0.910 115.373 114.554 -0.152 0.000 2.737 154 T HA -0.106 4.246 4.350 0.003 0.000 0.265 154 T C 1.965 176.599 174.700 -0.110 0.000 1.038 154 T CA 1.324 63.327 62.100 -0.161 0.000 1.144 154 T CB -0.262 68.424 68.868 -0.303 0.000 0.866 154 T HN 0.348 nan 8.240 nan 0.000 0.434 155 A N 1.542 124.302 122.820 -0.101 0.000 1.873 155 A HA -0.067 4.255 4.320 0.003 0.000 0.218 155 A C 2.332 179.876 177.584 -0.067 0.000 1.193 155 A CA 1.454 53.447 52.037 -0.074 0.000 0.629 155 A CB -0.994 17.977 19.000 -0.049 0.000 0.826 155 A HN 0.479 nan 8.150 nan 0.000 0.447 156 L N -1.319 119.872 121.223 -0.052 0.000 2.093 156 L HA -0.155 4.187 4.340 0.003 0.000 0.208 156 L C 2.815 179.657 176.870 -0.046 0.000 1.085 156 L CA 1.732 56.547 54.840 -0.041 0.000 0.755 156 L CB -0.479 41.563 42.059 -0.027 0.000 0.904 156 L HN 0.513 nan 8.230 nan 0.000 0.435 157 R N 0.517 120.988 120.500 -0.049 0.000 2.075 157 R HA -0.140 4.202 4.340 0.003 0.000 0.232 157 R C 1.861 178.127 176.300 -0.057 0.000 1.126 157 R CA 1.398 57.472 56.100 -0.044 0.000 0.963 157 R CB 0.027 30.305 30.300 -0.036 0.000 0.858 157 R HN 0.364 nan 8.270 nan 0.000 0.435 158 E N -0.037 120.118 120.200 -0.074 0.000 2.474 158 E HA 0.014 4.366 4.350 0.003 0.000 0.194 158 E C -0.399 176.125 176.600 -0.127 0.000 1.041 158 E CA -0.148 56.194 56.400 -0.096 0.000 0.874 158 E CB 0.482 30.119 29.700 -0.104 0.000 0.914 158 E HN 0.126 nan 8.360 nan 0.000 0.498 159 R N 1.331 121.765 120.500 -0.110 0.000 3.264 159 R HA -0.150 4.192 4.340 0.003 0.000 0.251 159 R C -0.918 175.269 176.300 -0.188 0.000 0.971 159 R CA 0.706 56.735 56.100 -0.119 0.000 0.658 159 R CB -1.272 28.966 30.300 -0.103 0.000 1.095 159 R HN -0.030 nan 8.270 nan 0.000 0.443 160 K N -0.416 119.862 120.400 -0.202 0.000 2.482 160 K HA 0.532 4.854 4.320 0.003 0.000 0.257 160 K C -2.612 173.903 176.600 -0.141 0.000 0.969 160 K CA -2.191 53.916 56.287 -0.300 0.000 0.842 160 K CB 2.100 34.315 32.500 -0.474 0.000 1.359 160 K HN -0.149 nan 8.250 nan 0.000 0.441 161 P HA 0.310 nan 4.420 nan 0.000 0.274 161 P C -1.118 176.206 177.300 0.040 0.000 1.246 161 P CA -0.349 62.750 63.100 -0.002 0.000 0.795 161 P CB 0.996 32.709 31.700 0.020 0.000 1.006 162 A N 1.131 123.980 122.820 0.050 0.000 2.532 162 A HA 0.680 5.002 4.320 0.003 0.000 0.290 162 A C -1.915 175.752 177.584 0.139 0.000 1.143 162 A CA -0.625 51.461 52.037 0.083 0.000 0.728 162 A CB 1.326 20.344 19.000 0.029 0.000 1.317 162 A HN 0.594 nan 8.150 nan 0.000 0.414 163 Y N 0.144 120.454 120.300 0.017 0.000 2.462 163 Y HA 0.769 5.321 4.550 0.004 0.000 0.346 163 Y C -1.530 174.388 175.900 0.030 0.000 0.976 163 Y CA -0.951 57.160 58.100 0.018 0.000 1.044 163 Y CB 1.544 40.012 38.460 0.014 0.000 1.230 163 Y HN 0.678 nan 8.280 nan 0.000 0.455 164 L N 5.339 126.160 121.223 -0.670 0.000 2.408 164 L HA 0.394 4.736 4.340 0.003 0.000 0.268 164 L C -1.519 174.901 176.870 -0.749 0.000 0.986 164 L CA -0.868 53.654 54.840 -0.530 0.000 0.820 164 L CB 2.047 43.973 42.059 -0.221 0.000 1.303 164 L HN 0.713 nan 8.230 nan 0.000 0.411 165 D N 3.862 124.019 120.400 -0.405 0.000 2.193 165 D HA 0.567 5.209 4.640 0.003 0.000 0.244 165 D C -0.631 175.616 176.300 -0.089 0.000 1.064 165 D CA 0.029 53.924 54.000 -0.175 0.000 0.845 165 D CB 2.273 43.091 40.800 0.030 0.000 1.148 165 D HN 0.230 nan 8.370 nan 0.000 0.464 166 I N 1.748 122.280 120.570 -0.064 0.000 2.439 166 I HA 0.354 4.526 4.170 0.003 0.000 0.285 166 I C 0.275 176.373 176.117 -0.032 0.000 1.021 166 I CA -1.044 60.233 61.300 -0.039 0.000 1.091 166 I CB 1.880 39.860 38.000 -0.034 0.000 1.242 166 I HN 0.293 nan 8.210 nan 0.000 0.439 167 A N 4.467 127.267 122.820 -0.033 0.000 2.546 167 A HA 0.029 4.351 4.320 0.003 0.000 0.243 167 A C 1.490 179.072 177.584 -0.004 0.000 1.063 167 A CA 0.012 52.025 52.037 -0.040 0.000 0.757 167 A CB 0.022 19.007 19.000 -0.025 0.000 0.991 167 A HN 1.132 nan 8.150 nan 0.000 0.503 168 C N 2.295 121.610 119.300 0.024 0.000 2.413 168 C HA -0.134 4.328 4.460 0.003 0.000 0.277 168 C C 2.076 177.091 174.990 0.041 0.000 1.265 168 C CA 1.039 60.096 59.018 0.066 0.000 1.752 168 C CB -1.385 26.442 27.740 0.145 0.000 1.998 168 C HN 0.915 nan 8.230 nan 0.000 0.489 169 N N 1.699 120.418 118.700 0.032 0.000 2.512 169 N HA -0.023 4.719 4.740 0.003 0.000 0.183 169 N C 1.335 176.853 175.510 0.013 0.000 1.073 169 N CA 1.035 54.099 53.050 0.023 0.000 0.911 169 N CB -0.567 37.935 38.487 0.024 0.000 0.964 169 N HN 0.611 nan 8.380 nan 0.000 0.447 170 I N 0.481 121.056 120.570 0.007 0.000 3.645 170 I HA 0.120 4.292 4.170 0.003 0.000 0.300 170 I C 2.302 178.414 176.117 -0.008 0.000 1.260 170 I CA 0.151 61.450 61.300 -0.001 0.000 1.365 170 I CB 0.046 38.044 38.000 -0.004 0.000 1.077 170 I HN 0.084 nan 8.210 nan 0.000 0.439 171 A N -0.174 122.643 122.820 -0.006 0.000 1.986 171 A HA -0.212 4.110 4.320 0.003 0.000 0.220 171 A C 2.373 179.943 177.584 -0.022 0.000 1.171 171 A CA 2.218 54.247 52.037 -0.014 0.000 0.640 171 A CB -0.575 18.422 19.000 -0.004 0.000 0.811 171 A HN 0.366 nan 8.150 nan 0.000 0.451 172 S N -0.318 115.374 115.700 -0.013 0.000 2.527 172 S HA 0.043 4.515 4.470 0.003 0.000 0.222 172 S C 0.578 175.171 174.600 -0.011 0.000 0.985 172 S CA -0.076 58.116 58.200 -0.014 0.000 0.921 172 S CB -0.066 63.132 63.200 -0.003 0.000 0.772 172 S HN 0.541 nan 8.310 nan 0.000 0.529 173 E N 2.328 122.523 120.200 -0.007 0.000 2.383 173 E HA 0.197 4.549 4.350 0.003 0.000 0.264 173 E C -2.546 174.060 176.600 0.010 0.000 1.050 173 E CA -2.309 54.093 56.400 0.004 0.000 0.896 173 E CB 0.093 29.796 29.700 0.005 0.000 0.982 173 E HN 0.095 nan 8.360 nan 0.000 0.424 174 P HA -0.024 nan 4.420 nan 0.000 0.267 174 P C -0.437 176.900 177.300 0.062 0.000 1.200 174 P CA 0.013 63.145 63.100 0.055 0.000 0.772 174 P CB 0.556 32.288 31.700 0.054 0.000 0.855 175 C N 2.803 122.175 119.300 0.120 0.000 3.082 175 C HA 0.493 4.955 4.460 0.003 0.000 0.324 175 C C -0.142 174.969 174.990 0.203 0.000 1.210 175 C CA -0.587 58.501 59.018 0.117 0.000 1.366 175 C CB 0.860 28.659 27.740 0.098 0.000 1.756 175 C HN 0.606 nan 8.230 nan 0.000 0.485 176 V N 3.523 123.499 119.914 0.103 0.000 3.096 176 V HA 0.492 4.614 4.120 0.003 0.000 0.306 176 V C 0.253 176.469 176.094 0.204 0.000 1.088 176 V CA -0.088 62.269 62.300 0.094 0.000 1.129 176 V CB 0.156 31.999 31.823 0.033 0.000 1.014 176 V HN 0.948 nan 8.190 nan 0.000 0.486 177 R N 2.672 123.158 120.500 -0.024 0.000 2.457 177 R HA 0.507 4.849 4.340 0.003 0.000 0.284 177 R C -2.368 173.937 176.300 0.008 0.000 1.024 177 R CA -1.623 54.348 56.100 -0.216 0.000 1.025 177 R CB 0.792 30.756 30.300 -0.558 0.000 1.063 177 R HN 0.702 nan 8.270 nan 0.000 0.493 178 P HA 0.106 nan 4.420 nan 0.000 0.279 178 P C -0.293 176.936 177.300 -0.118 0.000 1.239 178 P CA -0.338 62.651 63.100 -0.185 0.000 0.789 178 P CB 1.086 32.464 31.700 -0.538 0.000 0.933 179 G N 3.264 112.027 108.800 -0.062 0.000 2.599 179 G HA2 0.427 4.389 3.960 0.003 0.000 0.264 179 G HA3 0.427 4.389 3.960 0.003 0.000 0.264 179 G C -2.293 172.572 174.900 -0.057 0.000 1.200 179 G CA -1.128 43.941 45.100 -0.051 0.000 0.896 179 G HN 0.416 nan 8.290 nan 0.000 0.536 180 P HA 0.292 nan 4.420 nan 0.000 0.271 180 P C -0.284 176.998 177.300 -0.031 0.000 1.218 180 P CA -0.084 62.992 63.100 -0.040 0.000 0.780 180 P CB 1.342 33.022 31.700 -0.032 0.000 0.901 181 V N -1.661 118.235 119.914 -0.029 0.000 2.962 181 V HA 0.430 4.552 4.120 0.003 0.000 0.313 181 V C 1.240 177.324 176.094 -0.017 0.000 1.099 181 V CA -0.545 61.742 62.300 -0.021 0.000 0.971 181 V CB 1.240 33.050 31.823 -0.022 0.000 1.028 181 V HN 0.490 nan 8.190 nan 0.000 0.430 182 S N 1.260 116.953 115.700 -0.011 0.000 2.345 182 S HA 0.060 4.532 4.470 0.003 0.000 0.220 182 S C 0.935 175.529 174.600 -0.010 0.000 1.031 182 S CA 1.671 59.865 58.200 -0.009 0.000 0.996 182 S CB -0.128 63.070 63.200 -0.004 0.000 0.882 182 S HN 1.509 nan 8.310 nan 0.000 0.445 183 S N -1.259 114.436 115.700 -0.009 0.000 2.552 183 S HA 0.452 4.924 4.470 0.003 0.000 0.272 183 S C -0.593 174.002 174.600 -0.009 0.000 1.150 183 S CA -0.688 57.507 58.200 -0.009 0.000 0.849 183 S CB 0.779 63.975 63.200 -0.007 0.000 1.113 183 S HN 0.069 nan 8.310 nan 0.000 0.458 184 L N 2.209 123.425 121.223 -0.011 0.000 2.558 184 L HA 0.480 4.822 4.340 0.003 0.000 0.225 184 L C 0.311 177.175 176.870 -0.009 0.000 1.128 184 L CA 0.686 55.520 54.840 -0.010 0.000 0.868 184 L CB -0.536 41.515 42.059 -0.013 0.000 1.006 184 L HN 0.692 nan 8.230 nan 0.000 0.454 185 L N 0.476 121.693 121.223 -0.009 0.000 2.265 185 L HA 0.461 4.803 4.340 0.003 0.000 0.288 185 L C -0.003 176.863 176.870 -0.006 0.000 1.058 185 L CA 0.010 54.844 54.840 -0.011 0.000 0.809 185 L CB 0.967 43.019 42.059 -0.013 0.000 1.179 185 L HN 0.184 nan 8.230 nan 0.000 0.429 186 S N 3.771 119.468 115.700 -0.005 0.000 2.775 186 S HA 0.538 5.010 4.470 0.003 0.000 0.277 186 S C -0.697 173.903 174.600 0.000 0.000 1.156 186 S CA -0.949 57.252 58.200 0.001 0.000 1.081 186 S CB 0.812 64.016 63.200 0.006 0.000 1.054 186 S HN 0.679 nan 8.310 nan 0.000 0.482 187 E N 3.261 123.462 120.200 0.001 0.000 2.392 187 E HA 0.327 4.679 4.350 0.003 0.000 0.259 187 E C -2.179 174.426 176.600 0.007 0.000 1.108 187 E CA -1.731 54.670 56.400 0.001 0.000 0.916 187 E CB -0.194 29.509 29.700 0.004 0.000 0.989 187 E HN 0.498 nan 8.360 nan 0.000 0.432 188 P HA -0.011 nan 4.420 nan 0.000 0.271 188 P C -0.384 176.926 177.300 0.017 0.000 1.218 188 P CA -0.060 63.046 63.100 0.010 0.000 0.780 188 P CB 0.375 32.076 31.700 0.003 0.000 0.901 189 E N 2.760 122.975 120.200 0.024 0.000 2.452 189 E HA 0.042 4.394 4.350 0.003 0.000 0.261 189 E C 0.180 176.793 176.600 0.022 0.000 0.987 189 E CA -0.598 55.822 56.400 0.033 0.000 0.926 189 E CB 0.395 30.123 29.700 0.046 0.000 0.934 189 E HN 0.335 nan 8.360 nan 0.000 0.452 190 I N 2.744 123.312 120.570 -0.004 0.000 2.529 190 I HA 0.016 4.188 4.170 0.003 0.000 0.284 190 I C -0.284 175.760 176.117 -0.122 0.000 1.082 190 I CA -0.007 61.253 61.300 -0.066 0.000 1.406 190 I CB 0.958 38.880 38.000 -0.131 0.000 1.405 190 I HN 0.728 nan 8.210 nan 0.000 0.548 191 D N 6.690 127.079 120.400 -0.018 0.000 2.352 191 D HA 0.064 4.706 4.640 0.003 0.000 0.245 191 D C 0.767 177.074 176.300 0.012 0.000 1.224 191 D CA 0.016 54.041 54.000 0.042 0.000 0.879 191 D CB 0.378 41.243 40.800 0.109 0.000 1.057 191 D HN 0.583 nan 8.370 nan 0.000 0.491 192 H N 1.299 120.422 119.070 0.088 0.000 2.462 192 H HA -0.038 4.520 4.556 0.003 0.000 0.292 192 H C 1.758 177.115 175.328 0.049 0.000 1.049 192 H CA 1.367 57.445 56.048 0.051 0.000 1.334 192 H CB 0.558 30.337 29.762 0.029 0.000 1.404 192 H HN 0.340 nan 8.280 nan 0.000 0.544 193 T N -0.925 113.732 114.554 0.171 0.000 2.708 193 T HA -0.218 4.134 4.350 0.003 0.000 0.266 193 T C 2.265 177.053 174.700 0.146 0.000 1.037 193 T CA 1.584 63.764 62.100 0.132 0.000 1.146 193 T CB -0.372 68.566 68.868 0.117 0.000 0.865 193 T HN 0.276 nan 8.240 nan 0.000 0.435 194 S N 0.472 116.287 115.700 0.191 0.000 2.368 194 S HA 0.060 4.532 4.470 0.003 0.000 0.224 194 S C 1.980 176.718 174.600 0.230 0.000 1.029 194 S CA 0.540 58.922 58.200 0.303 0.000 0.988 194 S CB -0.511 62.917 63.200 0.379 0.000 0.838 194 S HN 0.380 nan 8.310 nan 0.000 0.462 195 L N 1.349 122.590 121.223 0.031 0.000 2.012 195 L HA -0.152 4.190 4.340 0.003 0.000 0.210 195 L C 2.654 179.388 176.870 -0.226 0.000 1.073 195 L CA 1.945 56.536 54.840 -0.416 0.000 0.748 195 L CB -0.550 41.283 42.059 -0.376 0.000 0.891 195 L HN 0.386 nan 8.230 nan 0.000 0.431 196 K N -0.321 120.036 120.400 -0.072 0.000 2.063 196 K HA -0.207 4.115 4.320 0.003 0.000 0.208 196 K C 1.932 178.491 176.600 -0.069 0.000 1.048 196 K CA 1.493 57.751 56.287 -0.049 0.000 0.928 196 K CB -0.066 32.440 32.500 0.010 0.000 0.713 196 K HN 0.406 nan 8.250 nan 0.000 0.442 197 A N 0.880 123.679 122.820 -0.034 0.000 1.930 197 A HA -0.039 4.283 4.320 0.003 0.000 0.217 197 A C 2.273 179.621 177.584 -0.394 0.000 1.175 197 A CA 1.663 53.670 52.037 -0.050 0.000 0.627 197 A CB -0.580 18.528 19.000 0.180 0.000 0.815 197 A HN 0.472 nan 8.150 nan 0.000 0.443 198 A N -0.495 121.976 122.820 -0.582 0.000 1.898 198 A HA 0.020 4.342 4.320 0.003 0.000 0.216 198 A C 2.222 179.692 177.584 -0.189 0.000 1.181 198 A CA 1.766 53.340 52.037 -0.771 0.000 0.620 198 A CB -0.878 17.930 19.000 -0.320 0.000 0.819 198 A HN 0.360 nan 8.150 nan 0.000 0.442 199 V N 0.602 120.458 119.914 -0.097 0.000 2.307 199 V HA -0.228 3.893 4.120 0.003 0.000 0.245 199 V C 2.193 178.225 176.094 -0.104 0.000 1.045 199 V CA 2.265 64.499 62.300 -0.111 0.000 1.024 199 V CB -0.893 30.807 31.823 -0.204 0.000 0.651 199 V HN 0.472 nan 8.190 nan 0.000 0.449 200 D N 0.629 120.968 120.400 -0.103 0.000 2.123 200 D HA -0.164 4.478 4.640 0.003 0.000 0.196 200 D C 2.195 178.467 176.300 -0.047 0.000 0.992 200 D CA 1.797 55.758 54.000 -0.065 0.000 0.833 200 D CB -0.384 40.390 40.800 -0.043 0.000 0.954 200 D HN 0.443 nan 8.370 nan 0.000 0.455 201 A N -0.011 122.764 122.820 -0.075 0.000 1.930 201 A HA -0.131 4.191 4.320 0.003 0.000 0.217 201 A C 2.342 179.933 177.584 0.011 0.000 1.175 201 A CA 1.962 53.988 52.037 -0.019 0.000 0.627 201 A CB -0.747 18.241 19.000 -0.019 0.000 0.815 201 A HN 0.228 nan 8.150 nan 0.000 0.443 202 T N -0.516 114.045 114.554 0.011 0.000 2.812 202 T HA -0.080 4.272 4.350 0.003 0.000 0.264 202 T C 1.871 176.581 174.700 0.015 0.000 1.042 202 T CA 1.419 63.554 62.100 0.058 0.000 1.140 202 T CB -0.350 68.610 68.868 0.153 0.000 0.870 202 T HN 0.130 nan 8.240 nan 0.000 0.445 203 V N 1.762 121.664 119.914 -0.020 0.000 2.343 203 V HA -0.169 3.953 4.120 0.003 0.000 0.247 203 V C 2.898 178.985 176.094 -0.011 0.000 1.051 203 V CA 1.701 63.983 62.300 -0.029 0.000 1.036 203 V CB -1.185 30.608 31.823 -0.049 0.000 0.654 203 V HN 0.527 nan 8.190 nan 0.000 0.451 204 A N -0.198 122.620 122.820 -0.003 0.000 1.883 204 A HA -0.231 4.091 4.320 0.003 0.000 0.217 204 A C 2.172 179.764 177.584 0.013 0.000 1.186 204 A CA 2.264 54.304 52.037 0.006 0.000 0.624 204 A CB -0.627 18.381 19.000 0.013 0.000 0.822 204 A HN 0.460 nan 8.150 nan 0.000 0.444 205 L N -0.329 120.907 121.223 0.022 0.000 2.017 205 L HA -0.085 4.256 4.340 0.003 0.000 0.208 205 L C 2.302 179.183 176.870 0.018 0.000 1.073 205 L CA 1.667 56.523 54.840 0.026 0.000 0.745 205 L CB -0.512 41.571 42.059 0.040 0.000 0.894 205 L HN 0.402 nan 8.230 nan 0.000 0.432 206 L N -0.704 120.528 121.223 0.015 0.000 2.046 206 L HA -0.231 4.111 4.340 0.003 0.000 0.208 206 L C 2.536 179.408 176.870 0.003 0.000 1.077 206 L CA 1.526 56.370 54.840 0.008 0.000 0.747 206 L CB -0.540 41.520 42.059 0.001 0.000 0.896 206 L HN 0.353 nan 8.230 nan 0.000 0.432 207 E N 0.432 120.632 120.200 0.000 0.000 2.085 207 E HA -0.260 4.092 4.350 0.003 0.000 0.194 207 E C 1.797 178.399 176.600 0.002 0.000 0.994 207 E CA 1.583 57.983 56.400 -0.001 0.000 0.801 207 E CB 0.063 29.761 29.700 -0.003 0.000 0.743 207 E HN 0.450 nan 8.360 nan 0.000 0.453 208 K N -0.032 120.371 120.400 0.005 0.000 2.458 208 K HA 0.161 4.483 4.320 0.003 0.000 0.194 208 K C 0.040 176.643 176.600 0.005 0.000 1.024 208 K CA 0.033 56.323 56.287 0.005 0.000 1.108 208 K CB 0.735 33.240 32.500 0.007 0.000 0.846 208 K HN -0.207 nan 8.250 nan 0.000 0.518 209 S N 0.283 115.986 115.700 0.005 0.000 2.586 209 S HA 0.480 4.952 4.470 0.003 0.000 0.274 209 S C 0.823 175.424 174.600 0.002 0.000 1.281 209 S CA -0.420 57.782 58.200 0.004 0.000 1.035 209 S CB 1.633 64.836 63.200 0.005 0.000 0.962 209 S HN 0.401 nan 8.310 nan 0.000 0.512 210 A N 1.927 124.748 122.820 0.001 0.000 1.887 210 A HA 0.243 4.565 4.320 0.003 0.000 0.212 210 A C 0.986 178.570 177.584 0.000 0.000 1.198 210 A CA 0.661 52.699 52.037 0.001 0.000 0.628 210 A CB -0.138 18.863 19.000 0.001 0.000 0.847 210 A HN 0.977 nan 8.150 nan 0.000 0.449 211 S N -0.207 115.491 115.700 -0.002 0.000 2.383 211 S HA 0.563 5.034 4.470 0.003 0.000 0.196 211 S C -3.371 171.224 174.600 -0.009 0.000 1.364 211 S CA -1.397 56.800 58.200 -0.005 0.000 1.212 211 S CB 1.287 64.484 63.200 -0.006 0.000 1.171 211 S HN 0.040 nan 8.310 nan 0.000 0.456 212 P HA 0.467 nan 4.420 nan 0.000 0.275 212 P C -0.724 176.565 177.300 -0.020 0.000 1.228 212 P CA -0.475 62.620 63.100 -0.009 0.000 0.786 212 P CB 1.116 32.815 31.700 -0.002 0.000 0.927 213 V N 3.447 123.343 119.914 -0.030 0.000 2.769 213 V HA 0.448 4.570 4.120 0.003 0.000 0.312 213 V C 0.121 176.185 176.094 -0.051 0.000 1.061 213 V CA -0.690 61.580 62.300 -0.051 0.000 0.931 213 V CB 1.944 33.724 31.823 -0.073 0.000 1.010 213 V HN 0.482 nan 8.190 nan 0.000 0.433 214 M N 4.195 123.750 119.600 -0.075 0.000 2.238 214 M HA 0.557 5.039 4.480 0.003 0.000 0.350 214 M C -1.223 175.020 176.300 -0.095 0.000 1.138 214 M CA -0.564 54.688 55.300 -0.079 0.000 1.040 214 M CB 1.607 34.136 32.600 -0.118 0.000 1.639 214 M HN 0.488 nan 8.290 nan 0.000 0.451 215 L N 5.524 126.718 121.223 -0.049 0.000 2.349 215 L HA 0.614 4.956 4.340 0.003 0.000 0.278 215 L C -1.652 175.217 176.870 -0.002 0.000 0.996 215 L CA -0.240 54.584 54.840 -0.026 0.000 0.825 215 L CB 1.195 43.257 42.059 0.004 0.000 1.243 215 L HN 0.626 nan 8.230 nan 0.000 0.412 216 L N 5.041 126.258 121.223 -0.011 0.000 2.309 216 L HA 0.794 5.136 4.340 0.003 0.000 0.282 216 L C 0.682 177.558 176.870 0.011 0.000 1.036 216 L CA -0.532 54.317 54.840 0.015 0.000 0.806 216 L CB 1.455 43.535 42.059 0.035 0.000 1.220 216 L HN 0.770 nan 8.230 nan 0.000 0.429 217 G N -0.037 108.769 108.800 0.010 0.000 2.667 217 G HA2 0.358 4.320 3.960 0.003 0.000 0.310 217 G HA3 0.358 4.320 3.960 0.003 0.000 0.310 217 G C 0.588 175.528 174.900 0.067 0.000 1.259 217 G CA -0.119 44.952 45.100 -0.047 0.000 1.019 217 G HN 0.639 nan 8.290 nan 0.000 0.496 218 S N -1.281 114.416 115.700 -0.005 0.000 2.607 218 S HA 0.042 4.514 4.470 0.003 0.000 0.224 218 S C 1.310 176.028 174.600 0.196 0.000 0.969 218 S CA 0.416 58.696 58.200 0.132 0.000 0.927 218 S CB 0.015 63.171 63.200 -0.074 0.000 0.772 218 S HN 0.504 nan 8.310 nan 0.000 0.533 219 K N 0.202 120.642 120.400 0.067 0.000 2.417 219 K HA 0.294 4.616 4.320 0.003 0.000 0.196 219 K C 1.207 177.783 176.600 -0.040 0.000 1.023 219 K CA -0.159 56.132 56.287 0.006 0.000 1.122 219 K CB -0.064 32.418 32.500 -0.030 0.000 0.850 219 K HN 0.217 nan 8.250 nan 0.000 0.521 220 L N 1.455 122.660 121.223 -0.030 0.000 2.083 220 L HA -0.139 4.203 4.340 0.003 0.000 0.209 220 L C 2.327 179.013 176.870 -0.305 0.000 1.083 220 L CA 1.724 56.490 54.840 -0.124 0.000 0.752 220 L CB -0.235 41.803 42.059 -0.035 0.000 0.899 220 L HN 0.079 nan 8.230 nan 0.000 0.433 221 R N -1.056 119.090 120.500 -0.590 0.000 2.073 221 R HA -0.064 4.278 4.340 0.003 0.000 0.229 221 R C 2.199 178.345 176.300 -0.257 0.000 1.120 221 R CA 1.133 56.904 56.100 -0.548 0.000 0.967 221 R CB -0.312 29.507 30.300 -0.802 0.000 0.862 221 R HN 0.412 nan 8.270 nan 0.000 0.436 222 A N 0.764 123.476 122.820 -0.180 0.000 1.933 222 A HA -0.084 4.238 4.320 0.003 0.000 0.218 222 A C 2.192 179.721 177.584 -0.092 0.000 1.175 222 A CA 1.630 53.602 52.037 -0.108 0.000 0.628 222 A CB -0.661 18.291 19.000 -0.081 0.000 0.814 222 A HN 0.505 nan 8.150 nan 0.000 0.444 223 A N -0.848 121.918 122.820 -0.090 0.000 2.239 223 A HA 0.134 4.456 4.320 0.003 0.000 0.209 223 A C 0.989 178.540 177.584 -0.054 0.000 1.171 223 A CA 0.914 52.917 52.037 -0.057 0.000 0.768 223 A CB -0.726 18.252 19.000 -0.036 0.000 0.790 223 A HN 0.834 nan 8.150 nan 0.000 0.478 224 N N -2.212 116.435 118.700 -0.087 0.000 2.714 224 N HA -0.218 4.524 4.740 0.003 0.000 0.253 224 N C 0.206 175.681 175.510 -0.058 0.000 1.024 224 N CA 1.036 54.038 53.050 -0.080 0.000 0.726 224 N CB -1.307 37.148 38.487 -0.054 0.000 0.908 224 N HN 0.634 nan 8.380 nan 0.000 0.542 225 A N -0.161 122.616 122.820 -0.071 0.000 2.589 225 A HA 0.374 4.696 4.320 0.003 0.000 0.283 225 A C 1.665 179.234 177.584 -0.026 0.000 1.187 225 A CA -0.306 51.714 52.037 -0.028 0.000 0.957 225 A CB 0.164 19.165 19.000 0.002 0.000 1.175 225 A HN 0.301 nan 8.150 nan 0.000 0.532 226 L N -0.602 120.582 121.223 -0.064 0.000 1.988 226 L HA -0.165 4.177 4.340 0.003 0.000 0.207 226 L C 3.039 179.907 176.870 -0.002 0.000 1.071 226 L CA 1.644 56.461 54.840 -0.039 0.000 0.744 226 L CB -0.720 41.285 42.059 -0.089 0.000 0.893 226 L HN 0.436 nan 8.230 nan 0.000 0.433 227 A N 0.130 122.938 122.820 -0.021 0.000 1.902 227 A HA -0.172 4.150 4.320 0.003 0.000 0.217 227 A C 2.511 180.101 177.584 0.009 0.000 1.181 227 A CA 1.826 53.855 52.037 -0.013 0.000 0.623 227 A CB -0.738 18.249 19.000 -0.021 0.000 0.818 227 A HN 0.431 nan 8.150 nan 0.000 0.443 228 A N -1.250 121.576 122.820 0.011 0.000 1.933 228 A HA -0.071 4.251 4.320 0.003 0.000 0.218 228 A C 2.283 179.891 177.584 0.039 0.000 1.175 228 A CA 2.238 54.286 52.037 0.017 0.000 0.628 228 A CB -1.142 17.867 19.000 0.016 0.000 0.814 228 A HN 0.425 nan 8.150 nan 0.000 0.444 229 T N 0.150 114.743 114.554 0.066 0.000 2.777 229 T HA -0.139 4.213 4.350 0.003 0.000 0.266 229 T C 1.844 176.648 174.700 0.173 0.000 1.040 229 T CA 1.682 63.848 62.100 0.110 0.000 1.141 229 T CB -0.244 68.709 68.868 0.142 0.000 0.868 229 T HN 0.904 nan 8.240 nan 0.000 0.444 230 E N 0.446 120.753 120.200 0.178 0.000 2.285 230 E HA -0.060 4.292 4.350 0.003 0.000 0.194 230 E C 1.797 178.479 176.600 0.137 0.000 0.997 230 E CA 1.028 57.540 56.400 0.186 0.000 0.845 230 E CB -0.329 29.336 29.700 -0.059 0.000 0.782 230 E HN 0.269 nan 8.360 nan 0.000 0.491 231 T N 1.396 116.000 114.554 0.083 0.000 2.777 231 T HA -0.116 4.236 4.350 0.003 0.000 0.266 231 T C 1.671 176.406 174.700 0.059 0.000 1.040 231 T CA 1.143 63.280 62.100 0.060 0.000 1.141 231 T CB -0.237 68.645 68.868 0.024 0.000 0.868 231 T HN 0.132 nan 8.240 nan 0.000 0.444 232 L N 1.524 122.775 121.223 0.047 0.000 2.046 232 L HA 0.096 4.438 4.340 0.003 0.000 0.208 232 L C 2.567 179.469 176.870 0.054 0.000 1.077 232 L CA 1.778 56.633 54.840 0.024 0.000 0.747 232 L CB -0.957 41.102 42.059 0.001 0.000 0.896 232 L HN 0.220 nan 8.230 nan 0.000 0.432 233 A N -0.970 121.909 122.820 0.097 0.000 1.972 233 A HA -0.197 4.125 4.320 0.003 0.000 0.219 233 A C 1.965 179.671 177.584 0.204 0.000 1.169 233 A CA 1.774 53.885 52.037 0.123 0.000 0.635 233 A CB -0.720 18.360 19.000 0.133 0.000 0.810 233 A HN 0.529 nan 8.150 nan 0.000 0.446 234 D N -0.531 119.998 120.400 0.215 0.000 2.144 234 D HA -0.109 4.533 4.640 0.003 0.000 0.200 234 D C 1.931 178.292 176.300 0.102 0.000 0.978 234 D CA 1.544 55.657 54.000 0.187 0.000 0.833 234 D CB -0.095 40.791 40.800 0.143 0.000 0.961 234 D HN 0.439 nan 8.370 nan 0.000 0.470 235 K N 0.562 121.003 120.400 0.069 0.000 2.062 235 K HA 0.055 4.377 4.320 0.003 0.000 0.205 235 K C 2.102 178.721 176.600 0.031 0.000 1.051 235 K CA 0.588 56.895 56.287 0.034 0.000 0.941 235 K CB -0.329 32.176 32.500 0.008 0.000 0.719 235 K HN 0.055 nan 8.250 nan 0.000 0.440 236 L N 0.359 121.604 121.223 0.036 0.000 2.217 236 L HA -0.083 4.258 4.340 0.003 0.000 0.211 236 L C 0.671 177.565 176.870 0.040 0.000 1.107 236 L CA 0.818 55.674 54.840 0.027 0.000 0.783 236 L CB -0.097 41.973 42.059 0.017 0.000 0.919 236 L HN 0.374 nan 8.230 nan 0.000 0.442 237 Q N -1.600 118.243 119.800 0.071 0.000 2.305 237 Q HA -0.255 4.087 4.340 0.003 0.000 0.203 237 Q C 0.629 176.674 176.000 0.076 0.000 0.663 237 Q CA 1.272 57.124 55.803 0.081 0.000 1.389 237 Q CB -2.717 26.052 28.738 0.051 0.000 1.566 237 Q HN 0.715 nan 8.270 nan 0.000 0.755 238 C N -1.092 118.241 119.300 0.055 0.000 2.470 238 C HA 0.834 5.296 4.460 0.003 0.000 0.350 238 C C 1.262 176.266 174.990 0.023 0.000 1.341 238 C CA -0.282 58.753 59.018 0.028 0.000 2.440 238 C CB 0.491 28.233 27.740 0.004 0.000 2.295 238 C HN 0.504 nan 8.230 nan 0.000 0.645 239 A N 0.798 123.613 122.820 -0.008 0.000 2.477 239 A HA 0.532 4.854 4.320 0.003 0.000 0.246 239 A C -0.158 177.369 177.584 -0.096 0.000 1.078 239 A CA -0.137 51.878 52.037 -0.036 0.000 0.770 239 A CB -0.264 18.706 19.000 -0.050 0.000 1.011 239 A HN 1.190 nan 8.150 nan 0.000 0.494 240 V N 3.228 123.054 119.914 -0.148 0.000 2.409 240 V HA 0.607 4.729 4.120 0.003 0.000 0.291 240 V C 0.408 176.335 176.094 -0.278 0.000 1.020 240 V CA 0.006 62.125 62.300 -0.300 0.000 0.848 240 V CB 1.460 32.874 31.823 -0.681 0.000 0.990 240 V HN 1.128 nan 8.190 nan 0.000 0.430 241 T N 2.651 117.073 114.554 -0.221 0.000 2.924 241 T HA 0.868 5.220 4.350 0.003 0.000 0.291 241 T C -0.592 174.075 174.700 -0.054 0.000 1.045 241 T CA -0.737 61.265 62.100 -0.163 0.000 1.015 241 T CB 2.083 70.891 68.868 -0.100 0.000 1.103 241 T HN 0.614 nan 8.240 nan 0.000 0.496 242 I N -0.840 119.745 120.570 0.024 0.000 2.603 242 I HA 0.603 4.775 4.170 0.003 0.000 0.300 242 I C -0.053 176.073 176.117 0.015 0.000 1.017 242 I CA -1.521 59.805 61.300 0.044 0.000 1.098 242 I CB 1.770 39.831 38.000 0.101 0.000 1.279 242 I HN 0.536 nan 8.210 nan 0.000 0.437 243 M N 3.174 122.744 119.600 -0.049 0.000 2.241 243 M HA 0.323 4.805 4.480 0.003 0.000 0.335 243 M C 1.513 177.581 176.300 -0.387 0.000 1.122 243 M CA -0.169 55.029 55.300 -0.170 0.000 1.164 243 M CB 1.391 33.885 32.600 -0.177 0.000 1.459 243 M HN 0.972 nan 8.290 nan 0.000 0.461 244 A N 1.988 124.380 122.820 -0.713 0.000 1.896 244 A HA -0.214 4.108 4.320 0.003 0.000 0.220 244 A C 2.027 179.159 177.584 -0.752 0.000 1.206 244 A CA 2.649 54.114 52.037 -0.954 0.000 0.647 244 A CB -1.122 16.670 19.000 -2.013 0.000 0.828 244 A HN 0.961 nan 8.150 nan 0.000 0.455 245 A N -1.365 121.026 122.820 -0.715 0.000 2.239 245 A HA 0.454 4.776 4.320 0.003 0.000 0.209 245 A C 1.785 179.000 177.584 -0.615 0.000 1.171 245 A CA 1.271 52.940 52.037 -0.614 0.000 0.768 245 A CB -0.563 18.133 19.000 -0.507 0.000 0.790 245 A HN 1.183 nan 8.150 nan 0.000 0.478 246 A N -0.549 121.925 122.820 -0.577 0.000 2.423 246 A HA 0.328 4.650 4.320 0.003 0.000 0.246 246 A C 0.790 177.958 177.584 -0.694 0.000 1.278 246 A CA -0.213 51.388 52.037 -0.727 0.000 0.903 246 A CB -0.354 18.512 19.000 -0.223 0.000 0.997 246 A HN 0.355 nan 8.150 nan 0.000 0.510 247 K N 0.344 120.414 120.400 -0.550 0.000 2.472 247 K HA 0.313 4.635 4.320 0.003 0.000 0.280 247 K C 1.203 177.609 176.600 -0.323 0.000 1.028 247 K CA 1.255 57.347 56.287 -0.325 0.000 1.045 247 K CB -0.177 32.171 32.500 -0.253 0.000 0.902 247 K HN 0.766 nan 8.250 nan 0.000 0.478 248 G N 3.898 112.618 108.800 -0.132 0.000 2.194 248 G HA2 -0.217 3.745 3.960 0.003 0.000 0.236 248 G HA3 -0.217 3.745 3.960 0.003 0.000 0.236 248 G C 0.287 175.307 174.900 0.200 0.000 0.987 248 G CA 0.005 45.095 45.100 -0.017 0.000 0.635 248 G HN 0.566 nan 8.290 nan 0.000 0.520 249 F N -0.229 119.724 119.950 0.006 0.000 2.811 249 F HA 0.580 5.109 4.527 0.003 0.000 0.301 249 F C 0.737 176.609 175.800 0.120 0.000 1.151 249 F CA -0.818 57.203 58.000 0.035 0.000 1.412 249 F CB -0.267 38.750 39.000 0.029 0.000 1.113 249 F HN 0.161 nan 8.300 nan 0.000 0.579 250 F N 1.580 121.575 119.950 0.076 0.000 2.596 250 F HA 0.485 5.014 4.527 0.003 0.000 0.311 250 F C -2.606 173.098 175.800 -0.159 0.000 1.116 250 F CA -2.858 55.126 58.000 -0.027 0.000 0.957 250 F CB 1.660 40.667 39.000 0.012 0.000 1.250 250 F HN -0.321 nan 8.300 nan 0.000 0.444 251 P HA 0.117 nan 4.420 nan 0.000 0.270 251 P C -0.314 176.739 177.300 -0.410 0.000 1.242 251 P CA 0.247 63.083 63.100 -0.440 0.000 0.768 251 P CB 0.769 32.228 31.700 -0.401 0.000 0.820 252 E N 1.556 121.474 120.200 -0.470 0.000 2.418 252 E HA -0.150 4.202 4.350 0.003 0.000 0.197 252 E C 0.761 177.282 176.600 -0.132 0.000 1.026 252 E CA 0.611 56.618 56.400 -0.655 0.000 0.862 252 E CB -0.116 29.210 29.700 -0.623 0.000 0.799 252 E HN 0.523 nan 8.360 nan 0.000 0.518 253 D N 0.283 120.630 120.400 -0.089 0.000 2.178 253 D HA -0.112 4.530 4.640 0.003 0.000 0.201 253 D C 0.599 176.937 176.300 0.063 0.000 0.980 253 D CA 0.772 54.765 54.000 -0.012 0.000 0.842 253 D CB -0.017 40.750 40.800 -0.055 0.000 0.948 253 D HN 0.163 nan 8.370 nan 0.000 0.472 254 H N -1.097 117.972 119.070 -0.002 0.000 2.897 254 H HA 0.210 4.768 4.556 0.003 0.000 0.347 254 H C 1.205 176.642 175.328 0.182 0.000 1.068 254 H CA 0.202 56.296 56.048 0.076 0.000 1.426 254 H CB 1.158 30.984 29.762 0.106 0.000 1.410 254 H HN 0.020 nan 8.280 nan 0.000 0.597 255 A N 3.381 126.187 122.820 -0.023 0.000 2.024 255 A HA -0.123 4.199 4.320 0.003 0.000 0.220 255 A C 2.257 180.001 177.584 0.267 0.000 1.164 255 A CA 1.595 53.683 52.037 0.085 0.000 0.643 255 A CB -0.752 18.224 19.000 -0.040 0.000 0.806 255 A HN 0.850 nan 8.150 nan 0.000 0.451 256 G N -2.254 106.891 108.800 0.575 0.000 3.042 256 G HA2 0.264 4.226 3.960 0.003 0.000 0.212 256 G HA3 0.264 4.226 3.960 0.003 0.000 0.212 256 G C 0.298 175.398 174.900 0.334 0.000 1.166 256 G CA -0.330 45.021 45.100 0.418 0.000 0.767 256 G HN 0.401 nan 8.290 nan 0.000 0.546 257 F N 1.621 121.759 119.950 0.314 0.000 2.543 257 F HA 0.377 4.906 4.527 0.003 0.000 0.375 257 F C 1.185 177.053 175.800 0.114 0.000 1.075 257 F CA -0.415 57.711 58.000 0.209 0.000 1.225 257 F CB 0.892 40.081 39.000 0.315 0.000 1.099 257 F HN -0.146 nan 8.300 nan 0.000 0.561 258 R N 4.059 124.176 120.500 -0.639 0.000 2.531 258 R HA 0.342 4.684 4.340 0.003 0.000 0.316 258 R C 0.598 176.535 176.300 -0.606 0.000 0.955 258 R CA 0.352 56.178 56.100 -0.456 0.000 1.120 258 R CB 0.278 30.449 30.300 -0.215 0.000 1.361 258 R HN 1.008 nan 8.270 nan 0.000 0.534 259 G N 1.177 109.244 108.800 -1.222 0.000 2.416 259 G HA2 -0.222 3.739 3.960 0.003 0.000 0.203 259 G HA3 -0.222 3.739 3.960 0.003 0.000 0.203 259 G C -1.462 173.286 174.900 -0.254 0.000 1.227 259 G CA -0.446 44.247 45.100 -0.679 0.000 1.041 259 G HN 0.126 nan 8.290 nan 0.000 0.546 260 L N 0.591 121.793 121.223 -0.035 0.000 2.275 260 L HA 0.781 5.123 4.340 0.003 0.000 0.288 260 L C -0.313 176.645 176.870 0.147 0.000 1.046 260 L CA -1.051 53.829 54.840 0.067 0.000 0.805 260 L CB 0.957 43.078 42.059 0.103 0.000 1.193 260 L HN 0.826 nan 8.230 nan 0.000 0.426 261 Y N 5.920 126.244 120.300 0.040 0.000 2.353 261 Y HA 0.447 4.999 4.550 0.003 0.000 0.340 261 Y C -1.134 174.894 175.900 0.214 0.000 0.972 261 Y CA -0.244 57.919 58.100 0.106 0.000 1.157 261 Y CB 0.848 39.354 38.460 0.077 0.000 1.157 261 Y HN 0.783 nan 8.280 nan 0.000 0.495 262 W N 7.825 128.827 121.300 -0.498 0.000 1.169 262 W HA 0.399 5.061 4.660 0.003 0.000 0.318 262 W C 0.201 176.527 176.519 -0.321 0.000 0.906 262 W CA -0.538 56.574 57.345 -0.390 0.000 1.379 262 W CB 0.487 29.852 29.460 -0.159 0.000 1.491 262 W HN 0.983 nan 8.180 nan 0.000 0.459 263 G N 2.550 111.141 108.800 -0.349 0.000 2.651 263 G HA2 -0.433 3.529 3.960 0.003 0.000 0.315 263 G HA3 -0.433 3.529 3.960 0.003 0.000 0.315 263 G C 1.086 175.958 174.900 -0.048 0.000 1.258 263 G CA 1.273 46.290 45.100 -0.139 0.000 1.002 263 G HN 0.594 nan 8.290 nan 0.000 0.551 264 E N 0.456 120.630 120.200 -0.043 0.000 2.482 264 E HA 0.156 4.508 4.350 0.003 0.000 0.196 264 E C 1.984 178.564 176.600 -0.033 0.000 1.047 264 E CA 1.359 57.745 56.400 -0.023 0.000 0.869 264 E CB -0.062 29.619 29.700 -0.032 0.000 0.836 264 E HN 1.208 nan 8.360 nan 0.000 0.520 265 V N -1.614 118.261 119.914 -0.065 0.000 3.342 265 V HA 0.230 4.352 4.120 0.003 0.000 0.322 265 V C 0.426 176.554 176.094 0.057 0.000 1.370 265 V CA -0.717 61.558 62.300 -0.042 0.000 1.170 265 V CB -0.003 31.734 31.823 -0.144 0.000 1.101 265 V HN 0.007 nan 8.190 nan 0.000 0.442 266 S N 2.407 118.150 115.700 0.072 0.000 2.580 266 S HA 0.198 4.670 4.470 0.003 0.000 0.266 266 S C 0.382 175.039 174.600 0.094 0.000 1.354 266 S CA -0.168 58.101 58.200 0.116 0.000 1.008 266 S CB 0.028 63.311 63.200 0.138 0.000 0.898 266 S HN 0.694 nan 8.310 nan 0.000 0.555 267 N N 2.744 121.498 118.700 0.090 0.000 2.441 267 N HA 0.151 4.893 4.740 0.003 0.000 0.251 267 N C -2.525 173.016 175.510 0.052 0.000 1.242 267 N CA -1.176 51.910 53.050 0.060 0.000 0.898 267 N CB -0.377 38.131 38.487 0.034 0.000 1.100 267 N HN 0.316 nan 8.380 nan 0.000 0.443 268 P HA -0.026 nan 4.420 nan 0.000 0.261 268 P C 0.948 178.268 177.300 0.033 0.000 1.173 268 P CA 0.674 63.796 63.100 0.036 0.000 0.760 268 P CB 0.252 31.969 31.700 0.028 0.000 0.783 269 G N 1.701 110.524 108.800 0.038 0.000 2.347 269 G HA2 -0.346 3.616 3.960 0.003 0.000 0.247 269 G HA3 -0.346 3.616 3.960 0.003 0.000 0.247 269 G C 1.001 175.926 174.900 0.042 0.000 1.037 269 G CA 0.276 45.396 45.100 0.033 0.000 0.622 269 G HN 0.398 nan 8.290 nan 0.000 0.521 270 V N 1.169 121.117 119.914 0.056 0.000 2.358 270 V HA -0.205 3.917 4.120 0.003 0.000 0.246 270 V C 2.674 178.853 176.094 0.143 0.000 1.047 270 V CA 3.001 65.345 62.300 0.074 0.000 1.035 270 V CB -0.516 31.358 31.823 0.084 0.000 0.658 270 V HN 0.642 nan 8.190 nan 0.000 0.452 271 Q N 0.018 119.944 119.800 0.209 0.000 2.045 271 Q HA -0.291 4.051 4.340 0.003 0.000 0.206 271 Q C 2.413 178.503 176.000 0.151 0.000 0.991 271 Q CA 2.336 58.312 55.803 0.289 0.000 0.851 271 Q CB -0.236 28.638 28.738 0.227 0.000 0.911 271 Q HN 0.665 nan 8.270 nan 0.000 0.418 272 E N 0.112 120.367 120.200 0.090 0.000 2.085 272 E HA -0.208 4.144 4.350 0.003 0.000 0.194 272 E C 2.150 178.760 176.600 0.015 0.000 0.994 272 E CA 1.035 57.464 56.400 0.048 0.000 0.801 272 E CB -0.187 29.535 29.700 0.036 0.000 0.743 272 E HN 0.458 nan 8.360 nan 0.000 0.453 273 L N 0.447 121.674 121.223 0.006 0.000 1.997 273 L HA -0.234 4.108 4.340 0.003 0.000 0.216 273 L C 2.775 179.606 176.870 -0.065 0.000 1.074 273 L CA 2.027 56.852 54.840 -0.026 0.000 0.763 273 L CB -0.509 41.532 42.059 -0.031 0.000 0.890 273 L HN 0.201 nan 8.230 nan 0.000 0.434 274 V N -2.764 117.076 119.914 -0.123 0.000 2.446 274 V HA -0.153 3.969 4.120 0.003 0.000 0.244 274 V C 2.096 178.086 176.094 -0.174 0.000 1.039 274 V CA 1.458 63.622 62.300 -0.228 0.000 1.045 274 V CB -0.233 31.277 31.823 -0.522 0.000 0.681 274 V HN 0.379 nan 8.190 nan 0.000 0.459 275 E N 0.167 120.299 120.200 -0.113 0.000 2.209 275 E HA -0.163 4.189 4.350 0.003 0.000 0.196 275 E C 1.970 178.559 176.600 -0.019 0.000 0.993 275 E CA 1.755 58.139 56.400 -0.026 0.000 0.819 275 E CB -0.138 29.599 29.700 0.062 0.000 0.745 275 E HN 0.671 nan 8.360 nan 0.000 0.477 276 T N -1.094 113.446 114.554 -0.023 0.000 3.054 276 T HA 0.133 4.485 4.350 0.003 0.000 0.255 276 T C 0.262 174.950 174.700 -0.020 0.000 1.035 276 T CA -0.012 62.080 62.100 -0.013 0.000 0.941 276 T CB 0.155 69.021 68.868 -0.002 0.000 1.026 276 T HN 0.019 nan 8.240 nan 0.000 0.533 277 S N 1.326 117.005 115.700 -0.034 0.000 2.552 277 S HA -0.009 4.463 4.470 0.003 0.000 0.289 277 S C 1.256 175.844 174.600 -0.019 0.000 1.304 277 S CA -0.307 57.875 58.200 -0.030 0.000 1.063 277 S CB 0.518 63.692 63.200 -0.043 0.000 0.848 277 S HN 0.314 nan 8.310 nan 0.000 0.499 278 D N 2.995 123.387 120.400 -0.012 0.000 2.149 278 D HA 0.009 4.651 4.640 0.003 0.000 0.198 278 D C 0.330 176.629 176.300 -0.002 0.000 0.990 278 D CA 1.476 55.473 54.000 -0.006 0.000 0.839 278 D CB 0.019 40.817 40.800 -0.003 0.000 0.948 278 D HN 0.669 nan 8.370 nan 0.000 0.460 279 A N 0.189 123.007 122.820 -0.002 0.000 2.768 279 A HA 0.387 4.709 4.320 0.003 0.000 0.298 279 A C -1.302 176.286 177.584 0.006 0.000 1.159 279 A CA -0.616 51.425 52.037 0.007 0.000 0.783 279 A CB 0.336 19.345 19.000 0.014 0.000 1.333 279 A HN 0.095 nan 8.150 nan 0.000 0.412 280 L N 2.992 124.219 121.223 0.005 0.000 2.342 280 L HA 0.400 4.742 4.340 0.003 0.000 0.285 280 L C -0.239 176.651 176.870 0.034 0.000 1.095 280 L CA -0.151 54.690 54.840 0.002 0.000 0.843 280 L CB 0.528 42.579 42.059 -0.013 0.000 1.201 280 L HN 0.649 nan 8.230 nan 0.000 0.445 281 L N 6.091 127.333 121.223 0.032 0.000 2.385 281 L HA 0.169 4.511 4.340 0.003 0.000 0.285 281 L C -0.441 176.467 176.870 0.063 0.000 1.125 281 L CA -0.182 54.694 54.840 0.061 0.000 0.890 281 L CB 0.241 42.332 42.059 0.053 0.000 1.251 281 L HN 0.746 nan 8.230 nan 0.000 0.445 282 C N 6.772 126.129 119.300 0.095 0.000 2.223 282 C HA 0.485 4.947 4.460 0.003 0.000 0.324 282 C C 0.191 175.240 174.990 0.097 0.000 1.196 282 C CA -0.750 58.337 59.018 0.115 0.000 1.628 282 C CB -0.871 26.991 27.740 0.203 0.000 2.229 282 C HN 0.623 nan 8.230 nan 0.000 0.486 283 I N 6.268 126.876 120.570 0.063 0.000 2.355 283 I HA 0.436 4.608 4.170 0.003 0.000 0.288 283 I C 0.989 177.120 176.117 0.022 0.000 0.999 283 I CA -0.073 61.263 61.300 0.060 0.000 1.163 283 I CB 1.314 39.358 38.000 0.073 0.000 1.316 283 I HN 0.856 nan 8.210 nan 0.000 0.454 284 A N 5.789 128.614 122.820 0.008 0.000 2.791 284 A HA -0.117 4.205 4.320 0.003 0.000 0.292 284 A C -2.404 175.129 177.584 -0.084 0.000 1.487 284 A CA -0.213 51.811 52.037 -0.022 0.000 0.760 284 A CB -1.971 17.028 19.000 -0.002 0.000 1.031 284 A HN 0.483 nan 8.150 nan 0.000 0.503 285 P HA 0.478 nan 4.420 nan 0.000 0.277 285 P C -0.341 176.710 177.300 -0.415 0.000 1.240 285 P CA -0.167 62.681 63.100 -0.419 0.000 0.798 285 P CB 1.542 32.757 31.700 -0.809 0.000 0.979 286 V N 3.157 122.804 119.914 -0.445 0.000 2.325 286 V HA 0.247 4.369 4.120 0.003 0.000 0.280 286 V C -0.380 175.528 176.094 -0.310 0.000 1.016 286 V CA -0.325 61.804 62.300 -0.285 0.000 0.818 286 V CB 0.070 31.800 31.823 -0.154 0.000 1.019 286 V HN 0.306 nan 8.190 nan 0.000 0.434 287 F N 5.387 125.319 119.950 -0.030 0.000 2.368 287 F HA 0.491 5.020 4.527 0.003 0.000 0.362 287 F C 0.664 176.355 175.800 -0.182 0.000 1.137 287 F CA -0.745 57.162 58.000 -0.155 0.000 1.161 287 F CB 0.492 39.325 39.000 -0.278 0.000 1.265 287 F HN 0.696 nan 8.300 nan 0.000 0.530 288 N N 0.175 118.856 118.700 -0.032 0.000 3.091 288 N HA 0.250 4.992 4.740 0.003 0.000 0.329 288 N C 0.447 175.604 175.510 -0.588 0.000 1.430 288 N CA -0.736 52.238 53.050 -0.127 0.000 0.755 288 N CB 0.314 38.764 38.487 -0.061 0.000 1.626 288 N HN 0.230 nan 8.380 nan 0.000 0.614 289 D N -1.515 118.456 120.400 -0.714 0.000 2.219 289 D HA -0.178 4.464 4.640 0.003 0.000 0.205 289 D C 0.875 177.009 176.300 -0.277 0.000 0.970 289 D CA 1.323 54.715 54.000 -1.014 0.000 0.851 289 D CB -0.337 40.123 40.800 -0.566 0.000 0.943 289 D HN 0.431 nan 8.370 nan 0.000 0.488 290 Y N 1.816 122.036 120.300 -0.133 0.000 2.206 290 Y HA -0.044 4.508 4.550 0.003 0.000 0.292 290 Y C 3.002 179.162 175.900 0.433 0.000 1.123 290 Y CA 0.726 58.991 58.100 0.275 0.000 1.142 290 Y CB -0.828 37.847 38.460 0.359 0.000 1.006 290 Y HN 0.123 nan 8.280 nan 0.000 0.518 291 S N -1.042 114.838 115.700 0.300 0.000 2.406 291 S HA -0.118 4.354 4.470 0.003 0.000 0.228 291 S C 1.770 176.541 174.600 0.285 0.000 1.020 291 S CA 1.381 59.695 58.200 0.190 0.000 0.965 291 S CB -1.159 62.015 63.200 -0.043 0.000 0.798 291 S HN 0.501 nan 8.310 nan 0.000 0.488 292 T N -0.698 113.920 114.554 0.106 0.000 3.129 292 T HA 0.313 4.665 4.350 0.003 0.000 0.251 292 T C 0.489 175.212 174.700 0.038 0.000 1.117 292 T CA 0.132 62.281 62.100 0.081 0.000 1.034 292 T CB -0.764 68.068 68.868 -0.061 0.000 0.968 292 T HN 0.612 nan 8.240 nan 0.000 0.526 293 V N 1.151 121.103 119.914 0.063 0.000 5.981 293 V HA -0.090 4.032 4.120 0.003 0.000 0.233 293 V C 1.398 177.367 176.094 -0.209 0.000 0.653 293 V CA 0.523 62.777 62.300 -0.077 0.000 0.677 293 V CB -2.739 29.044 31.823 -0.067 0.000 0.632 293 V HN 1.238 nan 8.190 nan 0.000 0.464 294 G N 1.626 110.203 108.800 -0.372 0.000 2.305 294 G HA2 -0.284 3.678 3.960 0.003 0.000 0.287 294 G HA3 -0.284 3.678 3.960 0.003 0.000 0.287 294 G C 0.287 175.064 174.900 -0.205 0.000 1.036 294 G CA 0.799 45.661 45.100 -0.397 0.000 0.887 294 G HN 2.151 nan 8.290 nan 0.000 0.505 295 W N -2.592 118.747 121.300 0.065 0.000 3.160 295 W HA -0.329 4.333 4.660 0.003 0.000 0.299 295 W C 1.845 178.467 176.519 0.172 0.000 1.141 295 W CA 1.021 58.448 57.345 0.137 0.000 0.612 295 W CB -2.116 27.435 29.460 0.151 0.000 2.186 295 W HN 1.108 nan 8.180 nan 0.000 1.364 296 S N -0.839 114.995 115.700 0.224 0.000 2.486 296 S HA 0.516 4.988 4.470 0.003 0.000 0.220 296 S C 0.921 175.637 174.600 0.194 0.000 1.011 296 S CA 0.354 58.660 58.200 0.177 0.000 0.921 296 S CB 0.552 63.803 63.200 0.084 0.000 0.785 296 S HN 0.703 nan 8.310 nan 0.000 0.517 297 A N 0.958 123.911 122.820 0.221 0.000 2.978 297 A HA 0.559 4.881 4.320 0.003 0.000 0.341 297 A C -1.228 176.585 177.584 0.382 0.000 1.105 297 A CA -0.446 51.751 52.037 0.266 0.000 0.819 297 A CB -0.163 18.914 19.000 0.128 0.000 1.080 297 A HN 0.513 nan 8.150 nan 0.000 0.476 298 W N 4.438 125.791 121.300 0.088 0.000 2.533 298 W HA 0.537 5.199 4.660 0.003 0.000 0.291 298 W C -3.158 173.245 176.519 -0.192 0.000 1.013 298 W CA -3.028 54.239 57.345 -0.129 0.000 1.436 298 W CB 1.159 30.595 29.460 -0.040 0.000 1.291 298 W HN 0.342 nan 8.180 nan 0.000 0.396 299 P HA 0.315 nan 4.420 nan 0.000 0.276 299 P C -0.781 176.381 177.300 -0.230 0.000 1.243 299 P CA 0.333 63.384 63.100 -0.083 0.000 0.768 299 P CB 0.970 32.680 31.700 0.018 0.000 0.856 300 K N 1.064 121.308 120.400 -0.260 0.000 2.507 300 K HA 0.806 5.128 4.320 0.003 0.000 0.284 300 K C -0.282 176.216 176.600 -0.170 0.000 1.038 300 K CA -0.946 55.186 56.287 -0.257 0.000 0.903 300 K CB 0.942 33.144 32.500 -0.496 0.000 1.531 300 K HN 0.581 nan 8.250 nan 0.000 0.430 301 G N -0.116 108.605 108.800 -0.132 0.000 2.526 301 G HA2 -0.123 3.839 3.960 0.003 0.000 0.250 301 G HA3 -0.123 3.839 3.960 0.003 0.000 0.250 301 G C -2.071 172.802 174.900 -0.046 0.000 1.289 301 G CA -0.351 44.693 45.100 -0.093 0.000 0.947 301 G HN 0.485 nan 8.290 nan 0.000 0.517 302 P HA -0.064 nan 4.420 nan 0.000 0.218 302 P C 1.162 178.463 177.300 0.000 0.000 1.148 302 P CA 1.445 64.538 63.100 -0.011 0.000 0.822 302 P CB -0.103 31.590 31.700 -0.013 0.000 0.784 303 N N -0.419 118.276 118.700 -0.008 0.000 2.461 303 N HA 0.034 4.776 4.740 0.003 0.000 0.188 303 N C 0.091 175.607 175.510 0.009 0.000 1.134 303 N CA 0.290 53.340 53.050 -0.000 0.000 0.878 303 N CB 0.223 38.704 38.487 -0.009 0.000 0.972 303 N HN 0.102 nan 8.380 nan 0.000 0.456 304 V N 1.873 121.796 119.914 0.014 0.000 2.398 304 V HA 0.355 4.477 4.120 0.003 0.000 0.286 304 V C 0.257 176.387 176.094 0.060 0.000 1.026 304 V CA -0.715 61.606 62.300 0.035 0.000 0.868 304 V CB 1.843 33.686 31.823 0.032 0.000 0.982 304 V HN -0.044 nan 8.190 nan 0.000 0.443 305 I N 5.935 126.552 120.570 0.078 0.000 2.287 305 I HA 0.241 4.413 4.170 0.003 0.000 0.290 305 I C -0.337 175.844 176.117 0.106 0.000 1.069 305 I CA -0.307 61.052 61.300 0.098 0.000 1.237 305 I CB 1.020 39.093 38.000 0.120 0.000 1.418 305 I HN 0.379 nan 8.210 nan 0.000 0.481 306 L N 7.595 128.877 121.223 0.098 0.000 2.268 306 L HA 0.557 4.899 4.340 0.003 0.000 0.289 306 L C 0.251 177.150 176.870 0.048 0.000 1.064 306 L CA -0.084 54.821 54.840 0.108 0.000 0.824 306 L CB 0.525 42.661 42.059 0.129 0.000 1.202 306 L HN 0.637 nan 8.230 nan 0.000 0.433 307 A N 5.620 128.466 122.820 0.044 0.000 2.316 307 A HA 0.609 4.931 4.320 0.003 0.000 0.324 307 A C -0.076 177.504 177.584 -0.005 0.000 1.375 307 A CA -0.600 51.422 52.037 -0.023 0.000 0.882 307 A CB 0.088 19.119 19.000 0.051 0.000 1.152 307 A HN 0.762 nan 8.150 nan 0.000 0.512 308 E N 2.659 122.835 120.200 -0.040 0.000 2.267 308 E HA 0.281 4.633 4.350 0.003 0.000 0.258 308 E C -1.794 174.779 176.600 -0.046 0.000 1.074 308 E CA -2.007 54.374 56.400 -0.032 0.000 0.915 308 E CB 0.785 30.467 29.700 -0.029 0.000 1.186 308 E HN 0.288 nan 8.360 nan 0.000 0.439 309 P HA -0.135 nan 4.420 nan 0.000 0.226 309 P C 0.138 177.401 177.300 -0.063 0.000 1.146 309 P CA 1.401 64.479 63.100 -0.036 0.000 0.773 309 P CB 0.264 31.937 31.700 -0.045 0.000 0.772 310 D N -2.368 117.959 120.400 -0.121 0.000 2.449 310 D HA 0.099 4.741 4.640 0.003 0.000 0.255 310 D C 0.511 176.588 176.300 -0.371 0.000 1.121 310 D CA 0.178 54.063 54.000 -0.192 0.000 0.830 310 D CB 0.977 41.695 40.800 -0.136 0.000 1.280 310 D HN 0.124 nan 8.370 nan 0.000 0.522 311 R N -1.239 119.052 120.500 -0.347 0.000 2.690 311 R HA 0.619 4.961 4.340 0.003 0.000 0.269 311 R C -2.001 174.146 176.300 -0.255 0.000 1.037 311 R CA -0.790 55.075 56.100 -0.391 0.000 0.877 311 R CB 1.048 31.214 30.300 -0.225 0.000 1.255 311 R HN -0.205 nan 8.270 nan 0.000 0.467 312 V N 1.046 120.864 119.914 -0.160 0.000 2.638 312 V HA 0.496 4.618 4.120 0.003 0.000 0.306 312 V C -0.758 175.387 176.094 0.085 0.000 1.052 312 V CA -0.615 61.621 62.300 -0.106 0.000 0.885 312 V CB 2.364 33.977 31.823 -0.350 0.000 0.999 312 V HN 0.889 nan 8.190 nan 0.000 0.424 313 T N 3.985 118.580 114.554 0.067 0.000 2.791 313 T HA 0.655 5.007 4.350 0.003 0.000 0.288 313 T C -0.811 173.964 174.700 0.126 0.000 0.999 313 T CA -0.485 61.677 62.100 0.103 0.000 0.952 313 T CB 1.497 70.395 68.868 0.050 0.000 0.938 313 T HN 0.588 nan 8.240 nan 0.000 0.444 314 V N 3.366 123.396 119.914 0.192 0.000 2.711 314 V HA 0.491 4.613 4.120 0.003 0.000 0.304 314 V C -0.883 175.312 176.094 0.168 0.000 1.097 314 V CA -0.565 61.837 62.300 0.169 0.000 0.906 314 V CB 1.711 33.639 31.823 0.174 0.000 1.015 314 V HN 0.935 nan 8.190 nan 0.000 0.427 315 D N 4.785 125.246 120.400 0.101 0.000 2.723 315 D HA -0.104 4.538 4.640 0.003 0.000 0.236 315 D C 0.977 177.314 176.300 0.062 0.000 1.138 315 D CA 2.191 56.237 54.000 0.078 0.000 0.676 315 D CB -1.188 39.667 40.800 0.091 0.000 1.069 315 D HN 2.249 nan 8.370 nan 0.000 0.430 316 G N -0.345 108.478 108.800 0.038 0.000 2.143 316 G HA2 -0.329 3.633 3.960 0.003 0.000 0.248 316 G HA3 -0.329 3.633 3.960 0.003 0.000 0.248 316 G C 0.313 175.199 174.900 -0.024 0.000 0.991 316 G CA 0.450 45.553 45.100 0.005 0.000 0.689 316 G HN 0.641 nan 8.290 nan 0.000 0.522 317 R N -0.530 119.953 120.500 -0.028 0.000 2.673 317 R HA 0.703 5.045 4.340 0.003 0.000 0.281 317 R C -0.304 175.847 176.300 -0.249 0.000 0.991 317 R CA -0.120 55.866 56.100 -0.191 0.000 0.896 317 R CB 1.971 32.083 30.300 -0.313 0.000 1.201 317 R HN 0.589 nan 8.270 nan 0.000 0.457 318 A N 2.650 125.269 122.820 -0.334 0.000 2.304 318 A HA 0.631 4.953 4.320 0.003 0.000 0.323 318 A C -1.439 175.916 177.584 -0.382 0.000 1.195 318 A CA -0.415 51.486 52.037 -0.227 0.000 0.826 318 A CB 0.502 19.428 19.000 -0.123 0.000 1.184 318 A HN 0.629 nan 8.150 nan 0.000 0.496 319 Y N 2.092 122.388 120.300 -0.007 0.000 2.331 319 Y HA 0.470 5.022 4.550 0.003 0.000 0.334 319 Y C 0.126 175.938 175.900 -0.146 0.000 0.960 319 Y CA -0.900 57.224 58.100 0.041 0.000 1.130 319 Y CB 1.751 40.339 38.460 0.214 0.000 1.164 319 Y HN 0.810 nan 8.280 nan 0.000 0.458 320 D N 0.617 120.977 120.400 -0.067 0.000 2.497 320 D HA 0.558 5.200 4.640 0.003 0.000 0.243 320 D C 0.673 176.796 176.300 -0.295 0.000 1.039 320 D CA -0.565 53.247 54.000 -0.313 0.000 1.052 320 D CB 2.038 42.727 40.800 -0.184 0.000 1.344 320 D HN 0.725 nan 8.370 nan 0.000 0.553 321 G N -0.241 108.351 108.800 -0.347 0.000 2.131 321 G HA2 0.002 3.964 3.960 0.003 0.000 0.201 321 G HA3 0.002 3.964 3.960 0.003 0.000 0.201 321 G C -0.304 174.574 174.900 -0.036 0.000 1.000 321 G CA 0.254 45.274 45.100 -0.133 0.000 0.680 321 G HN 0.787 nan 8.290 nan 0.000 0.514 322 F N -1.231 118.706 119.950 -0.021 0.000 2.686 322 F HA 0.832 5.361 4.527 0.004 0.000 0.311 322 F C 0.095 175.886 175.800 -0.014 0.000 1.128 322 F CA -1.067 56.916 58.000 -0.028 0.000 0.946 322 F CB 0.503 39.490 39.000 -0.022 0.000 1.336 322 F HN 0.413 nan 8.300 nan 0.000 0.457 323 T N -0.143 114.570 114.554 0.265 0.000 2.904 323 T HA 0.313 4.665 4.350 0.003 0.000 0.290 323 T C 0.792 175.670 174.700 0.298 0.000 1.018 323 T CA -0.503 61.699 62.100 0.170 0.000 1.075 323 T CB 1.485 70.414 68.868 0.102 0.000 0.986 323 T HN 0.913 nan 8.240 nan 0.000 0.523 324 L N 1.191 122.525 121.223 0.185 0.000 2.042 324 L HA -0.036 4.306 4.340 0.003 0.000 0.210 324 L C 2.830 179.844 176.870 0.240 0.000 1.076 324 L CA 1.712 56.689 54.840 0.228 0.000 0.749 324 L CB -0.748 41.381 42.059 0.117 0.000 0.893 324 L HN 0.808 nan 8.230 nan 0.000 0.432 325 R N -0.324 120.260 120.500 0.140 0.000 2.083 325 R HA -0.195 4.147 4.340 0.003 0.000 0.237 325 R C 2.063 178.417 176.300 0.090 0.000 1.137 325 R CA 1.688 57.843 56.100 0.092 0.000 0.951 325 R CB -0.550 29.779 30.300 0.048 0.000 0.851 325 R HN 0.542 nan 8.270 nan 0.000 0.434 326 A N 0.198 123.086 122.820 0.112 0.000 1.930 326 A HA -0.177 4.145 4.320 0.003 0.000 0.217 326 A C 1.992 179.597 177.584 0.036 0.000 1.175 326 A CA 1.177 53.253 52.037 0.065 0.000 0.627 326 A CB -0.712 18.327 19.000 0.066 0.000 0.815 326 A HN 0.497 nan 8.150 nan 0.000 0.443 327 F N 0.633 120.555 119.950 -0.047 0.000 2.102 327 F HA -0.109 4.420 4.527 0.003 0.000 0.298 327 F C 1.852 177.610 175.800 -0.070 0.000 1.105 327 F CA 1.704 59.624 58.000 -0.134 0.000 1.239 327 F CB -0.281 38.725 39.000 0.009 0.000 0.991 327 F HN 0.132 nan 8.300 nan 0.000 0.474 328 L N -0.246 120.956 121.223 -0.035 0.000 2.093 328 L HA -0.206 4.136 4.340 0.003 0.000 0.208 328 L C 2.524 179.304 176.870 -0.151 0.000 1.085 328 L CA 1.346 56.109 54.840 -0.128 0.000 0.755 328 L CB -0.820 41.264 42.059 0.042 0.000 0.904 328 L HN 0.225 nan 8.230 nan 0.000 0.435 329 Q N -0.254 119.491 119.800 -0.092 0.000 2.020 329 Q HA -0.186 4.156 4.340 0.003 0.000 0.202 329 Q C 2.439 178.363 176.000 -0.126 0.000 0.982 329 Q CA 1.906 57.660 55.803 -0.081 0.000 0.838 329 Q CB -0.240 28.474 28.738 -0.041 0.000 0.899 329 Q HN 0.541 nan 8.270 nan 0.000 0.423 330 A N 0.339 123.057 122.820 -0.169 0.000 1.933 330 A HA -0.175 4.147 4.320 0.003 0.000 0.218 330 A C 1.982 179.415 177.584 -0.251 0.000 1.175 330 A CA 1.178 53.101 52.037 -0.190 0.000 0.628 330 A CB -0.624 18.255 19.000 -0.201 0.000 0.814 330 A HN 0.389 nan 8.150 nan 0.000 0.444 331 L N -0.295 120.689 121.223 -0.398 0.000 2.093 331 L HA -0.014 4.328 4.340 0.003 0.000 0.208 331 L C 2.617 179.352 176.870 -0.224 0.000 1.085 331 L CA 2.006 56.603 54.840 -0.404 0.000 0.755 331 L CB -0.666 40.998 42.059 -0.658 0.000 0.904 331 L HN 0.329 nan 8.230 nan 0.000 0.435 332 A N -0.824 121.891 122.820 -0.175 0.000 2.019 332 A HA -0.161 4.161 4.320 0.003 0.000 0.219 332 A C 2.073 179.611 177.584 -0.077 0.000 1.164 332 A CA 1.540 53.519 52.037 -0.098 0.000 0.644 332 A CB -0.481 18.480 19.000 -0.066 0.000 0.805 332 A HN 0.593 nan 8.150 nan 0.000 0.449 333 E N 0.065 120.212 120.200 -0.088 0.000 2.106 333 E HA -0.134 4.218 4.350 0.003 0.000 0.192 333 E C 1.307 177.869 176.600 -0.064 0.000 0.984 333 E CA 0.971 57.331 56.400 -0.066 0.000 0.806 333 E CB -0.156 29.503 29.700 -0.067 0.000 0.750 333 E HN 0.487 nan 8.360 nan 0.000 0.458 334 K N 0.151 120.501 120.400 -0.083 0.000 2.354 334 K HA 0.243 4.565 4.320 0.003 0.000 0.194 334 K C 0.778 177.339 176.600 -0.064 0.000 1.045 334 K CA 0.085 56.329 56.287 -0.072 0.000 1.026 334 K CB 0.597 33.045 32.500 -0.086 0.000 0.866 334 K HN -0.035 nan 8.250 nan 0.000 0.530 335 A N 4.504 127.280 122.820 -0.073 0.000 2.531 335 A HA 0.186 4.507 4.320 0.003 0.000 0.236 335 A C -2.059 175.505 177.584 -0.033 0.000 1.062 335 A CA -0.653 51.350 52.037 -0.057 0.000 0.760 335 A CB -0.356 18.608 19.000 -0.061 0.000 0.995 335 A HN -0.010 nan 8.150 nan 0.000 0.501 336 P HA 0.424 nan 4.420 nan 0.000 0.278 336 P C -0.593 176.703 177.300 -0.006 0.000 1.266 336 P CA -0.327 62.765 63.100 -0.013 0.000 0.807 336 P CB 0.974 32.667 31.700 -0.010 0.000 1.094 337 A N 1.669 124.489 122.820 -0.001 0.000 2.309 337 A HA 0.467 4.789 4.320 0.003 0.000 0.290 337 A C 0.096 177.684 177.584 0.007 0.000 1.206 337 A CA -0.222 51.819 52.037 0.007 0.000 0.850 337 A CB -0.423 18.582 19.000 0.009 0.000 1.118 337 A HN 0.366 nan 8.150 nan 0.000 0.523 338 R N 3.226 123.732 120.500 0.010 0.000 2.547 338 R HA 0.364 4.706 4.340 0.003 0.000 0.280 338 R C -2.439 173.869 176.300 0.013 0.000 1.630 338 R CA -1.521 54.584 56.100 0.009 0.000 1.470 338 R CB 1.325 31.628 30.300 0.005 0.000 1.178 338 R HN 0.490 nan 8.270 nan 0.000 0.591 339 P HA 0.080 nan 4.420 nan 0.000 0.251 339 P C 0.841 178.151 177.300 0.016 0.000 1.223 339 P CA 0.264 63.377 63.100 0.021 0.000 0.796 339 P CB 0.559 32.273 31.700 0.022 0.000 1.068 340 A N 1.160 123.986 122.820 0.010 0.000 1.915 340 A HA -0.269 4.053 4.320 0.003 0.000 0.220 340 A C 2.319 179.906 177.584 0.005 0.000 1.198 340 A CA 2.809 54.850 52.037 0.007 0.000 0.647 340 A CB -1.720 17.282 19.000 0.004 0.000 0.825 340 A HN 0.313 nan 8.150 nan 0.000 0.456 341 S N 0.273 115.974 115.700 0.001 0.000 2.382 341 S HA -0.019 4.453 4.470 0.003 0.000 0.228 341 S C 2.182 176.781 174.600 -0.002 0.000 1.027 341 S CA 1.336 59.533 58.200 -0.006 0.000 0.991 341 S CB -0.613 62.578 63.200 -0.016 0.000 0.823 341 S HN 0.895 nan 8.310 nan 0.000 0.469 342 A N 2.450 125.276 122.820 0.010 0.000 1.897 342 A HA -0.120 4.202 4.320 0.003 0.000 0.215 342 A C 2.283 179.880 177.584 0.022 0.000 1.181 342 A CA 1.201 53.252 52.037 0.022 0.000 0.620 342 A CB -0.648 18.379 19.000 0.046 0.000 0.821 342 A HN 0.696 nan 8.150 nan 0.000 0.443 343 Q N -1.228 118.583 119.800 0.019 0.000 2.435 343 Q HA 0.019 4.361 4.340 0.003 0.000 0.207 343 Q C 0.745 176.753 176.000 0.012 0.000 0.956 343 Q CA 1.158 56.971 55.803 0.017 0.000 0.917 343 Q CB -0.174 28.574 28.738 0.016 0.000 0.997 343 Q HN 0.326 nan 8.270 nan 0.000 0.497 344 K N 1.196 121.601 120.400 0.009 0.000 2.410 344 K HA 0.133 4.455 4.320 0.003 0.000 0.200 344 K C -0.471 176.132 176.600 0.005 0.000 1.023 344 K CA 0.069 56.360 56.287 0.006 0.000 1.149 344 K CB 1.053 33.555 32.500 0.004 0.000 0.859 344 K HN 0.366 nan 8.250 nan 0.000 0.514 345 S N -2.383 113.320 115.700 0.005 0.000 2.579 345 S HA 0.582 5.054 4.470 0.003 0.000 0.272 345 S C -0.537 174.067 174.600 0.007 0.000 1.141 345 S CA -1.002 57.199 58.200 0.002 0.000 0.843 345 S CB 1.808 65.003 63.200 -0.010 0.000 1.122 345 S HN -0.115 nan 8.310 nan 0.000 0.468 346 S N 0.764 116.468 115.700 0.006 0.000 2.617 346 S HA 0.558 5.030 4.470 0.003 0.000 0.283 346 S C 0.062 174.670 174.600 0.013 0.000 1.189 346 S CA -0.659 57.550 58.200 0.015 0.000 1.036 346 S CB 1.512 64.722 63.200 0.017 0.000 1.014 346 S HN 1.028 nan 8.310 nan 0.000 0.522 347 V N 4.884 124.819 119.914 0.035 0.000 2.599 347 V HA 0.190 4.312 4.120 0.003 0.000 0.300 347 V C -2.034 174.088 176.094 0.047 0.000 1.034 347 V CA -1.513 60.822 62.300 0.057 0.000 1.115 347 V CB 0.244 32.125 31.823 0.096 0.000 0.934 347 V HN 0.694 nan 8.190 nan 0.000 0.485 348 P HA 0.204 nan 4.420 nan 0.000 0.271 348 P C -0.512 176.835 177.300 0.079 0.000 1.216 348 P CA 0.186 63.306 63.100 0.033 0.000 0.771 348 P CB 1.020 32.718 31.700 -0.004 0.000 0.864 349 T N 1.540 116.131 114.554 0.061 0.000 2.916 349 T HA 0.487 4.839 4.350 0.003 0.000 0.292 349 T C -1.416 173.318 174.700 0.057 0.000 1.064 349 T CA -0.519 61.618 62.100 0.061 0.000 1.011 349 T CB 0.962 69.858 68.868 0.046 0.000 1.152 349 T HN 0.548 nan 8.240 nan 0.000 0.510 350 C N 2.880 122.212 119.300 0.053 0.000 2.432 350 C HA 0.709 5.171 4.460 0.003 0.000 0.334 350 C C 0.164 175.177 174.990 0.038 0.000 1.155 350 C CA -0.556 58.492 59.018 0.049 0.000 1.335 350 C CB 0.166 27.941 27.740 0.059 0.000 1.964 350 C HN 0.896 nan 8.230 nan 0.000 0.444 351 S N 5.150 120.870 115.700 0.033 0.000 2.455 351 S HA 0.568 5.040 4.470 0.003 0.000 0.278 351 S C -0.541 174.073 174.600 0.025 0.000 1.216 351 S CA -0.062 58.153 58.200 0.026 0.000 1.055 351 S CB -0.090 63.124 63.200 0.022 0.000 0.939 351 S HN 0.668 nan 8.310 nan 0.000 0.494 352 L N 4.231 125.468 121.223 0.023 0.000 2.343 352 L HA 0.359 4.701 4.340 0.003 0.000 0.278 352 L C 0.548 177.430 176.870 0.021 0.000 0.996 352 L CA -0.643 54.210 54.840 0.022 0.000 0.831 352 L CB 1.916 43.989 42.059 0.024 0.000 1.232 352 L HN 0.488 nan 8.230 nan 0.000 0.413 353 T N 2.760 117.326 114.554 0.019 0.000 2.834 353 T HA 0.493 4.845 4.350 0.003 0.000 0.298 353 T C 0.181 174.895 174.700 0.023 0.000 0.966 353 T CA -0.382 61.729 62.100 0.018 0.000 1.141 353 T CB 0.521 69.397 68.868 0.014 0.000 0.905 353 T HN 0.641 nan 8.240 nan 0.000 0.535 354 A N 4.518 127.352 122.820 0.023 0.000 2.310 354 A HA 0.660 4.982 4.320 0.003 0.000 0.299 354 A C 0.589 178.190 177.584 0.028 0.000 1.147 354 A CA -0.583 51.471 52.037 0.029 0.000 0.818 354 A CB 1.255 20.270 19.000 0.024 0.000 1.096 354 A HN 0.876 nan 8.150 nan 0.000 0.495 355 T N -0.134 114.442 114.554 0.036 0.000 2.841 355 T HA 0.644 4.996 4.350 0.003 0.000 0.276 355 T C 0.575 175.295 174.700 0.033 0.000 1.003 355 T CA 0.207 62.325 62.100 0.030 0.000 0.995 355 T CB 0.914 69.799 68.868 0.028 0.000 1.260 355 T HN 1.332 nan 8.240 nan 0.000 0.581 356 S N 0.420 116.136 115.700 0.028 0.000 2.693 356 S HA 0.320 4.792 4.470 0.003 0.000 0.276 356 S C 0.749 175.370 174.600 0.034 0.000 1.192 356 S CA -0.402 57.815 58.200 0.028 0.000 0.994 356 S CB 0.815 64.027 63.200 0.021 0.000 1.012 356 S HN 0.674 nan 8.310 nan 0.000 0.550 357 D N 0.679 121.101 120.400 0.036 0.000 2.133 357 D HA -0.097 4.545 4.640 0.003 0.000 0.195 357 D C 1.450 177.767 176.300 0.029 0.000 0.997 357 D CA 1.495 55.520 54.000 0.041 0.000 0.840 357 D CB 0.008 40.830 40.800 0.036 0.000 0.947 357 D HN 0.694 nan 8.370 nan 0.000 0.452 358 E N -0.230 119.983 120.200 0.022 0.000 2.481 358 E HA 0.229 4.581 4.350 0.003 0.000 0.198 358 E C 0.535 177.143 176.600 0.012 0.000 1.027 358 E CA -0.121 56.289 56.400 0.016 0.000 0.900 358 E CB 0.455 30.163 29.700 0.014 0.000 0.993 358 E HN 0.109 nan 8.360 nan 0.000 0.482 359 A N 1.331 124.159 122.820 0.013 0.000 2.425 359 A HA 0.406 4.728 4.320 0.003 0.000 0.242 359 A C 0.916 178.503 177.584 0.006 0.000 1.077 359 A CA 0.384 52.427 52.037 0.010 0.000 0.781 359 A CB 0.104 19.111 19.000 0.012 0.000 1.020 359 A HN 0.121 nan 8.150 nan 0.000 0.494 360 G N -0.161 108.641 108.800 0.004 0.000 2.414 360 G HA2 0.380 4.342 3.960 0.003 0.000 0.236 360 G HA3 0.380 4.342 3.960 0.003 0.000 0.236 360 G C 0.043 174.940 174.900 -0.004 0.000 1.293 360 G CA -0.302 44.798 45.100 0.001 0.000 0.869 360 G HN 0.856 nan 8.290 nan 0.000 0.556 361 L N 1.562 122.779 121.223 -0.011 0.000 2.485 361 L HA 0.380 4.722 4.340 0.003 0.000 0.275 361 L C 0.749 177.610 176.870 -0.015 0.000 1.207 361 L CA 0.729 55.556 54.840 -0.022 0.000 0.855 361 L CB 0.848 42.887 42.059 -0.033 0.000 1.114 361 L HN 0.477 nan 8.230 nan 0.000 0.485 362 T N 3.952 118.496 114.554 -0.016 0.000 2.893 362 T HA 0.206 4.558 4.350 0.003 0.000 0.291 362 T C 0.853 175.546 174.700 -0.010 0.000 1.028 362 T CA -0.218 61.877 62.100 -0.008 0.000 0.995 362 T CB 1.614 70.483 68.868 0.002 0.000 1.051 362 T HN 0.726 nan 8.240 nan 0.000 0.470 363 N N 1.734 120.429 118.700 -0.007 0.000 2.037 363 N HA -0.173 4.569 4.740 0.003 0.000 0.196 363 N C 1.224 176.734 175.510 -0.001 0.000 1.034 363 N CA 2.044 55.091 53.050 -0.006 0.000 0.861 363 N CB -0.038 38.447 38.487 -0.002 0.000 1.039 363 N HN 0.517 nan 8.380 nan 0.000 0.427 364 D N -0.397 120.008 120.400 0.008 0.000 2.149 364 D HA -0.136 4.506 4.640 0.003 0.000 0.198 364 D C 1.691 178.010 176.300 0.031 0.000 0.990 364 D CA 0.870 54.880 54.000 0.018 0.000 0.839 364 D CB -0.282 40.530 40.800 0.019 0.000 0.948 364 D HN 0.406 nan 8.370 nan 0.000 0.460 365 E N -0.044 120.176 120.200 0.034 0.000 2.208 365 E HA -0.014 4.338 4.350 0.003 0.000 0.193 365 E C 2.015 178.663 176.600 0.080 0.000 0.988 365 E CA 0.387 56.834 56.400 0.078 0.000 0.828 365 E CB -0.122 29.608 29.700 0.049 0.000 0.763 365 E HN 0.302 nan 8.360 nan 0.000 0.478 366 I N -0.597 119.964 120.570 -0.013 0.000 2.252 366 I HA -0.241 3.931 4.170 0.003 0.000 0.245 366 I C 2.049 178.123 176.117 -0.070 0.000 1.102 366 I CA 0.656 61.913 61.300 -0.072 0.000 1.385 366 I CB -0.178 37.771 38.000 -0.086 0.000 1.064 366 I HN 0.022 nan 8.210 nan 0.000 0.414 367 V N 0.651 120.543 119.914 -0.037 0.000 2.343 367 V HA -0.298 3.824 4.120 0.003 0.000 0.247 367 V C 2.589 178.676 176.094 -0.012 0.000 1.051 367 V CA 1.852 64.129 62.300 -0.038 0.000 1.036 367 V CB -0.776 31.044 31.823 -0.006 0.000 0.654 367 V HN 0.362 nan 8.190 nan 0.000 0.451 368 R N -1.080 119.443 120.500 0.038 0.000 2.091 368 R HA -0.181 4.161 4.340 0.003 0.000 0.238 368 R C 2.354 178.656 176.300 0.003 0.000 1.136 368 R CA 1.890 58.009 56.100 0.032 0.000 0.959 368 R CB -0.271 30.064 30.300 0.059 0.000 0.856 368 R HN 0.619 nan 8.270 nan 0.000 0.437 369 H N -0.386 118.648 119.070 -0.060 0.000 2.363 369 H HA -0.013 4.545 4.556 0.003 0.000 0.301 369 H C 1.894 177.166 175.328 -0.094 0.000 1.074 369 H CA 1.726 57.743 56.048 -0.052 0.000 1.354 369 H CB -0.022 29.723 29.762 -0.029 0.000 1.397 369 H HN 0.145 nan 8.280 nan 0.000 0.516 370 I N 0.084 120.598 120.570 -0.093 0.000 2.226 370 I HA -0.272 3.900 4.170 0.003 0.000 0.245 370 I C 2.163 178.233 176.117 -0.079 0.000 1.100 370 I CA 1.278 62.455 61.300 -0.204 0.000 1.374 370 I CB -0.350 37.404 38.000 -0.409 0.000 1.057 370 I HN 0.343 nan 8.210 nan 0.000 0.413 371 N N 0.667 119.332 118.700 -0.058 0.000 2.137 371 N HA -0.206 4.536 4.740 0.003 0.000 0.190 371 N C 1.863 177.357 175.510 -0.026 0.000 1.017 371 N CA 1.193 54.223 53.050 -0.033 0.000 0.859 371 N CB -0.021 38.452 38.487 -0.023 0.000 1.002 371 N HN 0.351 nan 8.380 nan 0.000 0.428 372 A N 0.420 123.220 122.820 -0.033 0.000 2.066 372 A HA -0.028 4.294 4.320 0.003 0.000 0.218 372 A C 2.054 179.635 177.584 -0.005 0.000 1.157 372 A CA 0.577 52.595 52.037 -0.032 0.000 0.670 372 A CB -0.359 18.600 19.000 -0.069 0.000 0.804 372 A HN 0.326 nan 8.150 nan 0.000 0.453 373 L N -0.237 120.995 121.223 0.016 0.000 2.156 373 L HA 0.048 4.390 4.340 0.003 0.000 0.208 373 L C 0.325 177.212 176.870 0.028 0.000 1.095 373 L CA 0.231 55.099 54.840 0.046 0.000 0.770 373 L CB -0.283 41.836 42.059 0.099 0.000 0.914 373 L HN 0.318 nan 8.230 nan 0.000 0.439 374 L N 0.784 122.013 121.223 0.010 0.000 2.559 374 L HA 0.014 4.356 4.340 0.003 0.000 0.274 374 L C 0.547 177.412 176.870 -0.008 0.000 1.205 374 L CA 0.113 54.952 54.840 -0.001 0.000 0.907 374 L CB 0.111 42.163 42.059 -0.012 0.000 1.153 374 L HN 0.238 nan 8.230 nan 0.000 0.490 375 T N -2.131 112.415 114.554 -0.013 0.000 2.910 375 T HA 0.260 4.612 4.350 0.003 0.000 0.287 375 T C 0.985 175.667 174.700 -0.030 0.000 1.050 375 T CA -0.176 61.913 62.100 -0.019 0.000 1.011 375 T CB 1.610 70.470 68.868 -0.013 0.000 1.195 375 T HN 0.549 nan 8.240 nan 0.000 0.540 376 S N 0.024 115.705 115.700 -0.033 0.000 2.469 376 S HA -0.116 4.356 4.470 0.003 0.000 0.238 376 S C 1.333 175.907 174.600 -0.044 0.000 0.998 376 S CA 1.180 59.356 58.200 -0.040 0.000 0.957 376 S CB -0.782 62.394 63.200 -0.039 0.000 0.764 376 S HN 0.760 nan 8.310 nan 0.000 0.514 377 N N 1.172 119.846 118.700 -0.042 0.000 2.268 377 N HA 0.164 4.906 4.740 0.003 0.000 0.204 377 N C -0.731 174.731 175.510 -0.079 0.000 1.124 377 N CA 0.064 53.083 53.050 -0.052 0.000 0.838 377 N CB 0.215 38.681 38.487 -0.035 0.000 0.994 377 N HN 0.305 nan 8.380 nan 0.000 0.489 378 T N -0.430 114.079 114.554 -0.076 0.000 2.907 378 T HA 0.354 4.706 4.350 0.003 0.000 0.284 378 T C -0.361 174.260 174.700 -0.131 0.000 1.004 378 T CA -0.226 61.816 62.100 -0.097 0.000 1.063 378 T CB 1.577 70.418 68.868 -0.045 0.000 0.992 378 T HN -0.085 nan 8.240 nan 0.000 0.483 379 T N 3.529 117.957 114.554 -0.211 0.000 2.815 379 T HA 0.455 4.807 4.350 0.003 0.000 0.289 379 T C -0.686 173.981 174.700 -0.054 0.000 1.000 379 T CA -0.563 61.440 62.100 -0.163 0.000 0.958 379 T CB 0.562 69.256 68.868 -0.290 0.000 0.944 379 T HN 0.352 nan 8.240 nan 0.000 0.442 380 L N 4.859 126.087 121.223 0.008 0.000 2.272 380 L HA 0.620 4.962 4.340 0.003 0.000 0.289 380 L C -0.887 176.039 176.870 0.093 0.000 1.032 380 L CA -0.722 54.150 54.840 0.054 0.000 0.810 380 L CB 1.049 43.130 42.059 0.036 0.000 1.205 380 L HN 0.381 nan 8.230 nan 0.000 0.422 381 V N 4.611 124.596 119.914 0.117 0.000 2.370 381 V HA 0.542 4.664 4.120 0.003 0.000 0.283 381 V C 0.278 176.486 176.094 0.190 0.000 1.023 381 V CA -0.533 61.853 62.300 0.144 0.000 0.857 381 V CB 1.362 33.200 31.823 0.025 0.000 0.985 381 V HN 0.846 nan 8.190 nan 0.000 0.443 382 A N 3.784 126.781 122.820 0.295 0.000 2.291 382 A HA 0.732 5.054 4.320 0.003 0.000 0.311 382 A C -0.274 177.564 177.584 0.424 0.000 1.224 382 A CA -0.553 51.656 52.037 0.286 0.000 0.821 382 A CB 1.010 20.141 19.000 0.220 0.000 1.172 382 A HN 0.808 nan 8.150 nan 0.000 0.494 383 E N 1.671 122.048 120.200 0.296 0.000 2.392 383 E HA 0.350 4.702 4.350 0.003 0.000 0.259 383 E C 0.121 176.671 176.600 -0.082 0.000 1.108 383 E CA 0.171 56.718 56.400 0.246 0.000 0.916 383 E CB 0.509 30.295 29.700 0.144 0.000 0.989 383 E HN 0.556 nan 8.360 nan 0.000 0.432 384 T N 2.524 116.900 114.554 -0.297 0.000 2.908 384 T HA 0.490 4.842 4.350 0.003 0.000 0.301 384 T C 0.302 174.554 174.700 -0.746 0.000 1.019 384 T CA 0.725 62.173 62.100 -1.087 0.000 1.152 384 T CB 0.089 68.526 68.868 -0.718 0.000 0.966 384 T HN 0.744 nan 8.240 nan 0.000 0.540 385 G N 2.866 111.141 108.800 -0.876 0.000 2.293 385 G HA2 -0.068 3.894 3.960 0.003 0.000 0.282 385 G HA3 -0.068 3.894 3.960 0.003 0.000 0.282 385 G C 0.205 175.032 174.900 -0.121 0.000 1.299 385 G CA -0.115 44.774 45.100 -0.351 0.000 1.018 385 G HN 0.526 nan 8.290 nan 0.000 0.478 386 D N -0.070 120.346 120.400 0.027 0.000 2.309 386 D HA 0.016 4.658 4.640 0.003 0.000 0.212 386 D C 2.446 178.860 176.300 0.191 0.000 0.968 386 D CA 1.810 55.916 54.000 0.176 0.000 0.882 386 D CB -0.059 40.783 40.800 0.070 0.000 0.918 386 D HN 0.279 nan 8.370 nan 0.000 0.503 387 S N -0.531 115.218 115.700 0.082 0.000 2.419 387 S HA -0.128 4.344 4.470 0.003 0.000 0.233 387 S C 1.474 176.175 174.600 0.169 0.000 1.016 387 S CA 0.352 58.612 58.200 0.099 0.000 0.974 387 S CB -0.253 62.990 63.200 0.071 0.000 0.786 387 S HN 0.449 nan 8.310 nan 0.000 0.492 388 W N 1.334 122.582 121.300 -0.087 0.000 2.338 388 W HA -0.030 4.632 4.660 0.003 0.000 0.304 388 W C 1.727 178.046 176.519 -0.335 0.000 1.212 388 W CA 0.345 57.508 57.345 -0.304 0.000 1.264 388 W CB -1.272 27.826 29.460 -0.604 0.000 1.142 388 W HN 0.334 nan 8.180 nan 0.000 0.512 389 F N 0.602 120.669 119.950 0.194 0.000 2.234 389 F HA -0.111 4.418 4.527 0.003 0.000 0.296 389 F C 2.116 177.958 175.800 0.070 0.000 1.089 389 F CA 1.609 59.673 58.000 0.106 0.000 1.343 389 F CB -1.052 37.963 39.000 0.024 0.000 1.040 389 F HN -0.004 nan 8.300 nan 0.000 0.498 390 N N 0.447 119.272 118.700 0.208 0.000 2.467 390 N HA 0.067 4.809 4.740 0.003 0.000 0.184 390 N C 1.790 177.341 175.510 0.068 0.000 1.106 390 N CA 0.713 53.832 53.050 0.115 0.000 0.892 390 N CB -0.125 38.406 38.487 0.074 0.000 0.969 390 N HN 0.235 nan 8.380 nan 0.000 0.454 391 A N 1.952 124.811 122.820 0.063 0.000 1.902 391 A HA -0.074 4.248 4.320 0.003 0.000 0.217 391 A C 2.301 179.889 177.584 0.006 0.000 1.181 391 A CA 1.088 53.139 52.037 0.023 0.000 0.623 391 A CB -0.283 18.726 19.000 0.015 0.000 0.818 391 A HN 0.100 nan 8.150 nan 0.000 0.443 392 M N -0.369 119.240 119.600 0.015 0.000 2.279 392 M HA -0.065 4.417 4.480 0.003 0.000 0.264 392 M C 1.777 178.121 176.300 0.073 0.000 1.062 392 M CA 1.214 56.534 55.300 0.033 0.000 1.099 392 M CB -1.196 31.461 32.600 0.094 0.000 1.394 392 M HN 0.363 nan 8.290 nan 0.000 0.426 393 R N -1.074 119.473 120.500 0.078 0.000 2.310 393 R HA 0.244 4.586 4.340 0.003 0.000 0.202 393 R C 0.164 176.497 176.300 0.055 0.000 0.933 393 R CA -0.046 56.099 56.100 0.075 0.000 1.054 393 R CB -0.019 30.327 30.300 0.076 0.000 0.985 393 R HN 0.297 nan 8.270 nan 0.000 0.489 394 M N 0.284 119.909 119.600 0.041 0.000 2.318 394 M HA 0.159 4.641 4.480 0.003 0.000 0.347 394 M C -0.276 176.045 176.300 0.036 0.000 1.175 394 M CA -0.032 55.283 55.300 0.026 0.000 1.075 394 M CB 2.095 34.698 32.600 0.004 0.000 1.614 394 M HN -0.138 nan 8.290 nan 0.000 0.456 395 T N 4.948 119.520 114.554 0.031 0.000 2.727 395 T HA 0.489 4.841 4.350 0.003 0.000 0.298 395 T C -0.561 174.137 174.700 -0.004 0.000 0.942 395 T CA -0.722 61.397 62.100 0.031 0.000 0.997 395 T CB -0.421 68.471 68.868 0.040 0.000 0.917 395 T HN 0.439 nan 8.240 nan 0.000 0.487 396 L N 3.240 124.445 121.223 -0.031 0.000 2.295 396 L HA 0.694 5.036 4.340 0.003 0.000 0.285 396 L C -2.452 174.378 176.870 -0.066 0.000 1.035 396 L CA -2.455 52.356 54.840 -0.048 0.000 0.806 396 L CB -0.113 41.913 42.059 -0.055 0.000 1.214 396 L HN 0.205 nan 8.230 nan 0.000 0.426 397 P HA 0.049 nan 4.420 nan 0.000 0.269 397 P C -0.517 176.740 177.300 -0.072 0.000 1.215 397 P CA -0.416 62.651 63.100 -0.054 0.000 0.780 397 P CB 0.567 32.244 31.700 -0.039 0.000 0.898 398 R N 0.933 121.386 120.500 -0.078 0.000 2.502 398 R HA 0.206 4.548 4.340 0.003 0.000 0.292 398 R C 1.262 177.518 176.300 -0.074 0.000 0.998 398 R CA 1.452 57.497 56.100 -0.092 0.000 1.056 398 R CB -0.795 29.451 30.300 -0.089 0.000 0.939 398 R HN 0.861 nan 8.270 nan 0.000 0.411 399 G N 2.137 110.892 108.800 -0.076 0.000 2.254 399 G HA2 -0.286 3.676 3.960 0.003 0.000 0.225 399 G HA3 -0.286 3.676 3.960 0.003 0.000 0.225 399 G C 0.074 174.944 174.900 -0.051 0.000 1.003 399 G CA -0.052 45.013 45.100 -0.060 0.000 0.622 399 G HN 0.937 nan 8.290 nan 0.000 0.507 400 A N 0.274 123.063 122.820 -0.053 0.000 2.445 400 A HA 0.730 5.052 4.320 0.003 0.000 0.242 400 A C 0.551 178.116 177.584 -0.031 0.000 1.075 400 A CA 0.726 52.735 52.037 -0.046 0.000 0.777 400 A CB 0.269 19.242 19.000 -0.046 0.000 1.013 400 A HN 0.587 nan 8.150 nan 0.000 0.493 401 R N 0.417 120.902 120.500 -0.026 0.000 2.562 401 R HA 0.610 4.952 4.340 0.003 0.000 0.298 401 R C -1.312 174.994 176.300 0.011 0.000 0.961 401 R CA -0.352 55.753 56.100 0.008 0.000 0.881 401 R CB 2.132 32.438 30.300 0.009 0.000 1.159 401 R HN 0.489 nan 8.270 nan 0.000 0.450 402 V N 2.817 122.745 119.914 0.023 0.000 2.604 402 V HA 0.397 4.519 4.120 0.003 0.000 0.305 402 V C -0.699 175.425 176.094 0.051 0.000 1.043 402 V CA -0.799 61.508 62.300 0.013 0.000 0.888 402 V CB 2.049 33.841 31.823 -0.052 0.000 0.995 402 V HN 0.653 nan 8.190 nan 0.000 0.429 403 E N 4.917 125.189 120.200 0.119 0.000 2.165 403 E HA 0.636 4.988 4.350 0.003 0.000 0.266 403 E C -1.194 175.581 176.600 0.292 0.000 0.889 403 E CA -0.298 56.239 56.400 0.229 0.000 0.756 403 E CB 2.459 32.351 29.700 0.319 0.000 1.131 403 E HN 0.473 nan 8.360 nan 0.000 0.411 404 L N 1.103 122.382 121.223 0.093 0.000 2.333 404 L HA 0.415 4.757 4.340 0.003 0.000 0.263 404 L C 0.481 177.149 176.870 -0.338 0.000 1.014 404 L CA -0.554 54.232 54.840 -0.090 0.000 0.820 404 L CB 2.179 44.062 42.059 -0.293 0.000 1.352 404 L HN 0.400 nan 8.230 nan 0.000 0.421 405 E N 2.114 121.981 120.200 -0.555 0.000 3.896 405 E HA 0.224 4.576 4.350 0.003 0.000 0.217 405 E C 0.235 176.706 176.600 -0.215 0.000 1.150 405 E CA -0.075 55.940 56.400 -0.641 0.000 1.338 405 E CB 0.581 29.356 29.700 -1.543 0.000 1.242 405 E HN 0.670 nan 8.360 nan 0.000 0.435 406 M N 0.387 119.820 119.600 -0.278 0.000 2.558 406 M HA -0.041 4.441 4.480 0.003 0.000 0.255 406 M C 1.830 178.082 176.300 -0.080 0.000 1.113 406 M CA 0.714 55.808 55.300 -0.343 0.000 1.097 406 M CB 0.200 32.323 32.600 -0.795 0.000 1.426 406 M HN 0.161 nan 8.290 nan 0.000 0.488 407 Q N 0.252 120.036 119.800 -0.027 0.000 2.200 407 Q HA -0.058 4.284 4.340 0.003 0.000 0.197 407 Q C 1.827 177.943 176.000 0.193 0.000 0.953 407 Q CA 1.361 57.197 55.803 0.055 0.000 0.851 407 Q CB -0.230 28.538 28.738 0.050 0.000 0.938 407 Q HN 0.604 nan 8.270 nan 0.000 0.488 408 W N 0.573 121.859 121.300 -0.024 0.000 2.444 408 W HA 0.077 4.739 4.660 0.003 0.000 0.308 408 W C 0.571 177.131 176.519 0.069 0.000 1.183 408 W CA 1.423 58.786 57.345 0.029 0.000 1.340 408 W CB -0.021 29.467 29.460 0.047 0.000 1.138 408 W HN 0.379 nan 8.180 nan 0.000 0.510 409 G N 1.202 110.107 108.800 0.176 0.000 2.295 409 G HA2 -0.325 3.637 3.960 0.003 0.000 0.287 409 G HA3 -0.325 3.637 3.960 0.003 0.000 0.287 409 G C -0.207 174.683 174.900 -0.017 0.000 1.055 409 G CA 0.354 45.540 45.100 0.142 0.000 0.922 409 G HN 0.572 nan 8.290 nan 0.000 0.503 410 H N 0.891 119.916 119.070 -0.075 0.000 2.846 410 H HA 0.381 4.939 4.556 0.003 0.000 0.278 410 H C 1.447 176.768 175.328 -0.013 0.000 1.117 410 H CA -0.225 55.796 56.048 -0.046 0.000 1.406 410 H CB 0.039 29.924 29.762 0.204 0.000 1.445 410 H HN 0.641 nan 8.280 nan 0.000 0.469 411 I N 1.363 121.877 120.570 -0.094 0.000 2.815 411 I HA 0.175 4.347 4.170 0.003 0.000 0.291 411 I C 1.198 177.403 176.117 0.145 0.000 1.209 411 I CA 0.978 62.262 61.300 -0.027 0.000 1.431 411 I CB 0.473 38.374 38.000 -0.166 0.000 1.351 411 I HN 0.755 nan 8.210 nan 0.000 0.585 412 G N 4.661 113.549 108.800 0.146 0.000 2.258 412 G HA2 -0.347 3.615 3.960 0.003 0.000 0.233 412 G HA3 -0.347 3.615 3.960 0.003 0.000 0.233 412 G C 0.435 175.379 174.900 0.073 0.000 1.006 412 G CA 0.499 45.682 45.100 0.138 0.000 0.620 412 G HN 1.103 nan 8.290 nan 0.000 0.511 413 W N 1.963 123.146 121.300 -0.196 0.000 2.305 413 W HA -0.058 4.604 4.660 0.003 0.000 0.308 413 W C 2.401 178.777 176.519 -0.238 0.000 1.226 413 W CA 2.849 59.854 57.345 -0.566 0.000 1.253 413 W CB -0.678 28.444 29.460 -0.564 0.000 1.146 413 W HN 0.385 nan 8.180 nan 0.000 0.507 414 S N 0.116 115.740 115.700 -0.126 0.000 2.393 414 S HA -0.330 4.142 4.470 0.003 0.000 0.235 414 S C 1.698 176.075 174.600 -0.371 0.000 1.061 414 S CA 2.784 60.782 58.200 -0.336 0.000 1.129 414 S CB -0.938 62.284 63.200 0.036 0.000 1.011 414 S HN 0.211 nan 8.310 nan 0.000 0.436 415 V N 3.214 123.027 119.914 -0.170 0.000 2.239 415 V HA -0.052 4.070 4.120 0.003 0.000 0.242 415 V C -0.613 175.422 176.094 -0.099 0.000 1.038 415 V CA 1.812 64.066 62.300 -0.077 0.000 1.002 415 V CB -1.776 30.030 31.823 -0.028 0.000 0.641 415 V HN 0.458 nan 8.190 nan 0.000 0.449 416 P HA -0.129 nan 4.420 nan 0.000 0.218 416 P C 1.990 179.248 177.300 -0.070 0.000 1.149 416 P CA 1.845 64.934 63.100 -0.017 0.000 0.817 416 P CB -0.035 31.692 31.700 0.044 0.000 0.785 417 S N -0.079 115.416 115.700 -0.341 0.000 2.368 417 S HA -0.134 4.338 4.470 0.003 0.000 0.225 417 S C 2.095 176.508 174.600 -0.311 0.000 1.030 417 S CA 1.399 59.317 58.200 -0.470 0.000 0.999 417 S CB -0.971 61.456 63.200 -1.289 0.000 0.844 417 S HN 0.136 nan 8.310 nan 0.000 0.459 418 A N 0.499 123.146 122.820 -0.288 0.000 1.972 418 A HA 0.004 4.326 4.320 0.003 0.000 0.219 418 A C 1.935 179.469 177.584 -0.083 0.000 1.169 418 A CA 1.553 53.509 52.037 -0.136 0.000 0.635 418 A CB -0.976 17.983 19.000 -0.069 0.000 0.810 418 A HN 0.684 nan 8.150 nan 0.000 0.446 419 F N 1.216 121.071 119.950 -0.159 0.000 2.075 419 F HA -0.027 4.501 4.527 0.003 0.000 0.297 419 F C 2.275 178.020 175.800 -0.091 0.000 1.113 419 F CA 1.665 59.600 58.000 -0.108 0.000 1.218 419 F CB -0.886 38.076 39.000 -0.064 0.000 0.984 419 F HN 0.174 nan 8.300 nan 0.000 0.472 420 G N 0.303 108.923 108.800 -0.301 0.000 2.418 420 G HA2 -0.339 3.623 3.960 0.003 0.000 0.217 420 G HA3 -0.339 3.623 3.960 0.003 0.000 0.217 420 G C 1.689 176.505 174.900 -0.140 0.000 1.158 420 G CA 0.834 45.750 45.100 -0.308 0.000 0.771 420 G HN 0.429 nan 8.290 nan 0.000 0.545 421 N N 1.444 120.046 118.700 -0.162 0.000 2.104 421 N HA -0.122 4.620 4.740 0.003 0.000 0.190 421 N C 2.522 177.858 175.510 -0.290 0.000 1.024 421 N CA 1.523 54.491 53.050 -0.136 0.000 0.853 421 N CB -0.336 38.134 38.487 -0.028 0.000 1.008 421 N HN 0.248 nan 8.380 nan 0.000 0.424 422 A N 1.394 123.859 122.820 -0.591 0.000 1.877 422 A HA -0.114 4.208 4.320 0.003 0.000 0.216 422 A C 2.338 179.669 177.584 -0.422 0.000 1.186 422 A CA 1.284 52.812 52.037 -0.850 0.000 0.620 422 A CB -0.509 18.075 19.000 -0.693 0.000 0.822 422 A HN 0.266 nan 8.150 nan 0.000 0.443 423 M N -0.550 118.803 119.600 -0.413 0.000 2.144 423 M HA -0.168 4.314 4.480 0.003 0.000 0.260 423 M C 2.067 178.165 176.300 -0.338 0.000 1.067 423 M CA 1.686 56.728 55.300 -0.429 0.000 1.095 423 M CB -1.411 30.883 32.600 -0.512 0.000 1.365 423 M HN 0.509 nan 8.290 nan 0.000 0.406 424 G N -0.909 107.707 108.800 -0.307 0.000 2.985 424 G HA2 0.047 4.009 3.960 0.003 0.000 0.209 424 G HA3 0.047 4.009 3.960 0.003 0.000 0.209 424 G C 0.369 175.112 174.900 -0.262 0.000 1.165 424 G CA 0.606 45.388 45.100 -0.530 0.000 0.776 424 G HN 0.546 nan 8.290 nan 0.000 0.541 425 S N -0.784 114.842 115.700 -0.125 0.000 2.605 425 S HA 0.247 4.719 4.470 0.003 0.000 0.142 425 S C 0.451 175.104 174.600 0.088 0.000 1.452 425 S CA -0.595 57.608 58.200 0.005 0.000 1.240 425 S CB 0.500 63.737 63.200 0.062 0.000 1.538 425 S HN 0.236 nan 8.310 nan 0.000 0.394 426 Q N 1.618 121.431 119.800 0.021 0.000 2.436 426 Q HA -0.089 4.253 4.340 0.003 0.000 0.209 426 Q C 1.369 177.408 176.000 0.064 0.000 0.965 426 Q CA 1.372 57.194 55.803 0.032 0.000 0.910 426 Q CB -0.112 28.629 28.738 0.005 0.000 0.980 426 Q HN 0.876 nan 8.270 nan 0.000 0.491 427 D N 0.222 120.654 120.400 0.053 0.000 2.317 427 D HA -0.082 4.560 4.640 0.003 0.000 0.211 427 D C 0.435 176.755 176.300 0.033 0.000 0.966 427 D CA 0.335 54.356 54.000 0.036 0.000 0.876 427 D CB 0.155 40.965 40.800 0.017 0.000 0.927 427 D HN 0.096 nan 8.370 nan 0.000 0.519 428 R N 0.095 120.625 120.500 0.050 0.000 2.532 428 R HA 0.384 4.725 4.340 0.003 0.000 0.272 428 R C -0.303 175.990 176.300 -0.012 0.000 1.032 428 R CA -0.693 55.388 56.100 -0.032 0.000 1.089 428 R CB 0.750 30.956 30.300 -0.157 0.000 1.098 428 R HN -0.062 nan 8.270 nan 0.000 0.526 429 Q N 1.203 120.956 119.800 -0.079 0.000 2.279 429 Q HA 0.183 4.525 4.340 0.003 0.000 0.256 429 Q C -1.185 174.732 176.000 -0.138 0.000 0.937 429 Q CA 0.197 55.986 55.803 -0.023 0.000 0.933 429 Q CB 0.980 29.717 28.738 -0.001 0.000 1.189 429 Q HN 0.378 nan 8.270 nan 0.000 0.417 430 H N 0.362 119.454 119.070 0.037 0.000 2.504 430 H HA 0.566 5.124 4.556 0.003 0.000 0.322 430 H C -0.956 174.412 175.328 0.068 0.000 1.055 430 H CA -0.519 55.554 56.048 0.042 0.000 1.231 430 H CB 0.998 30.777 29.762 0.028 0.000 1.417 430 H HN 0.284 nan 8.280 nan 0.000 0.472 431 V N 4.795 124.805 119.914 0.159 0.000 2.540 431 V HA 0.364 4.486 4.120 0.003 0.000 0.302 431 V C -0.525 175.683 176.094 0.191 0.000 1.035 431 V CA -0.790 61.627 62.300 0.195 0.000 0.873 431 V CB 2.021 33.971 31.823 0.211 0.000 0.992 431 V HN 0.478 nan 8.190 nan 0.000 0.428 432 V N 5.572 125.614 119.914 0.215 0.000 2.495 432 V HA 0.535 4.657 4.120 0.003 0.000 0.298 432 V C -0.191 176.044 176.094 0.236 0.000 1.031 432 V CA -0.518 61.889 62.300 0.178 0.000 0.871 432 V CB 1.896 33.795 31.823 0.127 0.000 0.988 432 V HN 0.829 nan 8.190 nan 0.000 0.432 433 M N 5.101 124.811 119.600 0.182 0.000 2.114 433 M HA 0.648 5.130 4.480 0.003 0.000 0.332 433 M C -1.085 175.291 176.300 0.126 0.000 1.014 433 M CA -0.570 54.826 55.300 0.161 0.000 0.956 433 M CB 1.876 34.542 32.600 0.109 0.000 1.551 433 M HN 0.461 nan 8.290 nan 0.000 0.427 434 V N 2.916 122.889 119.914 0.097 0.000 2.808 434 V HA 0.821 4.943 4.120 0.003 0.000 0.308 434 V C -0.129 175.970 176.094 0.008 0.000 1.099 434 V CA -0.299 62.048 62.300 0.078 0.000 0.920 434 V CB 2.210 34.120 31.823 0.146 0.000 1.014 434 V HN 0.928 nan 8.190 nan 0.000 0.425 435 G N 3.439 112.238 108.800 -0.002 0.000 2.572 435 G HA2 0.299 4.261 3.960 0.003 0.000 0.261 435 G HA3 0.299 4.261 3.960 0.003 0.000 0.261 435 G C 0.660 175.508 174.900 -0.086 0.000 1.197 435 G CA 0.418 45.489 45.100 -0.048 0.000 0.870 435 G HN 0.938 nan 8.290 nan 0.000 0.548 436 D N 0.092 120.390 120.400 -0.169 0.000 2.144 436 D HA -0.093 4.549 4.640 0.003 0.000 0.200 436 D C 2.193 178.447 176.300 -0.077 0.000 0.978 436 D CA 1.333 55.155 54.000 -0.296 0.000 0.833 436 D CB -0.918 39.685 40.800 -0.329 0.000 0.961 436 D HN 0.472 nan 8.370 nan 0.000 0.470 437 G N 0.381 109.205 108.800 0.040 0.000 2.421 437 G HA2 -0.237 3.725 3.960 0.003 0.000 0.216 437 G HA3 -0.237 3.725 3.960 0.003 0.000 0.216 437 G C 1.857 176.848 174.900 0.152 0.000 1.171 437 G CA 1.132 46.362 45.100 0.216 0.000 0.775 437 G HN 0.361 nan 8.290 nan 0.000 0.543 438 S N 0.292 116.042 115.700 0.083 0.000 2.383 438 S HA -0.072 4.399 4.470 0.003 0.000 0.227 438 S C 1.885 176.552 174.600 0.111 0.000 1.026 438 S CA 0.880 59.117 58.200 0.062 0.000 0.981 438 S CB -0.365 62.862 63.200 0.045 0.000 0.818 438 S HN 0.371 nan 8.310 nan 0.000 0.472 439 F N 2.564 122.495 119.950 -0.032 0.000 2.216 439 F HA -0.138 4.391 4.527 0.003 0.000 0.300 439 F C 2.337 178.165 175.800 0.047 0.000 1.085 439 F CA 1.351 59.355 58.000 0.006 0.000 1.326 439 F CB -0.366 38.607 39.000 -0.045 0.000 1.027 439 F HN 0.202 nan 8.300 nan 0.000 0.497 440 Q N -0.339 119.464 119.800 0.006 0.000 2.224 440 Q HA -0.171 4.171 4.340 0.003 0.000 0.203 440 Q C 2.093 178.141 176.000 0.080 0.000 0.970 440 Q CA 1.236 56.972 55.803 -0.112 0.000 0.865 440 Q CB -0.235 28.315 28.738 -0.312 0.000 0.922 440 Q HN 0.407 nan 8.270 nan 0.000 0.445 441 L N -0.138 121.123 121.223 0.062 0.000 2.093 441 L HA -0.106 4.236 4.340 0.003 0.000 0.208 441 L C 2.044 178.969 176.870 0.092 0.000 1.085 441 L CA 1.800 56.705 54.840 0.107 0.000 0.755 441 L CB -0.079 42.059 42.059 0.131 0.000 0.904 441 L HN 0.293 nan 8.230 nan 0.000 0.435 442 T N -5.866 108.685 114.554 -0.004 0.000 3.209 442 T HA 0.370 4.722 4.350 0.003 0.000 0.295 442 T C 1.546 176.130 174.700 -0.193 0.000 0.977 442 T CA 0.222 62.300 62.100 -0.038 0.000 0.922 442 T CB 0.123 68.990 68.868 -0.002 0.000 1.152 442 T HN 0.062 nan 8.240 nan 0.000 0.527 443 A N 3.119 125.744 122.820 -0.326 0.000 1.940 443 A HA -0.279 4.043 4.320 0.003 0.000 0.221 443 A C 2.471 179.939 177.584 -0.193 0.000 1.190 443 A CA 2.205 53.892 52.037 -0.583 0.000 0.647 443 A CB -0.818 18.048 19.000 -0.223 0.000 0.821 443 A HN 0.735 nan 8.150 nan 0.000 0.457 444 Q N -0.710 119.041 119.800 -0.080 0.000 2.376 444 Q HA -0.228 4.114 4.340 0.003 0.000 0.211 444 Q C 1.269 177.015 176.000 -0.423 0.000 0.986 444 Q CA 1.905 57.581 55.803 -0.213 0.000 0.886 444 Q CB -0.441 28.244 28.738 -0.088 0.000 0.927 444 Q HN 0.645 nan 8.270 nan 0.000 0.457 445 E N 0.703 120.718 120.200 -0.308 0.000 2.427 445 E HA -0.001 4.351 4.350 0.003 0.000 0.196 445 E C 1.777 178.140 176.600 -0.396 0.000 1.028 445 E CA 0.266 56.450 56.400 -0.360 0.000 0.864 445 E CB 0.053 29.593 29.700 -0.267 0.000 0.813 445 E HN 0.229 nan 8.360 nan 0.000 0.514 446 V N 0.269 120.006 119.914 -0.296 0.000 2.594 446 V HA -0.245 3.877 4.120 0.003 0.000 0.253 446 V C 2.181 178.100 176.094 -0.292 0.000 1.069 446 V CA 1.563 63.784 62.300 -0.132 0.000 1.082 446 V CB -0.704 31.247 31.823 0.212 0.000 0.680 446 V HN 0.375 nan 8.190 nan 0.000 0.469 447 A N -0.636 121.742 122.820 -0.736 0.000 1.969 447 A HA -0.199 4.123 4.320 0.003 0.000 0.218 447 A C 2.204 179.589 177.584 -0.331 0.000 1.169 447 A CA 1.302 52.950 52.037 -0.649 0.000 0.635 447 A CB -0.316 18.124 19.000 -0.932 0.000 0.810 447 A HN 0.510 nan 8.150 nan 0.000 0.445 448 Q N -0.459 119.106 119.800 -0.390 0.000 2.079 448 Q HA -0.077 4.265 4.340 0.003 0.000 0.200 448 Q C 2.114 178.080 176.000 -0.057 0.000 0.974 448 Q CA 1.568 57.174 55.803 -0.328 0.000 0.840 448 Q CB -0.584 27.661 28.738 -0.821 0.000 0.898 448 Q HN 0.784 nan 8.270 nan 0.000 0.430 449 M N -0.193 119.356 119.600 -0.085 0.000 2.149 449 M HA -0.164 4.318 4.480 0.003 0.000 0.261 449 M C 2.221 178.615 176.300 0.157 0.000 1.064 449 M CA 1.143 56.564 55.300 0.201 0.000 1.102 449 M CB -0.365 32.331 32.600 0.160 0.000 1.369 449 M HN -0.026 nan 8.290 nan 0.000 0.408 450 V N 0.089 120.041 119.914 0.064 0.000 2.270 450 V HA -0.275 3.847 4.120 0.003 0.000 0.245 450 V C 2.404 178.516 176.094 0.031 0.000 1.043 450 V CA 2.086 64.426 62.300 0.067 0.000 1.014 450 V CB -0.817 31.042 31.823 0.061 0.000 0.645 450 V HN 0.476 nan 8.190 nan 0.000 0.447 451 R N -0.644 119.819 120.500 -0.062 0.000 2.096 451 R HA -0.219 4.123 4.340 0.003 0.000 0.240 451 R C 1.988 178.139 176.300 -0.248 0.000 1.139 451 R CA 2.234 58.206 56.100 -0.213 0.000 0.952 451 R CB -0.293 29.770 30.300 -0.396 0.000 0.854 451 R HN 0.558 nan 8.270 nan 0.000 0.436 452 Y N 0.913 121.287 120.300 0.124 0.000 2.461 452 Y HA 0.191 4.743 4.550 0.003 0.000 0.277 452 Y C -0.169 175.796 175.900 0.108 0.000 1.182 452 Y CA 0.106 58.284 58.100 0.130 0.000 1.276 452 Y CB 0.208 38.782 38.460 0.190 0.000 1.087 452 Y HN 0.176 nan 8.280 nan 0.000 0.519 453 E N 0.292 120.610 120.200 0.198 0.000 2.271 453 E HA -0.233 4.119 4.350 0.003 0.000 0.223 453 E C -0.933 175.754 176.600 0.145 0.000 1.223 453 E CA 0.173 56.667 56.400 0.157 0.000 0.704 453 E CB -1.855 27.922 29.700 0.129 0.000 1.194 453 E HN 0.427 nan 8.360 nan 0.000 0.375 454 L N 1.547 122.869 121.223 0.166 0.000 2.257 454 L HA 0.291 4.633 4.340 0.003 0.000 0.290 454 L C -1.565 175.371 176.870 0.110 0.000 1.044 454 L CA -1.981 52.936 54.840 0.127 0.000 0.810 454 L CB 0.617 42.762 42.059 0.143 0.000 1.193 454 L HN -0.103 nan 8.230 nan 0.000 0.425 455 P HA 0.071 nan 4.420 nan 0.000 0.226 455 P C -0.225 177.131 177.300 0.093 0.000 1.783 455 P CA -0.065 63.086 63.100 0.084 0.000 0.980 455 P CB 0.063 31.805 31.700 0.070 0.000 1.967 456 V N 2.894 122.867 119.914 0.099 0.000 2.530 456 V HA 0.155 4.277 4.120 0.003 0.000 0.282 456 V C 1.040 177.176 176.094 0.071 0.000 1.048 456 V CA -0.353 62.012 62.300 0.110 0.000 0.997 456 V CB 0.982 32.870 31.823 0.109 0.000 0.987 456 V HN 0.208 nan 8.190 nan 0.000 0.477 457 I N 6.150 126.756 120.570 0.059 0.000 2.304 457 I HA 0.378 4.550 4.170 0.003 0.000 0.291 457 I C -0.248 175.828 176.117 -0.067 0.000 1.018 457 I CA 0.018 61.289 61.300 -0.048 0.000 1.260 457 I CB 0.843 38.805 38.000 -0.062 0.000 1.390 457 I HN 0.432 nan 8.210 nan 0.000 0.475 458 I N 6.694 127.182 120.570 -0.137 0.000 2.330 458 I HA 0.255 4.427 4.170 0.003 0.000 0.289 458 I C -0.647 175.328 176.117 -0.237 0.000 1.001 458 I CA -0.355 60.900 61.300 -0.075 0.000 1.193 458 I CB 0.690 38.697 38.000 0.011 0.000 1.345 458 I HN 0.351 nan 8.210 nan 0.000 0.461 459 F N 6.888 126.835 119.950 -0.005 0.000 2.368 459 F HA 0.238 4.766 4.527 0.003 0.000 0.362 459 F C 0.158 175.907 175.800 -0.086 0.000 1.137 459 F CA -0.416 57.563 58.000 -0.035 0.000 1.161 459 F CB 0.692 39.685 39.000 -0.011 0.000 1.265 459 F HN 0.297 nan 8.300 nan 0.000 0.530 460 L N 6.272 127.461 121.223 -0.056 0.000 2.261 460 L HA 0.349 4.691 4.340 0.003 0.000 0.289 460 L C -0.511 176.263 176.870 -0.161 0.000 1.059 460 L CA -0.320 54.390 54.840 -0.217 0.000 0.816 460 L CB 0.359 42.134 42.059 -0.474 0.000 1.191 460 L HN 0.366 nan 8.230 nan 0.000 0.431 461 I N 5.249 125.744 120.570 -0.124 0.000 2.278 461 I HA 0.106 4.277 4.170 0.003 0.000 0.296 461 I C 0.493 176.523 176.117 -0.145 0.000 1.121 461 I CA -0.220 61.028 61.300 -0.086 0.000 1.267 461 I CB -0.228 37.751 38.000 -0.036 0.000 1.447 461 I HN 0.525 nan 8.210 nan 0.000 0.509 462 N N 6.011 124.621 118.700 -0.151 0.000 2.555 462 N HA 0.045 4.787 4.740 0.003 0.000 0.244 462 N C 0.535 176.018 175.510 -0.044 0.000 1.114 462 N CA -0.104 52.866 53.050 -0.133 0.000 0.963 462 N CB 0.171 38.610 38.487 -0.079 0.000 1.276 462 N HN 0.452 nan 8.380 nan 0.000 0.510 463 N N 2.200 120.876 118.700 -0.040 0.000 2.204 463 N HA 0.111 4.853 4.740 0.003 0.000 0.219 463 N C -0.511 175.000 175.510 0.001 0.000 1.151 463 N CA -0.279 52.763 53.050 -0.013 0.000 0.867 463 N CB 0.269 38.746 38.487 -0.016 0.000 1.043 463 N HN 0.216 nan 8.380 nan 0.000 0.516 464 R N -0.494 120.010 120.500 0.006 0.000 3.418 464 R HA -0.061 4.281 4.340 0.003 0.000 0.274 464 R C 0.278 176.569 176.300 -0.015 0.000 1.108 464 R CA 0.858 56.973 56.100 0.026 0.000 0.741 464 R CB -2.261 28.075 30.300 0.059 0.000 1.223 464 R HN 0.734 nan 8.270 nan 0.000 0.434 465 G N -1.171 107.579 108.800 -0.084 0.000 2.369 465 G HA2 0.109 4.071 3.960 0.003 0.000 0.293 465 G HA3 0.109 4.071 3.960 0.003 0.000 0.293 465 G C -1.429 173.408 174.900 -0.105 0.000 1.301 465 G CA -0.890 44.075 45.100 -0.225 0.000 0.913 465 G HN 0.013 nan 8.290 nan 0.000 0.540 466 Y N 1.428 121.618 120.300 -0.184 0.000 2.570 466 Y HA 0.351 4.903 4.550 0.003 0.000 0.336 466 Y C 1.994 177.809 175.900 -0.142 0.000 1.284 466 Y CA -0.722 57.294 58.100 -0.140 0.000 1.761 466 Y CB -0.097 38.297 38.460 -0.110 0.000 1.724 466 Y HN 0.299 nan 8.280 nan 0.000 0.455 467 V N 2.145 122.073 119.914 0.024 0.000 2.358 467 V HA -0.312 3.810 4.120 0.003 0.000 0.246 467 V C 2.323 178.415 176.094 -0.003 0.000 1.047 467 V CA 1.743 64.032 62.300 -0.017 0.000 1.035 467 V CB -0.464 31.347 31.823 -0.020 0.000 0.658 467 V HN 0.738 nan 8.190 nan 0.000 0.452 468 I N -0.242 120.330 120.570 0.005 0.000 2.502 468 I HA -0.280 3.892 4.170 0.003 0.000 0.258 468 I C 2.264 178.406 176.117 0.042 0.000 1.172 468 I CA 1.705 63.014 61.300 0.016 0.000 1.430 468 I CB 0.169 38.172 38.000 0.004 0.000 1.086 468 I HN 0.330 nan 8.210 nan 0.000 0.440 469 E N 0.438 120.668 120.200 0.050 0.000 2.201 469 E HA 0.061 4.413 4.350 0.003 0.000 0.193 469 E C 1.949 178.598 176.600 0.081 0.000 0.957 469 E CA 0.578 57.031 56.400 0.089 0.000 0.858 469 E CB -0.063 29.716 29.700 0.133 0.000 0.816 469 E HN 0.481 nan 8.360 nan 0.000 0.475 470 I N 0.604 121.182 120.570 0.014 0.000 2.264 470 I HA -0.280 3.892 4.170 0.003 0.000 0.248 470 I C 2.156 178.275 176.117 0.004 0.000 1.111 470 I CA 1.274 62.559 61.300 -0.026 0.000 1.382 470 I CB -0.233 37.711 38.000 -0.094 0.000 1.060 470 I HN 0.110 nan 8.210 nan 0.000 0.418 471 A N 0.024 122.845 122.820 0.001 0.000 2.014 471 A HA -0.075 4.247 4.320 0.003 0.000 0.218 471 A C 2.046 179.629 177.584 -0.002 0.000 1.163 471 A CA 1.418 53.449 52.037 -0.010 0.000 0.652 471 A CB -0.265 18.716 19.000 -0.031 0.000 0.808 471 A HN 0.316 nan 8.150 nan 0.000 0.449 472 I N -2.648 117.939 120.570 0.028 0.000 3.194 472 I HA 0.172 4.344 4.170 0.003 0.000 0.271 472 I C 0.558 176.740 176.117 0.109 0.000 1.150 472 I CA 0.650 61.976 61.300 0.043 0.000 1.440 472 I CB -0.091 37.932 38.000 0.039 0.000 1.276 472 I HN 0.456 nan 8.210 nan 0.000 0.457 473 H N -0.016 119.076 119.070 0.036 0.000 3.059 473 H HA 0.306 4.864 4.556 0.003 0.000 0.302 473 H C -1.285 174.116 175.328 0.122 0.000 1.264 473 H CA -0.591 55.501 56.048 0.073 0.000 1.615 473 H CB 0.345 30.156 29.762 0.081 0.000 1.795 473 H HN -0.080 nan 8.280 nan 0.000 0.556 474 D N 2.459 122.827 120.400 -0.053 0.000 2.255 474 D HA 0.591 5.233 4.640 0.003 0.000 0.249 474 D C 0.217 176.441 176.300 -0.128 0.000 1.078 474 D CA 0.630 54.615 54.000 -0.025 0.000 0.896 474 D CB 1.329 42.122 40.800 -0.011 0.000 1.194 474 D HN 0.754 nan 8.370 nan 0.000 0.429 475 G N 1.848 110.451 108.800 -0.328 0.000 2.576 475 G HA2 0.292 4.254 3.960 0.003 0.000 0.290 475 G HA3 0.292 4.254 3.960 0.003 0.000 0.290 475 G C -2.313 172.161 174.900 -0.710 0.000 1.442 475 G CA -0.919 43.739 45.100 -0.737 0.000 0.792 475 G HN 0.262 nan 8.290 nan 0.000 0.491 476 P HA -0.133 nan 4.420 nan 0.000 0.222 476 P C 1.090 178.375 177.300 -0.024 0.000 1.142 476 P CA 1.228 64.262 63.100 -0.111 0.000 0.788 476 P CB -0.168 31.489 31.700 -0.072 0.000 0.767 477 Y N -1.435 118.952 120.300 0.145 0.000 2.616 477 Y HA 0.139 4.691 4.550 0.003 0.000 0.296 477 Y C 1.599 177.526 175.900 0.047 0.000 1.154 477 Y CA -0.048 58.115 58.100 0.105 0.000 1.325 477 Y CB -1.963 36.567 38.460 0.117 0.000 1.007 477 Y HN -0.106 nan 8.280 nan 0.000 0.542 478 N N -0.483 118.205 118.700 -0.020 0.000 2.336 478 N HA 0.004 4.746 4.740 0.003 0.000 0.189 478 N C -1.105 173.949 175.510 -0.760 0.000 1.113 478 N CA 0.231 53.105 53.050 -0.293 0.000 0.858 478 N CB -0.080 38.163 38.487 -0.406 0.000 0.970 478 N HN 0.391 nan 8.380 nan 0.000 0.471 479 Y N 0.912 121.072 120.300 -0.234 0.000 2.328 479 Y HA 0.451 5.003 4.550 0.003 0.000 0.337 479 Y C 0.620 176.387 175.900 -0.221 0.000 0.966 479 Y CA -1.155 56.814 58.100 -0.218 0.000 1.136 479 Y CB 0.931 39.310 38.460 -0.134 0.000 1.170 479 Y HN -0.131 nan 8.280 nan 0.000 0.470 480 I N -0.490 119.999 120.570 -0.135 0.000 2.863 480 I HA 0.674 4.846 4.170 0.003 0.000 0.311 480 I C -0.514 175.593 176.117 -0.016 0.000 1.026 480 I CA -1.685 59.543 61.300 -0.120 0.000 1.077 480 I CB 1.609 39.465 38.000 -0.240 0.000 1.262 480 I HN 0.255 nan 8.210 nan 0.000 0.461 481 K N 3.141 123.560 120.400 0.031 0.000 2.412 481 K HA 0.093 4.415 4.320 0.003 0.000 0.284 481 K C -0.261 176.391 176.600 0.086 0.000 1.046 481 K CA 0.283 56.629 56.287 0.098 0.000 0.999 481 K CB 0.058 32.669 32.500 0.185 0.000 0.941 481 K HN 0.691 nan 8.250 nan 0.000 0.474 482 N N 3.480 122.238 118.700 0.096 0.000 2.479 482 N HA 0.131 4.873 4.740 0.003 0.000 0.257 482 N C -1.172 174.442 175.510 0.174 0.000 1.232 482 N CA 0.044 53.150 53.050 0.093 0.000 0.920 482 N CB 0.345 38.890 38.487 0.097 0.000 1.105 482 N HN 0.347 nan 8.380 nan 0.000 0.444 483 W N 0.347 121.391 121.300 -0.426 0.000 2.736 483 W HA 0.259 4.920 4.660 0.003 0.000 0.355 483 W C -0.225 175.926 176.519 -0.613 0.000 1.102 483 W CA -0.830 56.140 57.345 -0.624 0.000 1.164 483 W CB 0.248 29.146 29.460 -0.937 0.000 1.422 483 W HN 0.425 nan 8.180 nan 0.000 0.572 484 D N 0.852 121.166 120.400 -0.144 0.000 2.517 484 D HA 0.064 4.706 4.640 0.003 0.000 0.220 484 D C 0.663 176.925 176.300 -0.062 0.000 1.158 484 D CA -0.026 53.923 54.000 -0.085 0.000 0.992 484 D CB -0.185 40.579 40.800 -0.061 0.000 1.058 484 D HN 0.179 nan 8.370 nan 0.000 0.516 485 Y N 1.993 122.368 120.300 0.126 0.000 2.181 485 Y HA -0.142 4.410 4.550 0.003 0.000 0.288 485 Y C 2.495 178.400 175.900 0.007 0.000 1.146 485 Y CA 1.207 59.360 58.100 0.088 0.000 1.164 485 Y CB -0.492 37.931 38.460 -0.062 0.000 0.982 485 Y HN 0.473 nan 8.280 nan 0.000 0.515 486 A N 0.340 123.237 122.820 0.130 0.000 1.902 486 A HA -0.128 4.194 4.320 0.003 0.000 0.217 486 A C 2.554 180.148 177.584 0.017 0.000 1.181 486 A CA 1.759 53.828 52.037 0.053 0.000 0.623 486 A CB -1.510 17.511 19.000 0.034 0.000 0.818 486 A HN 0.473 nan 8.150 nan 0.000 0.443 487 G N -0.727 108.070 108.800 -0.006 0.000 2.509 487 G HA2 -0.049 3.913 3.960 0.003 0.000 0.218 487 G HA3 -0.049 3.913 3.960 0.003 0.000 0.218 487 G C 1.329 176.167 174.900 -0.104 0.000 1.124 487 G CA 0.983 46.052 45.100 -0.051 0.000 0.776 487 G HN 0.455 nan 8.290 nan 0.000 0.547 488 L N 0.115 121.276 121.223 -0.103 0.000 2.275 488 L HA 0.141 4.482 4.340 0.003 0.000 0.215 488 L C 2.562 179.226 176.870 -0.343 0.000 1.119 488 L CA 1.102 55.787 54.840 -0.258 0.000 0.790 488 L CB -0.231 41.762 42.059 -0.111 0.000 0.919 488 L HN 0.077 nan 8.230 nan 0.000 0.443 489 M N -0.979 118.562 119.600 -0.098 0.000 2.086 489 M HA -0.150 4.332 4.480 0.003 0.000 0.261 489 M C 2.108 178.394 176.300 -0.024 0.000 1.067 489 M CA 1.366 56.670 55.300 0.006 0.000 1.116 489 M CB -1.023 31.615 32.600 0.063 0.000 1.348 489 M HN 0.218 nan 8.290 nan 0.000 0.407 490 E N 0.092 120.258 120.200 -0.057 0.000 2.160 490 E HA -0.120 4.232 4.350 0.003 0.000 0.195 490 E C 2.252 178.804 176.600 -0.080 0.000 0.991 490 E CA 0.932 57.300 56.400 -0.053 0.000 0.810 490 E CB -0.493 29.175 29.700 -0.054 0.000 0.742 490 E HN 0.300 nan 8.360 nan 0.000 0.466 491 V N 0.764 120.572 119.914 -0.177 0.000 2.295 491 V HA -0.245 3.877 4.120 0.003 0.000 0.246 491 V C 2.076 178.121 176.094 -0.082 0.000 1.049 491 V CA 1.687 63.861 62.300 -0.210 0.000 1.024 491 V CB -0.573 31.021 31.823 -0.381 0.000 0.648 491 V HN 0.135 nan 8.190 nan 0.000 0.447 492 F N 0.534 120.480 119.950 -0.007 0.000 2.325 492 F HA -0.024 4.505 4.527 0.003 0.000 0.299 492 F C 2.265 178.052 175.800 -0.023 0.000 1.090 492 F CA 0.522 58.516 58.000 -0.010 0.000 1.392 492 F CB -1.178 37.828 39.000 0.011 0.000 1.053 492 F HN 0.206 nan 8.300 nan 0.000 0.521 493 N N 0.735 119.512 118.700 0.128 0.000 2.106 493 N HA -0.089 4.653 4.740 0.003 0.000 0.188 493 N C 1.468 176.983 175.510 0.008 0.000 1.029 493 N CA 1.446 54.521 53.050 0.041 0.000 0.848 493 N CB -0.675 37.811 38.487 -0.002 0.000 1.007 493 N HN 0.107 nan 8.380 nan 0.000 0.423 494 A N -0.570 122.252 122.820 0.003 0.000 2.748 494 A HA -0.095 4.227 4.320 0.003 0.000 0.297 494 A C 1.346 178.914 177.584 -0.026 0.000 1.508 494 A CA 1.842 53.873 52.037 -0.010 0.000 0.799 494 A CB -1.950 17.053 19.000 0.005 0.000 1.011 494 A HN 0.914 nan 8.150 nan 0.000 0.500 495 G N -2.309 106.467 108.800 -0.040 0.000 2.184 495 G HA2 -0.347 3.615 3.960 0.003 0.000 0.264 495 G HA3 -0.347 3.615 3.960 0.003 0.000 0.264 495 G C 0.576 175.432 174.900 -0.074 0.000 0.975 495 G CA 1.457 46.527 45.100 -0.051 0.000 0.642 495 G HN 0.885 nan 8.290 nan 0.000 0.536 496 E N -0.070 120.081 120.200 -0.081 0.000 2.110 496 E HA 0.311 4.663 4.350 0.003 0.000 0.194 496 E C 1.996 178.474 176.600 -0.203 0.000 0.944 496 E CA 0.169 56.508 56.400 -0.102 0.000 0.899 496 E CB -0.024 29.642 29.700 -0.057 0.000 0.907 496 E HN 0.431 nan 8.360 nan 0.000 0.473 497 G N -0.256 108.452 108.800 -0.153 0.000 2.653 497 G HA2 0.011 3.973 3.960 0.003 0.000 0.265 497 G HA3 0.011 3.973 3.960 0.003 0.000 0.265 497 G C -0.515 174.193 174.900 -0.320 0.000 1.237 497 G CA -0.158 44.846 45.100 -0.161 0.000 0.946 497 G HN 0.306 nan 8.290 nan 0.000 0.522 498 H N -1.194 117.901 119.070 0.042 0.000 2.467 498 H HA 0.363 4.921 4.556 0.003 0.000 0.275 498 H C 1.263 176.620 175.328 0.049 0.000 1.131 498 H CA 0.064 56.136 56.048 0.040 0.000 0.989 498 H CB 0.466 30.250 29.762 0.036 0.000 1.696 498 H HN 0.599 nan 8.280 nan 0.000 0.574 499 G N 0.604 109.475 108.800 0.118 0.000 2.483 499 G HA2 0.378 4.340 3.960 0.003 0.000 0.248 499 G HA3 0.378 4.340 3.960 0.003 0.000 0.248 499 G C -0.550 174.400 174.900 0.083 0.000 1.248 499 G CA -0.427 44.740 45.100 0.112 0.000 0.838 499 G HN 0.263 nan 8.290 nan 0.000 0.566 500 L N 1.067 122.332 121.223 0.071 0.000 2.365 500 L HA 0.667 5.009 4.340 0.003 0.000 0.273 500 L C 0.446 177.335 176.870 0.031 0.000 1.000 500 L CA -0.877 53.990 54.840 0.044 0.000 0.819 500 L CB 2.283 44.361 42.059 0.033 0.000 1.284 500 L HN 0.661 nan 8.230 nan 0.000 0.418 501 G N 4.686 113.499 108.800 0.021 0.000 2.557 501 G HA2 0.682 4.644 3.960 0.003 0.000 0.310 501 G HA3 0.682 4.644 3.960 0.003 0.000 0.310 501 G C -1.271 173.630 174.900 0.002 0.000 1.328 501 G CA -0.304 44.803 45.100 0.012 0.000 0.945 501 G HN 0.381 nan 8.290 nan 0.000 0.494 502 L N 1.391 122.607 121.223 -0.011 0.000 2.388 502 L HA 0.562 4.904 4.340 0.003 0.000 0.264 502 L C -0.051 176.815 176.870 -0.007 0.000 0.998 502 L CA -1.011 53.824 54.840 -0.009 0.000 0.817 502 L CB 2.880 44.929 42.059 -0.017 0.000 1.338 502 L HN 0.294 nan 8.230 nan 0.000 0.414 503 K N 1.566 121.968 120.400 0.004 0.000 2.185 503 K HA 0.747 5.069 4.320 0.003 0.000 0.269 503 K C -0.758 175.845 176.600 0.006 0.000 0.987 503 K CA -0.516 55.777 56.287 0.010 0.000 0.865 503 K CB 2.012 34.523 32.500 0.018 0.000 1.090 503 K HN 0.663 nan 8.250 nan 0.000 0.450 504 A N 2.088 124.911 122.820 0.006 0.000 2.304 504 A HA 0.359 4.681 4.320 0.003 0.000 0.314 504 A C 0.293 177.875 177.584 -0.002 0.000 1.187 504 A CA -0.400 51.638 52.037 0.001 0.000 0.810 504 A CB 1.356 20.359 19.000 0.006 0.000 1.183 504 A HN 0.715 nan 8.150 nan 0.000 0.487 505 T N 0.706 115.257 114.554 -0.005 0.000 2.958 505 T HA 0.243 4.595 4.350 0.003 0.000 0.256 505 T C 0.614 175.309 174.700 -0.008 0.000 0.983 505 T CA 1.304 63.402 62.100 -0.002 0.000 0.924 505 T CB 0.047 68.918 68.868 0.005 0.000 1.136 505 T HN 1.028 nan 8.240 nan 0.000 0.506 506 T N -1.291 113.255 114.554 -0.015 0.000 2.883 506 T HA 0.517 4.869 4.350 0.003 0.000 0.296 506 T C -2.561 172.115 174.700 -0.041 0.000 1.117 506 T CA -1.587 60.503 62.100 -0.016 0.000 1.006 506 T CB 1.716 70.584 68.868 -0.000 0.000 1.191 506 T HN -0.358 nan 8.240 nan 0.000 0.508 507 P HA -0.044 nan 4.420 nan 0.000 0.218 507 P C 1.470 178.776 177.300 0.010 0.000 1.148 507 P CA 0.880 63.937 63.100 -0.072 0.000 0.822 507 P CB 0.158 31.885 31.700 0.044 0.000 0.784 508 K N 0.336 120.760 120.400 0.040 0.000 2.057 508 K HA -0.196 4.126 4.320 0.003 0.000 0.207 508 K C 2.066 178.691 176.600 0.042 0.000 1.049 508 K CA 1.468 57.790 56.287 0.059 0.000 0.931 508 K CB -0.249 32.277 32.500 0.043 0.000 0.714 508 K HN 0.071 nan 8.250 nan 0.000 0.440 509 E N 0.299 120.507 120.200 0.015 0.000 2.204 509 E HA -0.164 4.188 4.350 0.003 0.000 0.194 509 E C 1.936 178.541 176.600 0.009 0.000 0.989 509 E CA 0.469 56.877 56.400 0.012 0.000 0.824 509 E CB 0.094 29.796 29.700 0.004 0.000 0.756 509 E HN 0.163 nan 8.360 nan 0.000 0.477 510 L N 0.087 121.295 121.223 -0.026 0.000 2.131 510 L HA -0.068 4.274 4.340 0.003 0.000 0.206 510 L C 2.334 179.241 176.870 0.062 0.000 1.087 510 L CA 1.718 56.538 54.840 -0.034 0.000 0.767 510 L CB -0.673 41.256 42.059 -0.216 0.000 0.917 510 L HN 0.005 nan 8.230 nan 0.000 0.441 511 T N -0.869 113.755 114.554 0.117 0.000 2.746 511 T HA -0.193 4.159 4.350 0.003 0.000 0.267 511 T C 1.732 176.511 174.700 0.132 0.000 1.039 511 T CA 1.838 64.076 62.100 0.229 0.000 1.142 511 T CB -0.063 68.959 68.868 0.257 0.000 0.866 511 T HN 0.470 nan 8.240 nan 0.000 0.444 512 E N 0.328 120.580 120.200 0.086 0.000 2.072 512 E HA 0.005 4.357 4.350 0.003 0.000 0.191 512 E C 2.429 179.060 176.600 0.053 0.000 0.985 512 E CA 0.972 57.408 56.400 0.060 0.000 0.801 512 E CB -0.196 29.529 29.700 0.043 0.000 0.750 512 E HN 0.508 nan 8.360 nan 0.000 0.452 513 A N 0.777 123.627 122.820 0.050 0.000 1.930 513 A HA -0.155 4.167 4.320 0.003 0.000 0.217 513 A C 2.125 179.728 177.584 0.032 0.000 1.175 513 A CA 1.014 53.068 52.037 0.028 0.000 0.627 513 A CB -0.481 18.527 19.000 0.013 0.000 0.815 513 A HN 0.157 nan 8.150 nan 0.000 0.443 514 I N -0.391 120.231 120.570 0.086 0.000 2.353 514 I HA -0.220 3.952 4.170 0.003 0.000 0.248 514 I C 2.934 179.099 176.117 0.079 0.000 1.119 514 I CA 0.833 62.200 61.300 0.112 0.000 1.417 514 I CB -0.286 37.849 38.000 0.224 0.000 1.078 514 I HN 0.347 nan 8.210 nan 0.000 0.421 515 A N 1.000 123.864 122.820 0.073 0.000 1.883 515 A HA -0.202 4.120 4.320 0.003 0.000 0.217 515 A C 2.408 180.015 177.584 0.039 0.000 1.186 515 A CA 1.430 53.499 52.037 0.054 0.000 0.624 515 A CB -0.485 18.545 19.000 0.050 0.000 0.822 515 A HN 0.261 nan 8.150 nan 0.000 0.444 516 R N -0.545 119.975 120.500 0.032 0.000 2.081 516 R HA -0.089 4.253 4.340 0.003 0.000 0.235 516 R C 2.467 178.778 176.300 0.019 0.000 1.131 516 R CA 1.333 57.447 56.100 0.023 0.000 0.960 516 R CB -0.851 29.460 30.300 0.018 0.000 0.856 516 R HN 0.541 nan 8.270 nan 0.000 0.436 517 A N 1.738 124.564 122.820 0.010 0.000 1.877 517 A HA -0.179 4.143 4.320 0.003 0.000 0.216 517 A C 2.065 179.661 177.584 0.019 0.000 1.186 517 A CA 1.456 53.492 52.037 -0.002 0.000 0.620 517 A CB -0.303 18.671 19.000 -0.042 0.000 0.822 517 A HN 0.233 nan 8.150 nan 0.000 0.443 518 K N -0.292 120.127 120.400 0.032 0.000 2.147 518 K HA -0.037 4.285 4.320 0.003 0.000 0.205 518 K C 2.014 178.631 176.600 0.029 0.000 1.049 518 K CA 1.072 57.382 56.287 0.037 0.000 0.936 518 K CB -0.262 32.263 32.500 0.043 0.000 0.722 518 K HN 0.448 nan 8.250 nan 0.000 0.446 519 A N 1.251 124.087 122.820 0.026 0.000 2.119 519 A HA -0.055 4.267 4.320 0.003 0.000 0.216 519 A C 0.800 178.396 177.584 0.019 0.000 1.152 519 A CA 0.383 52.432 52.037 0.021 0.000 0.708 519 A CB -0.221 18.792 19.000 0.021 0.000 0.805 519 A HN 0.172 nan 8.150 nan 0.000 0.460 520 N N 0.848 119.562 118.700 0.024 0.000 2.555 520 N HA 0.140 4.882 4.740 0.003 0.000 0.244 520 N C 0.992 176.518 175.510 0.027 0.000 1.114 520 N CA 0.725 53.793 53.050 0.029 0.000 0.963 520 N CB 0.538 39.049 38.487 0.040 0.000 1.276 520 N HN 0.264 nan 8.380 nan 0.000 0.510 521 T N -0.115 114.444 114.554 0.009 0.000 3.065 521 T HA 0.152 4.504 4.350 0.003 0.000 0.252 521 T C 1.122 175.825 174.700 0.005 0.000 1.099 521 T CA 0.458 62.562 62.100 0.008 0.000 1.063 521 T CB 0.102 68.967 68.868 -0.005 0.000 0.948 521 T HN 0.350 nan 8.240 nan 0.000 0.506 522 R N 0.481 120.975 120.500 -0.009 0.000 2.577 522 R HA 0.524 4.866 4.340 0.003 0.000 0.344 522 R C 0.442 176.800 176.300 0.097 0.000 1.037 522 R CA -0.232 55.864 56.100 -0.008 0.000 1.102 522 R CB 1.262 31.449 30.300 -0.189 0.000 1.313 522 R HN 0.472 nan 8.270 nan 0.000 0.561 523 G N 1.090 109.955 108.800 0.108 0.000 2.523 523 G HA2 0.259 4.221 3.960 0.003 0.000 0.291 523 G HA3 0.259 4.221 3.960 0.003 0.000 0.291 523 G C -3.197 171.767 174.900 0.108 0.000 1.450 523 G CA -0.956 44.224 45.100 0.134 0.000 0.790 523 G HN -0.270 nan 8.290 nan 0.000 0.496 524 P HA 0.356 nan 4.420 nan 0.000 0.274 524 P C -0.516 176.827 177.300 0.073 0.000 1.231 524 P CA 0.092 63.250 63.100 0.097 0.000 0.790 524 P CB 1.214 32.986 31.700 0.120 0.000 0.951 525 T N 2.618 117.190 114.554 0.031 0.000 2.815 525 T HA 0.398 4.750 4.350 0.003 0.000 0.289 525 T C -0.153 174.507 174.700 -0.066 0.000 1.000 525 T CA -0.430 61.662 62.100 -0.013 0.000 0.958 525 T CB 0.514 69.356 68.868 -0.043 0.000 0.944 525 T HN 0.285 nan 8.240 nan 0.000 0.442 526 L N 4.963 126.162 121.223 -0.040 0.000 2.264 526 L HA 0.608 4.950 4.340 0.003 0.000 0.289 526 L C -0.946 175.849 176.870 -0.126 0.000 1.044 526 L CA -0.735 54.053 54.840 -0.086 0.000 0.807 526 L CB 0.330 42.375 42.059 -0.023 0.000 1.192 526 L HN 0.639 nan 8.230 nan 0.000 0.425 527 I N 5.125 125.566 120.570 -0.215 0.000 2.330 527 I HA 0.220 4.392 4.170 0.003 0.000 0.286 527 I C 0.099 176.153 176.117 -0.105 0.000 1.025 527 I CA -0.295 60.904 61.300 -0.168 0.000 1.197 527 I CB 1.374 39.222 38.000 -0.253 0.000 1.358 527 I HN 0.601 nan 8.210 nan 0.000 0.467 528 E N 6.382 126.545 120.200 -0.061 0.000 2.029 528 E HA 0.164 4.516 4.350 0.003 0.000 0.276 528 E C -1.022 175.569 176.600 -0.015 0.000 1.163 528 E CA -0.517 55.855 56.400 -0.048 0.000 0.909 528 E CB 0.475 30.193 29.700 0.030 0.000 1.046 528 E HN 0.625 nan 8.360 nan 0.000 0.406 529 C N 5.021 124.314 119.300 -0.013 0.000 2.373 529 C HA 0.220 4.682 4.460 0.003 0.000 0.354 529 C C 0.290 175.274 174.990 -0.009 0.000 1.249 529 C CA -0.673 58.352 59.018 0.010 0.000 1.784 529 C CB -0.061 27.707 27.740 0.047 0.000 2.408 529 C HN 0.685 nan 8.230 nan 0.000 0.542 530 Q N 3.160 122.960 119.800 0.001 0.000 2.322 530 Q HA 0.661 5.003 4.340 0.003 0.000 0.256 530 Q C -0.188 175.811 176.000 -0.001 0.000 0.960 530 Q CA 0.147 55.953 55.803 0.005 0.000 0.934 530 Q CB 0.909 29.659 28.738 0.019 0.000 1.200 530 Q HN 0.835 nan 8.270 nan 0.000 0.435 531 I N -1.970 118.598 120.570 -0.004 0.000 3.002 531 I HA 0.583 4.755 4.170 0.003 0.000 0.310 531 I C -0.594 175.524 176.117 0.001 0.000 1.087 531 I CA -1.359 59.939 61.300 -0.004 0.000 1.017 531 I CB 2.013 40.008 38.000 -0.009 0.000 1.226 531 I HN 0.267 nan 8.210 nan 0.000 0.443 532 D N 1.652 122.053 120.400 0.002 0.000 2.372 532 D HA 0.121 4.763 4.640 0.003 0.000 0.243 532 D C 1.251 177.555 176.300 0.005 0.000 1.121 532 D CA -0.073 53.931 54.000 0.006 0.000 0.898 532 D CB 1.299 42.102 40.800 0.005 0.000 1.202 532 D HN 0.670 nan 8.370 nan 0.000 0.428 533 R N 1.594 122.102 120.500 0.014 0.000 2.200 533 R HA -0.138 4.204 4.340 0.003 0.000 0.234 533 R C 1.355 177.660 176.300 0.007 0.000 1.127 533 R CA 1.558 57.667 56.100 0.016 0.000 0.989 533 R CB -0.183 30.143 30.300 0.043 0.000 0.869 533 R HN 0.433 nan 8.270 nan 0.000 0.459 534 T N -0.291 114.267 114.554 0.006 0.000 3.088 534 T HA -0.055 4.297 4.350 0.003 0.000 0.259 534 T C -0.125 174.569 174.700 -0.010 0.000 1.122 534 T CA 0.646 62.745 62.100 -0.001 0.000 1.095 534 T CB -0.047 68.822 68.868 0.000 0.000 0.930 534 T HN 0.212 nan 8.240 nan 0.000 0.508 535 D N 1.929 122.324 120.400 -0.009 0.000 2.767 535 D HA 0.185 4.827 4.640 0.003 0.000 0.241 535 D C 0.190 176.479 176.300 -0.017 0.000 1.187 535 D CA -0.544 53.449 54.000 -0.012 0.000 0.999 535 D CB -0.829 39.967 40.800 -0.007 0.000 1.042 535 D HN 0.421 nan 8.370 nan 0.000 0.510 536 C N -0.111 119.172 119.300 -0.028 0.000 2.423 536 C HA 0.874 5.336 4.460 0.003 0.000 0.378 536 C C 0.887 175.845 174.990 -0.054 0.000 1.244 536 C CA -0.768 58.227 59.018 -0.039 0.000 1.978 536 C CB 0.524 28.230 27.740 -0.056 0.000 2.252 536 C HN 0.467 nan 8.230 nan 0.000 0.526 537 T N -0.677 113.835 114.554 -0.071 0.000 2.930 537 T HA 0.157 4.509 4.350 0.003 0.000 0.306 537 T C 0.556 175.176 174.700 -0.133 0.000 1.045 537 T CA 0.177 62.229 62.100 -0.080 0.000 1.134 537 T CB 0.425 69.261 68.868 -0.054 0.000 0.961 537 T HN 0.704 nan 8.240 nan 0.000 0.545 538 D N 1.397 121.741 120.400 -0.093 0.000 2.182 538 D HA -0.123 4.519 4.640 0.003 0.000 0.201 538 D C 1.858 178.067 176.300 -0.152 0.000 0.986 538 D CA 1.083 55.023 54.000 -0.099 0.000 0.847 538 D CB -0.246 40.520 40.800 -0.058 0.000 0.942 538 D HN 0.666 nan 8.370 nan 0.000 0.467 539 M N 0.163 119.665 119.600 -0.164 0.000 2.082 539 M HA -0.187 4.295 4.480 0.003 0.000 0.258 539 M C 2.187 178.169 176.300 -0.530 0.000 1.069 539 M CA 1.220 56.392 55.300 -0.213 0.000 1.102 539 M CB -0.049 32.526 32.600 -0.041 0.000 1.336 539 M HN 0.064 nan 8.290 nan 0.000 0.404 540 L N -0.290 120.409 121.223 -0.874 0.000 2.017 540 L HA -0.196 4.146 4.340 0.003 0.000 0.208 540 L C 2.061 178.691 176.870 -0.400 0.000 1.073 540 L CA 1.255 55.412 54.840 -1.139 0.000 0.745 540 L CB -0.282 41.251 42.059 -0.876 0.000 0.894 540 L HN 0.132 nan 8.230 nan 0.000 0.432 541 V N -0.142 119.615 119.914 -0.262 0.000 2.261 541 V HA -0.332 3.790 4.120 0.003 0.000 0.246 541 V C 2.527 178.548 176.094 -0.122 0.000 1.047 541 V CA 2.170 64.384 62.300 -0.144 0.000 1.015 541 V CB -0.740 31.017 31.823 -0.110 0.000 0.642 541 V HN 0.542 nan 8.190 nan 0.000 0.446 542 Q N -1.484 118.240 119.800 -0.126 0.000 2.002 542 Q HA -0.305 4.037 4.340 0.003 0.000 0.204 542 Q C 2.093 178.029 176.000 -0.107 0.000 0.988 542 Q CA 2.616 58.357 55.803 -0.104 0.000 0.843 542 Q CB -0.326 28.356 28.738 -0.094 0.000 0.908 542 Q HN 0.803 nan 8.270 nan 0.000 0.420 543 W N 0.602 121.706 121.300 -0.327 0.000 2.335 543 W HA -0.182 4.480 4.660 0.003 0.000 0.311 543 W C 2.051 178.422 176.519 -0.247 0.000 1.213 543 W CA 2.085 59.220 57.345 -0.350 0.000 1.274 543 W CB -0.803 28.390 29.460 -0.445 0.000 1.148 543 W HN 0.156 nan 8.180 nan 0.000 0.498 544 G N 0.362 109.089 108.800 -0.122 0.000 2.446 544 G HA2 -0.298 3.664 3.960 0.003 0.000 0.217 544 G HA3 -0.298 3.664 3.960 0.003 0.000 0.217 544 G C 1.578 176.291 174.900 -0.312 0.000 1.168 544 G CA 1.208 46.133 45.100 -0.291 0.000 0.771 544 G HN 0.296 nan 8.290 nan 0.000 0.551 545 R N -0.140 120.242 120.500 -0.197 0.000 2.103 545 R HA -0.062 4.280 4.340 0.003 0.000 0.242 545 R C 2.589 178.779 176.300 -0.184 0.000 1.142 545 R CA 1.342 57.353 56.100 -0.150 0.000 0.960 545 R CB -0.187 30.051 30.300 -0.103 0.000 0.858 545 R HN 0.129 nan 8.270 nan 0.000 0.439 546 K N 0.588 120.841 120.400 -0.245 0.000 2.062 546 K HA -0.053 4.269 4.320 0.003 0.000 0.205 546 K C 2.040 178.468 176.600 -0.287 0.000 1.051 546 K CA 0.990 57.139 56.287 -0.230 0.000 0.941 546 K CB -0.206 32.155 32.500 -0.231 0.000 0.719 546 K HN 0.028 nan 8.250 nan 0.000 0.440 547 V N 1.384 121.004 119.914 -0.491 0.000 2.295 547 V HA -0.235 3.887 4.120 0.003 0.000 0.246 547 V C 2.499 178.421 176.094 -0.287 0.000 1.049 547 V CA 1.988 63.986 62.300 -0.503 0.000 1.024 547 V CB -0.752 30.488 31.823 -0.971 0.000 0.648 547 V HN 0.335 nan 8.190 nan 0.000 0.447 548 A N 0.634 123.295 122.820 -0.265 0.000 1.902 548 A HA -0.219 4.103 4.320 0.003 0.000 0.217 548 A C 2.540 180.073 177.584 -0.085 0.000 1.181 548 A CA 2.363 54.317 52.037 -0.139 0.000 0.623 548 A CB -0.762 18.180 19.000 -0.097 0.000 0.818 548 A HN 0.694 nan 8.150 nan 0.000 0.443 549 S N -1.327 114.323 115.700 -0.084 0.000 2.428 549 S HA -0.102 4.370 4.470 0.003 0.000 0.230 549 S C 1.769 176.355 174.600 -0.025 0.000 1.014 549 S CA 1.759 59.934 58.200 -0.042 0.000 0.957 549 S CB -0.873 62.305 63.200 -0.038 0.000 0.784 549 S HN 0.462 nan 8.310 nan 0.000 0.499 550 T N 2.805 117.335 114.554 -0.039 0.000 2.812 550 T HA 0.057 4.409 4.350 0.003 0.000 0.264 550 T C 1.638 176.361 174.700 0.039 0.000 1.042 550 T CA 1.237 63.346 62.100 0.016 0.000 1.140 550 T CB -0.482 68.390 68.868 0.007 0.000 0.870 550 T HN 0.415 nan 8.240 nan 0.000 0.445 551 N N 1.576 120.276 118.700 -0.000 0.000 2.381 551 N HA 0.052 4.794 4.740 0.003 0.000 0.182 551 N C 1.527 177.036 175.510 -0.001 0.000 1.025 551 N CA 0.766 53.822 53.050 0.010 0.000 0.888 551 N CB -0.216 38.262 38.487 -0.015 0.000 0.965 551 N HN 0.421 nan 8.380 nan 0.000 0.438 552 A N 0.544 123.358 122.820 -0.010 0.000 2.308 552 A HA 0.039 4.361 4.320 0.003 0.000 0.217 552 A C 0.932 178.520 177.584 0.007 0.000 1.216 552 A CA -0.409 51.622 52.037 -0.010 0.000 0.864 552 A CB -0.143 18.847 19.000 -0.016 0.000 0.902 552 A HN 0.220 nan 8.150 nan 0.000 0.499 553 R N -0.002 120.510 120.500 0.020 0.000 2.583 553 R HA -0.011 4.331 4.340 0.003 0.000 0.274 553 R C 0.134 176.447 176.300 0.022 0.000 0.998 553 R CA 0.643 56.760 56.100 0.028 0.000 1.081 553 R CB 0.342 30.672 30.300 0.050 0.000 0.940 553 R HN 0.014 nan 8.270 nan 0.000 0.413 554 K N 1.457 121.868 120.400 0.018 0.000 2.323 554 K HA 0.136 4.458 4.320 0.003 0.000 0.197 554 K C -0.059 176.548 176.600 0.012 0.000 1.043 554 K CA 0.878 57.173 56.287 0.013 0.000 0.997 554 K CB 0.685 33.191 32.500 0.011 0.000 0.807 554 K HN 0.656 nan 8.250 nan 0.000 0.497 555 T N 0.000 114.563 114.554 0.015 0.000 3.816 555 T HA 0.000 4.352 4.350 0.003 0.000 0.228 555 T CA 0.000 62.106 62.100 0.011 0.000 1.349 555 T CB 0.000 68.873 68.868 0.009 0.000 0.612 555 T HN 0.000 nan 8.240 nan 0.000 0.658