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_C 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 0.000 174.773 174.700 0.122 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 5.080 125.394 120.300 0.023 0.000 2.341 3 Y HA 0.578 5.144 4.550 0.027 0.000 0.340 3 Y C 0.850 176.773 175.900 0.037 0.000 0.997 3 Y CA 0.103 58.222 58.100 0.032 0.000 1.149 3 Y CB 1.174 39.657 38.460 0.039 0.000 1.171 3 Y HN 0.801 nan 8.280 nan 0.000 0.494 4 T N 0.814 115.197 114.554 -0.284 0.000 2.948 4 T HA 0.298 4.665 4.350 0.027 0.000 0.285 4 T C 0.963 175.571 174.700 -0.153 0.000 1.019 4 T CA -0.657 61.354 62.100 -0.148 0.000 1.013 4 T CB 1.190 69.986 68.868 -0.119 0.000 1.117 4 T HN 0.402 nan 8.240 nan 0.000 0.533 5 V N 1.696 121.575 119.914 -0.058 0.000 2.332 5 V HA -0.065 4.071 4.120 0.027 0.000 0.248 5 V C 2.906 178.987 176.094 -0.021 0.000 1.055 5 V CA 2.542 64.822 62.300 -0.034 0.000 1.038 5 V CB -1.499 30.296 31.823 -0.046 0.000 0.651 5 V HN 1.113 nan 8.190 nan 0.000 0.450 6 G N -0.939 107.823 108.800 -0.063 0.000 2.432 6 G HA2 -0.243 3.733 3.960 0.027 0.000 0.219 6 G HA3 -0.243 3.733 3.960 0.027 0.000 0.219 6 G C 1.590 176.426 174.900 -0.106 0.000 1.135 6 G CA 0.975 46.035 45.100 -0.067 0.000 0.767 6 G HN 0.459 nan 8.290 nan 0.000 0.550 7 M N -1.008 118.461 119.600 -0.220 0.000 2.175 7 M HA 0.039 4.535 4.480 0.027 0.000 0.264 7 M C 2.329 178.510 176.300 -0.199 0.000 1.063 7 M CA 0.972 56.066 55.300 -0.343 0.000 1.119 7 M CB -0.309 31.828 32.600 -0.772 0.000 1.377 7 M HN 0.306 nan 8.290 nan 0.000 0.415 8 Y N 1.311 121.484 120.300 -0.210 0.000 2.145 8 Y HA -0.270 4.296 4.550 0.027 0.000 0.286 8 Y C 2.168 178.074 175.900 0.011 0.000 1.145 8 Y CA 1.672 59.812 58.100 0.068 0.000 1.148 8 Y CB -0.308 38.220 38.460 0.114 0.000 0.981 8 Y HN 0.100 nan 8.280 nan 0.000 0.507 9 L N 0.677 122.019 121.223 0.198 0.000 2.012 9 L HA -0.142 4.214 4.340 0.027 0.000 0.210 9 L C 2.439 179.280 176.870 -0.048 0.000 1.073 9 L CA 2.252 57.139 54.840 0.078 0.000 0.748 9 L CB -1.357 40.718 42.059 0.026 0.000 0.891 9 L HN 0.268 nan 8.230 nan 0.000 0.431 10 A N -0.868 121.902 122.820 -0.084 0.000 1.883 10 A HA -0.288 4.048 4.320 0.027 0.000 0.217 10 A C 2.344 179.872 177.584 -0.094 0.000 1.186 10 A CA 1.921 53.885 52.037 -0.122 0.000 0.624 10 A CB -0.809 18.120 19.000 -0.119 0.000 0.822 10 A HN 0.621 nan 8.150 nan 0.000 0.444 11 E N -0.941 119.213 120.200 -0.077 0.000 2.150 11 E HA -0.183 4.183 4.350 0.027 0.000 0.193 11 E C 2.241 178.769 176.600 -0.119 0.000 0.985 11 E CA 0.681 57.036 56.400 -0.075 0.000 0.814 11 E CB 0.016 29.698 29.700 -0.031 0.000 0.752 11 E HN 0.323 nan 8.360 nan 0.000 0.466 12 R N 0.202 120.603 120.500 -0.164 0.000 2.075 12 R HA -0.069 4.288 4.340 0.027 0.000 0.232 12 R C 2.458 178.713 176.300 -0.075 0.000 1.126 12 R CA 0.703 56.720 56.100 -0.139 0.000 0.963 12 R CB -0.683 29.537 30.300 -0.134 0.000 0.858 12 R HN 0.319 nan 8.270 nan 0.000 0.435 13 L N 0.241 121.422 121.223 -0.070 0.000 2.046 13 L HA -0.162 4.194 4.340 0.027 0.000 0.208 13 L C 2.454 179.303 176.870 -0.035 0.000 1.077 13 L CA 1.036 55.845 54.840 -0.052 0.000 0.747 13 L CB -0.595 41.412 42.059 -0.086 0.000 0.896 13 L HN -0.063 nan 8.230 nan 0.000 0.432 14 V N -0.500 119.385 119.914 -0.048 0.000 2.407 14 V HA -0.305 3.831 4.120 0.027 0.000 0.248 14 V C 2.418 178.496 176.094 -0.027 0.000 1.055 14 V CA 1.669 63.948 62.300 -0.034 0.000 1.049 14 V CB -0.514 31.285 31.823 -0.041 0.000 0.662 14 V HN 0.504 nan 8.190 nan 0.000 0.455 15 Q N -0.721 119.055 119.800 -0.039 0.000 2.224 15 Q HA -0.090 4.266 4.340 0.027 0.000 0.203 15 Q C 2.204 178.192 176.000 -0.020 0.000 0.970 15 Q CA 1.280 57.062 55.803 -0.035 0.000 0.865 15 Q CB -0.166 28.540 28.738 -0.054 0.000 0.922 15 Q HN 0.611 nan 8.270 nan 0.000 0.445 16 I N -0.650 119.912 120.570 -0.012 0.000 2.454 16 I HA -0.167 4.019 4.170 0.027 0.000 0.254 16 I C 1.347 177.475 176.117 0.018 0.000 1.156 16 I CA 1.144 62.446 61.300 0.005 0.000 1.433 16 I CB -0.146 37.864 38.000 0.017 0.000 1.082 16 I HN 0.432 nan 8.210 nan 0.000 0.432 17 G N 0.509 109.322 108.800 0.022 0.000 2.154 17 G HA2 -0.175 3.801 3.960 0.027 0.000 0.186 17 G HA3 -0.175 3.801 3.960 0.027 0.000 0.186 17 G C -0.084 174.864 174.900 0.080 0.000 1.000 17 G CA -0.655 44.465 45.100 0.034 0.000 0.664 17 G HN 0.075 nan 8.290 nan 0.000 0.513 18 L N 0.633 121.915 121.223 0.097 0.000 2.416 18 L HA 0.451 4.807 4.340 0.027 0.000 0.272 18 L C 1.482 178.410 176.870 0.098 0.000 1.161 18 L CA 0.511 55.452 54.840 0.167 0.000 0.845 18 L CB 0.933 43.053 42.059 0.101 0.000 1.119 18 L HN 0.084 nan 8.230 nan 0.000 0.464 19 K N 1.944 122.443 120.400 0.165 0.000 2.402 19 K HA 0.255 4.591 4.320 0.027 0.000 0.204 19 K C -0.471 175.825 176.600 -0.506 0.000 1.056 19 K CA -0.013 56.212 56.287 -0.103 0.000 1.069 19 K CB 0.608 33.069 32.500 -0.064 0.000 0.888 19 K HN 0.611 nan 8.250 nan 0.000 0.546 20 H N -0.125 118.843 119.070 -0.170 0.000 3.012 20 H HA 0.326 4.897 4.556 0.026 0.000 0.367 20 H C -0.548 174.421 175.328 -0.598 0.000 1.211 20 H CA -0.923 54.807 56.048 -0.529 0.000 1.139 20 H CB 1.334 30.610 29.762 -0.810 0.000 1.838 20 H HN 0.057 nan 8.280 nan 0.000 0.550 21 H N 0.443 119.169 119.070 -0.574 0.000 2.895 21 H HA 0.472 5.044 4.556 0.027 0.000 0.373 21 H C -1.586 173.373 175.328 -0.614 0.000 1.174 21 H CA -0.990 54.775 56.048 -0.472 0.000 1.144 21 H CB 1.149 30.786 29.762 -0.209 0.000 1.793 21 H HN 0.360 nan 8.280 nan 0.000 0.551 22 F N 0.671 120.539 119.950 -0.137 0.000 2.450 22 F HA 0.711 5.254 4.527 0.026 0.000 0.332 22 F C 0.287 176.095 175.800 0.014 0.000 1.093 22 F CA -0.410 57.518 58.000 -0.120 0.000 1.003 22 F CB 2.137 41.098 39.000 -0.066 0.000 1.151 22 F HN 0.871 nan 8.300 nan 0.000 0.474 23 A N 1.498 124.444 122.820 0.211 0.000 2.572 23 A HA 0.842 5.179 4.320 0.027 0.000 0.295 23 A C -1.895 175.873 177.584 0.306 0.000 1.072 23 A CA -0.738 51.457 52.037 0.264 0.000 0.691 23 A CB 1.586 20.764 19.000 0.297 0.000 1.291 23 A HN 0.496 nan 8.150 nan 0.000 0.404 24 V N 1.355 121.399 119.914 0.217 0.000 2.487 24 V HA 0.662 4.798 4.120 0.027 0.000 0.298 24 V C 0.689 176.857 176.094 0.123 0.000 1.028 24 V CA -0.339 62.058 62.300 0.163 0.000 0.860 24 V CB 1.319 33.211 31.823 0.115 0.000 0.991 24 V HN 1.449 nan 8.190 nan 0.000 0.427 25 A N 3.464 126.327 122.820 0.072 0.000 2.445 25 A HA 0.791 5.128 4.320 0.027 0.000 0.242 25 A C 0.583 178.207 177.584 0.067 0.000 1.075 25 A CA 0.596 52.663 52.037 0.049 0.000 0.777 25 A CB 0.405 19.388 19.000 -0.028 0.000 1.013 25 A HN 1.399 nan 8.150 nan 0.000 0.493 26 G N 0.386 109.241 108.800 0.092 0.000 2.698 26 G HA2 0.461 4.437 3.960 0.027 0.000 0.293 26 G HA3 0.461 4.437 3.960 0.027 0.000 0.293 26 G C 0.046 175.012 174.900 0.109 0.000 1.437 26 G CA 0.228 45.401 45.100 0.122 0.000 0.852 26 G HN 0.673 nan 8.290 nan 0.000 0.499 27 D N -0.335 120.104 120.400 0.065 0.000 2.182 27 D HA -0.213 4.444 4.640 0.027 0.000 0.201 27 D C 1.267 177.571 176.300 0.006 0.000 0.986 27 D CA 1.372 55.358 54.000 -0.023 0.000 0.847 27 D CB -0.210 40.510 40.800 -0.134 0.000 0.942 27 D HN 0.363 nan 8.370 nan 0.000 0.467 28 Y N 1.084 121.474 120.300 0.151 0.000 2.574 28 Y HA -0.024 4.542 4.550 0.027 0.000 0.294 28 Y C 1.531 177.470 175.900 0.065 0.000 1.142 28 Y CA 1.233 59.388 58.100 0.092 0.000 1.314 28 Y CB -0.429 38.095 38.460 0.107 0.000 0.991 28 Y HN 0.265 nan 8.280 nan 0.000 0.555 29 N N -1.628 117.195 118.700 0.205 0.000 2.143 29 N HA 0.035 4.791 4.740 0.027 0.000 0.222 29 N C 0.895 176.462 175.510 0.096 0.000 1.264 29 N CA 0.166 53.299 53.050 0.139 0.000 0.897 29 N CB -0.868 37.704 38.487 0.140 0.000 1.092 29 N HN 0.241 nan 8.380 nan 0.000 0.516 30 L N 0.028 121.298 121.223 0.078 0.000 2.012 30 L HA -0.080 4.277 4.340 0.027 0.000 0.210 30 L C 1.950 178.846 176.870 0.044 0.000 1.073 30 L CA 1.199 56.070 54.840 0.052 0.000 0.748 30 L CB -0.540 41.535 42.059 0.027 0.000 0.891 30 L HN 0.015 nan 8.230 nan 0.000 0.431 31 V N 0.032 119.969 119.914 0.038 0.000 2.343 31 V HA -0.286 3.850 4.120 0.027 0.000 0.247 31 V C 2.426 178.534 176.094 0.023 0.000 1.051 31 V CA 1.682 63.997 62.300 0.026 0.000 1.036 31 V CB -0.452 31.383 31.823 0.020 0.000 0.654 31 V HN 0.330 nan 8.190 nan 0.000 0.451 32 L N -0.150 121.092 121.223 0.031 0.000 2.012 32 L HA -0.165 4.192 4.340 0.027 0.000 0.210 32 L C 2.221 179.107 176.870 0.028 0.000 1.073 32 L CA 1.915 56.767 54.840 0.019 0.000 0.748 32 L CB -0.603 41.471 42.059 0.024 0.000 0.891 32 L HN 0.210 nan 8.230 nan 0.000 0.431 33 L N -0.591 120.670 121.223 0.064 0.000 2.042 33 L HA -0.252 4.105 4.340 0.027 0.000 0.210 33 L C 2.326 179.246 176.870 0.084 0.000 1.076 33 L CA 1.469 56.371 54.840 0.104 0.000 0.749 33 L CB -1.031 41.111 42.059 0.137 0.000 0.893 33 L HN 0.322 nan 8.230 nan 0.000 0.432 34 D N -0.440 119.992 120.400 0.053 0.000 2.104 34 D HA -0.188 4.469 4.640 0.027 0.000 0.194 34 D C 2.370 178.679 176.300 0.014 0.000 0.994 34 D CA 1.056 55.077 54.000 0.035 0.000 0.830 34 D CB -0.189 40.623 40.800 0.020 0.000 0.959 34 D HN 0.285 nan 8.370 nan 0.000 0.452 35 Q N 0.193 119.989 119.800 -0.006 0.000 2.084 35 Q HA -0.048 4.308 4.340 0.027 0.000 0.202 35 Q C 2.652 178.623 176.000 -0.048 0.000 0.978 35 Q CA 0.575 56.352 55.803 -0.043 0.000 0.844 35 Q CB -0.586 28.113 28.738 -0.065 0.000 0.898 35 Q HN 0.389 nan 8.270 nan 0.000 0.426 36 L N -0.101 121.103 121.223 -0.031 0.000 2.141 36 L HA -0.122 4.234 4.340 0.027 0.000 0.209 36 L C 2.283 179.171 176.870 0.028 0.000 1.094 36 L CA 0.542 55.353 54.840 -0.048 0.000 0.763 36 L CB -0.375 41.621 42.059 -0.105 0.000 0.908 36 L HN 0.148 nan 8.230 nan 0.000 0.437 37 L N -0.593 120.666 121.223 0.060 0.000 2.275 37 L HA -0.184 4.172 4.340 0.027 0.000 0.215 37 L C 2.243 179.129 176.870 0.026 0.000 1.119 37 L CA 0.792 55.670 54.840 0.063 0.000 0.790 37 L CB -0.240 41.862 42.059 0.072 0.000 0.919 37 L HN 0.287 nan 8.230 nan 0.000 0.443 38 L N -0.727 120.499 121.223 0.005 0.000 2.465 38 L HA -0.092 4.265 4.340 0.027 0.000 0.224 38 L C 1.041 177.907 176.870 -0.007 0.000 1.145 38 L CA 0.220 55.057 54.840 -0.005 0.000 0.834 38 L CB -0.397 41.649 42.059 -0.021 0.000 0.944 38 L HN 0.262 nan 8.230 nan 0.000 0.451 39 N N 0.949 119.643 118.700 -0.011 0.000 2.437 39 N HA 0.012 4.768 4.740 0.027 0.000 0.243 39 N C 0.556 176.057 175.510 -0.015 0.000 1.041 39 N CA -0.016 53.025 53.050 -0.014 0.000 0.940 39 N CB 0.969 39.438 38.487 -0.029 0.000 1.133 39 N HN -0.050 nan 8.380 nan 0.000 0.506 40 K N 1.697 122.088 120.400 -0.015 0.000 2.525 40 K HA 0.011 4.347 4.320 0.027 0.000 0.192 40 K C 0.201 176.776 176.600 -0.042 0.000 1.029 40 K CA 0.367 56.639 56.287 -0.024 0.000 1.029 40 K CB 0.359 32.850 32.500 -0.016 0.000 0.814 40 K HN 0.510 nan 8.250 nan 0.000 0.503 41 D N 0.740 121.115 120.400 -0.042 0.000 2.347 41 D HA 0.005 4.661 4.640 0.027 0.000 0.213 41 D C 0.954 177.201 176.300 -0.089 0.000 0.985 41 D CA 0.496 54.463 54.000 -0.054 0.000 0.879 41 D CB 0.198 40.974 40.800 -0.040 0.000 0.919 41 D HN 0.344 nan 8.370 nan 0.000 0.526 42 M N -1.864 117.678 119.600 -0.096 0.000 2.618 42 M HA 0.458 4.954 4.480 0.027 0.000 0.281 42 M C -1.363 174.823 176.300 -0.190 0.000 1.267 42 M CA -0.981 54.219 55.300 -0.166 0.000 0.845 42 M CB 2.862 35.404 32.600 -0.096 0.000 1.732 42 M HN -0.482 nan 8.290 nan 0.000 0.461 43 K N 1.638 121.823 120.400 -0.359 0.000 2.182 43 K HA 0.371 4.707 4.320 0.027 0.000 0.262 43 K C -1.259 175.014 176.600 -0.545 0.000 0.957 43 K CA -0.607 55.469 56.287 -0.351 0.000 0.842 43 K CB 2.379 34.682 32.500 -0.327 0.000 1.099 43 K HN 0.738 nan 8.250 nan 0.000 0.438 44 Q N 3.784 123.243 119.800 -0.570 0.000 2.331 44 Q HA 0.328 4.684 4.340 0.027 0.000 0.257 44 Q C -0.854 174.567 176.000 -0.964 0.000 0.957 44 Q CA -0.587 54.644 55.803 -0.952 0.000 0.923 44 Q CB 0.544 28.976 28.738 -0.510 0.000 1.212 44 Q HN 0.625 nan 8.270 nan 0.000 0.443 45 I N 0.879 120.832 120.570 -1.029 0.000 2.693 45 I HA 0.547 4.733 4.170 0.027 0.000 0.303 45 I C -1.613 174.120 176.117 -0.639 0.000 1.025 45 I CA -0.903 59.855 61.300 -0.903 0.000 1.086 45 I CB 1.367 38.831 38.000 -0.894 0.000 1.268 45 I HN 0.417 nan 8.210 nan 0.000 0.440 46 Y N 3.325 123.755 120.300 0.216 0.000 2.446 46 Y HA 0.719 5.285 4.550 0.027 0.000 0.338 46 Y C 0.044 176.089 175.900 0.242 0.000 1.055 46 Y CA -0.976 57.245 58.100 0.202 0.000 1.101 46 Y CB 1.590 40.138 38.460 0.147 0.000 1.221 46 Y HN 0.683 nan 8.280 nan 0.000 0.460 47 C N -0.016 119.481 119.300 0.328 0.000 2.595 47 C HA 0.377 4.853 4.460 0.027 0.000 0.338 47 C C 1.515 176.565 174.990 0.099 0.000 1.219 47 C CA -0.658 58.468 59.018 0.180 0.000 1.811 47 C CB 1.476 29.319 27.740 0.171 0.000 2.313 47 C HN 1.120 nan 8.230 nan 0.000 0.499 48 C N 1.446 120.754 119.300 0.014 0.000 2.462 48 C HA -0.000 4.476 4.460 0.027 0.000 0.278 48 C C 0.992 175.995 174.990 0.022 0.000 1.253 48 C CA 1.001 60.016 59.018 -0.005 0.000 1.713 48 C CB -1.484 26.222 27.740 -0.056 0.000 2.049 48 C HN 1.010 nan 8.230 nan 0.000 0.477 49 N N -0.525 118.191 118.700 0.027 0.000 2.571 49 N HA 0.308 5.064 4.740 0.027 0.000 0.273 49 N C -0.379 175.156 175.510 0.041 0.000 1.340 49 N CA -0.602 52.470 53.050 0.037 0.000 0.789 49 N CB 0.474 38.983 38.487 0.037 0.000 1.514 49 N HN -0.066 nan 8.380 nan 0.000 0.499 50 E N -0.417 119.804 120.200 0.033 0.000 2.152 50 E HA 0.028 4.394 4.350 0.027 0.000 0.192 50 E C 1.366 177.956 176.600 -0.017 0.000 0.983 50 E CA 0.407 56.819 56.400 0.021 0.000 0.818 50 E CB -0.160 29.550 29.700 0.017 0.000 0.758 50 E HN 0.529 nan 8.360 nan 0.000 0.467 51 L N 1.134 122.351 121.223 -0.011 0.000 2.017 51 L HA -0.186 4.170 4.340 0.027 0.000 0.208 51 L C 1.377 178.230 176.870 -0.029 0.000 1.073 51 L CA 1.799 56.606 54.840 -0.056 0.000 0.745 51 L CB -0.474 41.610 42.059 0.042 0.000 0.894 51 L HN 0.038 nan 8.230 nan 0.000 0.432 52 N N -1.131 117.607 118.700 0.064 0.000 2.166 52 N HA -0.206 4.550 4.740 0.027 0.000 0.186 52 N C 2.016 177.555 175.510 0.049 0.000 1.019 52 N CA 1.433 54.540 53.050 0.095 0.000 0.856 52 N CB -1.082 37.430 38.487 0.042 0.000 0.993 52 N HN 0.538 nan 8.380 nan 0.000 0.426 53 C N 0.427 119.742 119.300 0.026 0.000 2.436 53 C HA -0.016 4.460 4.460 0.027 0.000 0.277 53 C C 2.761 177.714 174.990 -0.061 0.000 1.241 53 C CA 1.372 60.407 59.018 0.029 0.000 1.721 53 C CB -1.283 26.503 27.740 0.076 0.000 2.043 53 C HN 0.527 nan 8.230 nan 0.000 0.472 54 G N -0.779 107.961 108.800 -0.099 0.000 2.446 54 G HA2 -0.193 3.784 3.960 0.027 0.000 0.217 54 G HA3 -0.193 3.784 3.960 0.027 0.000 0.217 54 G C 1.342 176.149 174.900 -0.154 0.000 1.168 54 G CA 0.907 45.903 45.100 -0.174 0.000 0.771 54 G HN 0.482 nan 8.290 nan 0.000 0.551 55 F N 1.729 121.645 119.950 -0.057 0.000 2.293 55 F HA 0.044 4.587 4.527 0.026 0.000 0.300 55 F C 2.990 178.700 175.800 -0.151 0.000 1.086 55 F CA 0.831 58.805 58.000 -0.043 0.000 1.375 55 F CB -0.400 38.589 39.000 -0.017 0.000 1.045 55 F HN 0.085 nan 8.300 nan 0.000 0.516 56 S N -0.013 115.640 115.700 -0.078 0.000 2.368 56 S HA -0.169 4.317 4.470 0.027 0.000 0.225 56 S C 2.426 176.602 174.600 -0.706 0.000 1.030 56 S CA 1.072 59.028 58.200 -0.407 0.000 0.999 56 S CB -0.646 62.223 63.200 -0.552 0.000 0.844 56 S HN 0.356 nan 8.310 nan 0.000 0.459 57 A N 1.581 124.050 122.820 -0.584 0.000 1.902 57 A HA -0.141 4.195 4.320 0.027 0.000 0.217 57 A C 2.101 179.665 177.584 -0.033 0.000 1.181 57 A CA 1.469 53.321 52.037 -0.308 0.000 0.623 57 A CB -0.572 18.371 19.000 -0.096 0.000 0.818 57 A HN 0.453 nan 8.150 nan 0.000 0.443 58 E N -0.045 120.172 120.200 0.028 0.000 2.058 58 E HA -0.181 4.185 4.350 0.027 0.000 0.194 58 E C 2.162 178.860 176.600 0.163 0.000 0.997 58 E CA 1.508 58.000 56.400 0.154 0.000 0.801 58 E CB -0.545 29.353 29.700 0.329 0.000 0.746 58 E HN 0.492 nan 8.360 nan 0.000 0.450 59 G N -0.311 108.544 108.800 0.092 0.000 2.422 59 G HA2 -0.301 3.675 3.960 0.027 0.000 0.218 59 G HA3 -0.301 3.675 3.960 0.027 0.000 0.218 59 G C 1.546 176.478 174.900 0.054 0.000 1.146 59 G CA 0.908 46.033 45.100 0.042 0.000 0.769 59 G HN 0.381 nan 8.290 nan 0.000 0.547 60 Y N 1.837 122.087 120.300 -0.083 0.000 2.181 60 Y HA 0.002 4.567 4.550 0.026 0.000 0.288 60 Y C 2.965 178.886 175.900 0.036 0.000 1.146 60 Y CA 1.390 59.485 58.100 -0.009 0.000 1.164 60 Y CB -0.192 38.331 38.460 0.105 0.000 0.982 60 Y HN 0.254 nan 8.280 nan 0.000 0.515 61 A N 0.383 123.331 122.820 0.214 0.000 1.940 61 A HA -0.234 4.102 4.320 0.027 0.000 0.219 61 A C 2.235 179.852 177.584 0.055 0.000 1.176 61 A CA 1.878 53.995 52.037 0.134 0.000 0.631 61 A CB -0.627 18.446 19.000 0.122 0.000 0.814 61 A HN 0.533 nan 8.150 nan 0.000 0.446 62 R N -0.033 120.508 120.500 0.068 0.000 2.105 62 R HA -0.129 4.227 4.340 0.027 0.000 0.239 62 R C 2.538 178.844 176.300 0.010 0.000 1.135 62 R CA 1.865 58.004 56.100 0.066 0.000 0.967 62 R CB -0.252 30.125 30.300 0.128 0.000 0.861 62 R HN 0.738 nan 8.270 nan 0.000 0.442 63 S N -1.038 114.631 115.700 -0.052 0.000 2.483 63 S HA -0.001 4.485 4.470 0.027 0.000 0.221 63 S C 1.542 176.050 174.600 -0.153 0.000 1.030 63 S CA 0.680 58.825 58.200 -0.093 0.000 0.925 63 S CB 0.034 63.172 63.200 -0.102 0.000 0.795 63 S HN 0.296 nan 8.310 nan 0.000 0.511 64 N N 0.607 119.170 118.700 -0.228 0.000 2.432 64 N HA 0.312 5.068 4.740 0.027 0.000 0.174 64 N C 1.261 176.735 175.510 -0.061 0.000 1.037 64 N CA 1.102 54.030 53.050 -0.203 0.000 0.892 64 N CB 0.388 38.644 38.487 -0.385 0.000 1.049 64 N HN 0.527 nan 8.380 nan 0.000 0.442 65 G N -1.041 107.745 108.800 -0.022 0.000 2.481 65 G HA2 0.097 4.073 3.960 0.027 0.000 0.200 65 G HA3 0.097 4.073 3.960 0.027 0.000 0.200 65 G C 0.014 174.934 174.900 0.033 0.000 1.012 65 G CA -0.012 45.088 45.100 -0.000 0.000 0.676 65 G HN 0.733 nan 8.290 nan 0.000 0.488 66 A N -0.852 122.019 122.820 0.086 0.000 2.588 66 A HA 1.135 5.471 4.320 0.027 0.000 0.290 66 A C -0.388 177.335 177.584 0.231 0.000 1.136 66 A CA 0.461 52.566 52.037 0.113 0.000 0.681 66 A CB 0.905 19.950 19.000 0.076 0.000 1.282 66 A HN 2.229 nan 8.150 nan 0.000 0.421 67 A N -1.081 121.852 122.820 0.188 0.000 2.599 67 A HA 1.023 5.359 4.320 0.027 0.000 0.290 67 A C -0.712 176.941 177.584 0.114 0.000 1.101 67 A CA -0.020 52.145 52.037 0.213 0.000 0.674 67 A CB 0.870 20.029 19.000 0.265 0.000 1.277 67 A HN 2.640 nan 8.150 nan 0.000 0.419 68 A N -0.519 122.368 122.820 0.111 0.000 2.455 68 A HA 0.932 5.268 4.320 0.027 0.000 0.300 68 A C -0.436 177.247 177.584 0.164 0.000 1.040 68 A CA 0.126 52.219 52.037 0.092 0.000 0.697 68 A CB 1.315 20.338 19.000 0.038 0.000 1.265 68 A HN 2.528 nan 8.150 nan 0.000 0.407 69 A N 1.154 124.046 122.820 0.121 0.000 2.386 69 A HA 0.759 5.095 4.320 0.027 0.000 0.311 69 A C -1.091 176.559 177.584 0.109 0.000 1.068 69 A CA -0.518 51.610 52.037 0.152 0.000 0.743 69 A CB 1.523 20.585 19.000 0.103 0.000 1.258 69 A HN 1.379 nan 8.150 nan 0.000 0.429 70 V N 2.808 122.808 119.914 0.143 0.000 2.444 70 V HA 0.632 4.768 4.120 0.027 0.000 0.294 70 V C 0.060 176.226 176.094 0.120 0.000 1.022 70 V CA -0.372 61.996 62.300 0.113 0.000 0.850 70 V CB 1.018 32.922 31.823 0.135 0.000 0.992 70 V HN 1.172 nan 8.190 nan 0.000 0.426 71 V N 1.583 121.553 119.914 0.094 0.000 3.158 71 V HA 0.790 4.926 4.120 0.027 0.000 0.311 71 V C -0.190 175.978 176.094 0.123 0.000 1.181 71 V CA -0.608 61.752 62.300 0.100 0.000 1.054 71 V CB 2.022 33.890 31.823 0.074 0.000 1.085 71 V HN 0.695 nan 8.190 nan 0.000 0.446 72 T N 0.448 115.085 114.554 0.138 0.000 2.902 72 T HA 0.543 4.909 4.350 0.027 0.000 0.280 72 T C -0.582 174.250 174.700 0.221 0.000 0.992 72 T CA -0.325 61.910 62.100 0.225 0.000 1.015 72 T CB 0.655 69.676 68.868 0.255 0.000 1.044 72 T HN 0.688 nan 8.240 nan 0.000 0.520 73 F N 2.984 123.013 119.950 0.131 0.000 2.607 73 F HA 0.231 4.774 4.527 0.026 0.000 0.374 73 F C 1.699 177.527 175.800 0.047 0.000 1.104 73 F CA 1.295 59.290 58.000 -0.007 0.000 1.296 73 F CB -0.311 38.493 39.000 -0.326 0.000 1.085 73 F HN 0.910 nan 8.300 nan 0.000 0.584 74 S N 1.195 116.539 115.700 -0.595 0.000 4.024 74 S HA -0.355 4.131 4.470 0.027 0.000 0.420 74 S C 1.575 176.110 174.600 -0.108 0.000 1.771 74 S CA 2.364 60.370 58.200 -0.323 0.000 4.062 74 S CB -1.833 61.294 63.200 -0.122 0.000 0.800 74 S HN 1.144 nan 8.310 nan 0.000 0.459 75 V N 0.667 120.529 119.914 -0.087 0.000 2.469 75 V HA 0.089 4.225 4.120 0.027 0.000 0.251 75 V C 2.133 178.186 176.094 -0.068 0.000 1.064 75 V CA 2.579 64.819 62.300 -0.101 0.000 1.066 75 V CB -1.510 30.171 31.823 -0.237 0.000 0.667 75 V HN 0.709 nan 8.190 nan 0.000 0.461 76 G N -0.443 108.325 108.800 -0.054 0.000 2.447 76 G HA2 0.150 4.126 3.960 0.027 0.000 0.211 76 G HA3 0.150 4.126 3.960 0.027 0.000 0.211 76 G C 1.708 176.603 174.900 -0.009 0.000 1.184 76 G CA 0.762 45.856 45.100 -0.010 0.000 0.813 76 G HN 0.774 nan 8.290 nan 0.000 0.540 77 A N 0.903 123.710 122.820 -0.022 0.000 1.908 77 A HA 0.015 4.351 4.320 0.027 0.000 0.218 77 A C 2.386 179.957 177.584 -0.021 0.000 1.181 77 A CA 1.347 53.379 52.037 -0.007 0.000 0.627 77 A CB -0.434 18.555 19.000 -0.017 0.000 0.818 77 A HN 0.371 nan 8.150 nan 0.000 0.445 78 I N 0.721 121.265 120.570 -0.042 0.000 2.163 78 I HA -0.285 3.901 4.170 0.027 0.000 0.243 78 I C 2.849 178.964 176.117 -0.004 0.000 1.085 78 I CA 1.779 63.067 61.300 -0.021 0.000 1.347 78 I CB -0.324 37.673 38.000 -0.005 0.000 1.044 78 I HN 0.483 nan 8.210 nan 0.000 0.408 79 S N 1.149 116.849 115.700 -0.001 0.000 2.402 79 S HA -0.044 4.443 4.470 0.027 0.000 0.229 79 S C 2.181 176.758 174.600 -0.039 0.000 1.021 79 S CA 0.694 58.897 58.200 0.005 0.000 0.974 79 S CB -0.542 62.671 63.200 0.021 0.000 0.800 79 S HN 0.420 nan 8.310 nan 0.000 0.484 80 A N 1.846 124.638 122.820 -0.047 0.000 2.019 80 A HA 0.130 4.466 4.320 0.027 0.000 0.219 80 A C 2.206 179.731 177.584 -0.098 0.000 1.164 80 A CA 1.307 53.291 52.037 -0.088 0.000 0.644 80 A CB -0.801 18.177 19.000 -0.037 0.000 0.805 80 A HN 0.547 nan 8.150 nan 0.000 0.449 81 M N -0.446 119.126 119.600 -0.047 0.000 2.358 81 M HA -0.138 4.358 4.480 0.027 0.000 0.264 81 M C 2.045 178.326 176.300 -0.032 0.000 1.064 81 M CA 1.064 56.340 55.300 -0.040 0.000 1.093 81 M CB -0.341 32.245 32.600 -0.023 0.000 1.401 81 M HN 0.512 nan 8.290 nan 0.000 0.440 82 N N 0.953 119.651 118.700 -0.003 0.000 2.084 82 N HA -0.106 4.650 4.740 0.027 0.000 0.190 82 N C 1.588 177.051 175.510 -0.079 0.000 1.030 82 N CA 1.905 55.031 53.050 0.126 0.000 0.849 82 N CB -0.056 38.523 38.487 0.154 0.000 1.012 82 N HN 0.334 nan 8.380 nan 0.000 0.423 83 A N 1.326 123.886 122.820 -0.433 0.000 1.930 83 A HA -0.029 4.307 4.320 0.027 0.000 0.217 83 A C 2.558 179.915 177.584 -0.378 0.000 1.175 83 A CA 0.724 52.329 52.037 -0.720 0.000 0.627 83 A CB -0.701 17.788 19.000 -0.851 0.000 0.815 83 A HN 0.348 nan 8.150 nan 0.000 0.443 84 L N -0.726 120.347 121.223 -0.248 0.000 2.012 84 L HA -0.183 4.173 4.340 0.027 0.000 0.210 84 L C 2.838 179.554 176.870 -0.256 0.000 1.073 84 L CA 1.400 56.141 54.840 -0.165 0.000 0.748 84 L CB -0.893 41.123 42.059 -0.072 0.000 0.891 84 L HN 0.518 nan 8.230 nan 0.000 0.431 85 G N -0.675 107.896 108.800 -0.381 0.000 2.440 85 G HA2 -0.235 3.741 3.960 0.027 0.000 0.218 85 G HA3 -0.235 3.741 3.960 0.027 0.000 0.218 85 G C 1.520 175.619 174.900 -1.336 0.000 1.154 85 G CA 0.782 45.462 45.100 -0.700 0.000 0.767 85 G HN 0.521 nan 8.290 nan 0.000 0.552 86 G N 1.116 108.971 108.800 -1.574 0.000 2.440 86 G HA2 0.010 3.986 3.960 0.027 0.000 0.218 86 G HA3 0.010 3.986 3.960 0.027 0.000 0.218 86 G C 2.057 176.678 174.900 -0.465 0.000 1.154 86 G CA 1.572 45.854 45.100 -1.365 0.000 0.767 86 G HN 0.664 nan 8.290 nan 0.000 0.552 87 A N -0.295 122.364 122.820 -0.268 0.000 1.933 87 A HA -0.017 4.319 4.320 0.027 0.000 0.218 87 A C 2.219 179.752 177.584 -0.086 0.000 1.175 87 A CA 1.668 53.647 52.037 -0.098 0.000 0.628 87 A CB -0.635 18.332 19.000 -0.056 0.000 0.814 87 A HN 0.424 nan 8.150 nan 0.000 0.444 88 Y N 0.479 120.642 120.300 -0.228 0.000 2.114 88 Y HA -0.109 4.459 4.550 0.029 0.000 0.284 88 Y C 2.769 178.588 175.900 -0.134 0.000 1.143 88 Y CA 1.247 59.250 58.100 -0.163 0.000 1.135 88 Y CB -0.597 37.761 38.460 -0.170 0.000 0.980 88 Y HN 0.314 nan 8.280 nan 0.000 0.499 89 A N -0.155 122.701 122.820 0.059 0.000 1.940 89 A HA -0.172 4.164 4.320 0.027 0.000 0.219 89 A C 1.743 179.349 177.584 0.036 0.000 1.176 89 A CA 2.013 54.104 52.037 0.090 0.000 0.631 89 A CB -0.425 18.658 19.000 0.139 0.000 0.814 89 A HN 0.501 nan 8.150 nan 0.000 0.446 90 E N 0.101 120.290 120.200 -0.018 0.000 2.451 90 E HA 0.058 4.424 4.350 0.027 0.000 0.194 90 E C -0.546 176.040 176.600 -0.023 0.000 1.027 90 E CA -0.269 56.123 56.400 -0.013 0.000 0.914 90 E CB -0.246 29.451 29.700 -0.006 0.000 1.054 90 E HN 0.589 nan 8.360 nan 0.000 0.461 91 N N 0.801 119.460 118.700 -0.068 0.000 2.725 91 N HA -0.208 4.548 4.740 0.027 0.000 0.251 91 N C -0.739 174.722 175.510 -0.082 0.000 1.031 91 N CA 0.661 53.645 53.050 -0.109 0.000 0.720 91 N CB -1.462 36.974 38.487 -0.085 0.000 0.930 91 N HN 0.229 nan 8.380 nan 0.000 0.543 92 L N 0.721 121.903 121.223 -0.069 0.000 2.356 92 L HA 0.419 4.776 4.340 0.027 0.000 0.277 92 L C -1.970 174.877 176.870 -0.038 0.000 0.996 92 L CA -1.694 53.130 54.840 -0.028 0.000 0.822 92 L CB 2.200 44.274 42.059 0.026 0.000 1.256 92 L HN -0.186 nan 8.230 nan 0.000 0.413 93 P HA 0.090 nan 4.420 nan 0.000 0.244 93 P C -0.379 176.928 177.300 0.013 0.000 1.769 93 P CA -0.088 62.997 63.100 -0.025 0.000 1.102 93 P CB 0.304 31.988 31.700 -0.027 0.000 1.937 94 V N 4.777 124.700 119.914 0.015 0.000 2.498 94 V HA 0.197 4.333 4.120 0.027 0.000 0.279 94 V C 0.938 177.048 176.094 0.026 0.000 1.048 94 V CA -0.341 61.979 62.300 0.033 0.000 0.967 94 V CB 1.027 32.864 31.823 0.023 0.000 0.988 94 V HN 0.272 nan 8.190 nan 0.000 0.473 95 I N 5.626 126.215 120.570 0.031 0.000 2.312 95 I HA 0.316 4.502 4.170 0.027 0.000 0.290 95 I C -0.390 175.738 176.117 0.019 0.000 1.008 95 I CA -0.350 60.962 61.300 0.020 0.000 1.226 95 I CB 1.439 39.443 38.000 0.006 0.000 1.371 95 I HN 0.429 nan 8.210 nan 0.000 0.468 96 L N 8.862 130.099 121.223 0.024 0.000 2.265 96 L HA 0.535 4.892 4.340 0.027 0.000 0.288 96 L C -0.734 176.089 176.870 -0.078 0.000 1.058 96 L CA 0.110 54.959 54.840 0.015 0.000 0.809 96 L CB 0.607 42.712 42.059 0.077 0.000 1.179 96 L HN 0.392 nan 8.230 nan 0.000 0.429 97 I N 4.399 124.925 120.570 -0.073 0.000 2.355 97 I HA 0.365 4.552 4.170 0.027 0.000 0.288 97 I C 0.158 176.219 176.117 -0.092 0.000 0.999 97 I CA 0.084 61.302 61.300 -0.136 0.000 1.163 97 I CB 1.654 39.605 38.000 -0.083 0.000 1.316 97 I HN 0.593 nan 8.210 nan 0.000 0.454 98 S N 4.041 119.644 115.700 -0.162 0.000 2.525 98 S HA 0.727 5.213 4.470 0.027 0.000 0.290 98 S C 0.302 174.917 174.600 0.025 0.000 1.152 98 S CA -0.640 57.551 58.200 -0.015 0.000 1.072 98 S CB 0.960 64.196 63.200 0.061 0.000 1.027 98 S HN 0.777 nan 8.310 nan 0.000 0.500 99 G N 2.057 110.918 108.800 0.102 0.000 2.544 99 G HA2 0.556 4.532 3.960 0.027 0.000 0.242 99 G HA3 0.556 4.532 3.960 0.027 0.000 0.242 99 G C -0.281 174.653 174.900 0.056 0.000 1.247 99 G CA 0.084 45.252 45.100 0.114 0.000 0.840 99 G HN 1.070 nan 8.290 nan 0.000 0.578 100 A N 2.543 125.288 122.820 -0.126 0.000 2.566 100 A HA 0.894 5.230 4.320 0.027 0.000 0.292 100 A C -2.840 174.340 177.584 -0.672 0.000 1.112 100 A CA -1.479 50.244 52.037 -0.523 0.000 0.707 100 A CB 1.532 20.360 19.000 -0.287 0.000 1.302 100 A HN 0.515 nan 8.150 nan 0.000 0.409 101 P HA -0.011 nan 4.420 nan 0.000 0.267 101 P C -0.284 176.896 177.300 -0.200 0.000 1.201 101 P CA -0.247 62.469 63.100 -0.641 0.000 0.775 101 P CB 0.351 31.472 31.700 -0.966 0.000 0.854 102 N N 1.341 120.027 118.700 -0.023 0.000 2.292 102 N HA -0.093 4.664 4.740 0.027 0.000 0.258 102 N C 1.181 176.706 175.510 0.025 0.000 1.261 102 N CA 0.711 53.774 53.050 0.023 0.000 0.845 102 N CB 0.525 39.047 38.487 0.058 0.000 1.064 102 N HN 0.362 nan 8.380 nan 0.000 0.471 103 S N 2.974 118.688 115.700 0.022 0.000 2.442 103 S HA -0.077 4.409 4.470 0.027 0.000 0.236 103 S C 1.139 175.761 174.600 0.037 0.000 1.007 103 S CA 0.586 58.803 58.200 0.028 0.000 0.965 103 S CB -0.040 63.168 63.200 0.014 0.000 0.773 103 S HN 0.629 nan 8.310 nan 0.000 0.504 104 N N 1.646 120.372 118.700 0.042 0.000 2.512 104 N HA -0.009 4.747 4.740 0.027 0.000 0.183 104 N C 0.502 176.048 175.510 0.059 0.000 1.073 104 N CA 0.866 53.942 53.050 0.043 0.000 0.911 104 N CB -0.209 38.307 38.487 0.047 0.000 0.964 104 N HN 0.491 nan 8.380 nan 0.000 0.447 105 D N 0.742 121.201 120.400 0.100 0.000 2.323 105 D HA -0.049 4.608 4.640 0.027 0.000 0.209 105 D C 0.675 177.041 176.300 0.110 0.000 0.973 105 D CA 0.366 54.458 54.000 0.153 0.000 0.874 105 D CB 0.172 41.099 40.800 0.211 0.000 0.930 105 D HN 0.256 nan 8.370 nan 0.000 0.521 106 Q N -0.180 119.673 119.800 0.089 0.000 2.274 106 Q HA 0.288 4.644 4.340 0.027 0.000 0.280 106 Q C 0.916 176.885 176.000 -0.052 0.000 1.047 106 Q CA 0.808 56.618 55.803 0.011 0.000 0.907 106 Q CB 0.441 29.174 28.738 -0.009 0.000 1.171 106 Q HN 0.288 nan 8.270 nan 0.000 0.381 107 G N 2.530 111.275 108.800 -0.091 0.000 2.179 107 G HA2 -0.317 3.659 3.960 0.027 0.000 0.257 107 G HA3 -0.317 3.659 3.960 0.027 0.000 0.257 107 G C 0.533 175.374 174.900 -0.099 0.000 1.010 107 G CA 0.791 45.838 45.100 -0.088 0.000 0.736 107 G HN 0.797 nan 8.290 nan 0.000 0.513 108 T N -3.505 110.965 114.554 -0.141 0.000 3.014 108 T HA 0.448 4.814 4.350 0.027 0.000 0.250 108 T C 2.325 176.895 174.700 -0.217 0.000 1.060 108 T CA 1.479 63.422 62.100 -0.262 0.000 1.040 108 T CB 0.530 69.045 68.868 -0.588 0.000 0.971 108 T HN 2.098 nan 8.240 nan 0.000 0.497 109 G N 1.280 110.026 108.800 -0.091 0.000 2.159 109 G HA2 -0.249 3.727 3.960 0.027 0.000 0.256 109 G HA3 -0.249 3.727 3.960 0.027 0.000 0.256 109 G C -0.094 174.877 174.900 0.118 0.000 0.977 109 G CA 0.104 45.210 45.100 0.010 0.000 0.652 109 G HN 0.793 nan 8.290 nan 0.000 0.531 110 H N -0.286 118.835 119.070 0.084 0.000 2.886 110 H HA 0.390 4.962 4.556 0.027 0.000 0.329 110 H C 0.896 176.297 175.328 0.122 0.000 1.044 110 H CA -0.262 55.840 56.048 0.091 0.000 1.456 110 H CB 0.724 30.539 29.762 0.088 0.000 1.464 110 H HN 0.264 nan 8.280 nan 0.000 0.573 111 I N 4.961 125.664 120.570 0.222 0.000 2.395 111 I HA 0.104 4.290 4.170 0.027 0.000 0.289 111 I C -0.208 175.990 176.117 0.135 0.000 1.023 111 I CA -0.049 61.355 61.300 0.174 0.000 1.350 111 I CB 0.710 38.788 38.000 0.130 0.000 1.409 111 I HN 0.275 nan 8.210 nan 0.000 0.507 112 L N 5.509 126.803 121.223 0.119 0.000 2.333 112 L HA 0.436 4.792 4.340 0.027 0.000 0.269 112 L C 0.256 177.168 176.870 0.070 0.000 1.010 112 L CA -1.079 53.791 54.840 0.051 0.000 0.818 112 L CB 1.378 43.372 42.059 -0.109 0.000 1.306 112 L HN 0.602 nan 8.230 nan 0.000 0.430 113 H N 0.953 120.045 119.070 0.036 0.000 2.852 113 H HA 0.018 4.590 4.556 0.027 0.000 0.362 113 H C -0.263 175.146 175.328 0.135 0.000 1.122 113 H CA 0.022 56.056 56.048 -0.023 0.000 1.419 113 H CB 0.383 29.995 29.762 -0.251 0.000 1.401 113 H HN 0.711 nan 8.280 nan 0.000 0.609 114 H N -1.133 118.097 119.070 0.267 0.000 2.992 114 H HA -0.180 4.392 4.556 0.027 0.000 0.266 114 H C 0.228 175.738 175.328 0.304 0.000 1.200 114 H CA 1.151 57.367 56.048 0.280 0.000 1.135 114 H CB -2.322 27.670 29.762 0.384 0.000 1.282 114 H HN 0.972 nan 8.280 nan 0.000 0.351 115 T N -2.682 112.093 114.554 0.368 0.000 2.926 115 T HA 0.611 4.977 4.350 0.027 0.000 0.289 115 T C 1.737 176.584 174.700 0.244 0.000 1.054 115 T CA -0.531 61.822 62.100 0.421 0.000 1.015 115 T CB 1.731 70.860 68.868 0.436 0.000 1.167 115 T HN 0.228 nan 8.240 nan 0.000 0.526 116 I N -1.514 119.134 120.570 0.129 0.000 3.334 116 I HA 0.421 4.607 4.170 0.027 0.000 0.282 116 I C 1.500 177.644 176.117 0.044 0.000 1.313 116 I CA 0.433 61.719 61.300 -0.023 0.000 1.396 116 I CB -0.902 36.940 38.000 -0.263 0.000 1.054 116 I HN 1.049 nan 8.210 nan 0.000 0.495 117 G N 1.122 109.992 108.800 0.117 0.000 2.179 117 G HA2 -0.216 3.760 3.960 0.027 0.000 0.220 117 G HA3 -0.216 3.760 3.960 0.027 0.000 0.220 117 G C 0.173 175.140 174.900 0.111 0.000 0.990 117 G CA -0.157 45.008 45.100 0.110 0.000 0.646 117 G HN 0.473 nan 8.290 nan 0.000 0.517 118 K N -0.077 120.401 120.400 0.130 0.000 2.148 118 K HA 0.557 4.893 4.320 0.027 0.000 0.239 118 K C 2.011 178.712 176.600 0.169 0.000 1.018 118 K CA 0.107 56.469 56.287 0.124 0.000 0.923 118 K CB 0.646 33.210 32.500 0.107 0.000 1.117 118 K HN 0.184 nan 8.250 nan 0.000 0.477 119 T N -2.565 112.065 114.554 0.128 0.000 2.995 119 T HA -0.100 4.266 4.350 0.027 0.000 0.269 119 T C 0.507 175.275 174.700 0.114 0.000 1.091 119 T CA 0.702 62.877 62.100 0.125 0.000 1.128 119 T CB -0.175 68.734 68.868 0.070 0.000 0.891 119 T HN 0.664 nan 8.240 nan 0.000 0.492 120 D N 0.396 120.849 120.400 0.087 0.000 2.414 120 D HA 0.230 4.886 4.640 0.027 0.000 0.241 120 D C -0.681 175.692 176.300 0.121 0.000 1.008 120 D CA -1.252 52.709 54.000 -0.065 0.000 1.001 120 D CB 1.441 42.181 40.800 -0.100 0.000 1.277 120 D HN 0.509 nan 8.370 nan 0.000 0.538 121 Y N -1.583 118.800 120.300 0.137 0.000 2.909 121 Y HA 0.286 4.852 4.550 0.027 0.000 0.239 121 Y C 0.591 176.476 175.900 -0.025 0.000 1.023 121 Y CA -0.467 57.731 58.100 0.164 0.000 1.124 121 Y CB -0.308 38.248 38.460 0.160 0.000 1.226 121 Y HN 0.214 nan 8.280 nan 0.000 0.652 122 S N -1.138 114.549 115.700 -0.022 0.000 2.603 122 S HA -0.104 4.382 4.470 0.027 0.000 0.220 122 S C 1.354 175.949 174.600 -0.008 0.000 0.967 122 S CA 0.499 58.685 58.200 -0.023 0.000 0.920 122 S CB -1.113 62.061 63.200 -0.045 0.000 0.773 122 S HN 0.711 nan 8.310 nan 0.000 0.529 123 Y N 1.177 121.536 120.300 0.100 0.000 2.293 123 Y HA -0.023 4.543 4.550 0.027 0.000 0.291 123 Y C 2.413 178.306 175.900 -0.012 0.000 1.137 123 Y CA 1.058 59.180 58.100 0.037 0.000 1.202 123 Y CB -0.799 37.685 38.460 0.040 0.000 0.990 123 Y HN 0.345 nan 8.280 nan 0.000 0.537 124 Q N 0.644 120.130 119.800 -0.523 0.000 2.050 124 Q HA -0.198 4.158 4.340 0.027 0.000 0.202 124 Q C 2.232 178.060 176.000 -0.287 0.000 0.980 124 Q CA 1.921 57.492 55.803 -0.385 0.000 0.840 124 Q CB -0.258 28.113 28.738 -0.612 0.000 0.898 124 Q HN 0.577 nan 8.270 nan 0.000 0.424 125 L N 1.149 122.253 121.223 -0.198 0.000 2.083 125 L HA -0.168 4.188 4.340 0.027 0.000 0.209 125 L C 2.017 178.763 176.870 -0.208 0.000 1.083 125 L CA 1.859 56.553 54.840 -0.243 0.000 0.752 125 L CB -0.475 41.572 42.059 -0.019 0.000 0.899 125 L HN 0.209 nan 8.230 nan 0.000 0.433 126 E N -0.553 119.585 120.200 -0.102 0.000 2.110 126 E HA -0.225 4.141 4.350 0.027 0.000 0.193 126 E C 2.186 178.737 176.600 -0.081 0.000 0.988 126 E CA 1.737 58.100 56.400 -0.061 0.000 0.804 126 E CB -0.298 29.399 29.700 -0.004 0.000 0.745 126 E HN 0.595 nan 8.360 nan 0.000 0.458 127 M N -0.071 119.473 119.600 -0.093 0.000 2.156 127 M HA -0.071 4.425 4.480 0.027 0.000 0.264 127 M C 2.355 178.561 176.300 -0.157 0.000 1.067 127 M CA 1.384 56.632 55.300 -0.088 0.000 1.131 127 M CB -0.203 32.368 32.600 -0.048 0.000 1.368 127 M HN 0.034 nan 8.290 nan 0.000 0.416 128 A N 0.464 123.105 122.820 -0.298 0.000 1.933 128 A HA -0.145 4.191 4.320 0.027 0.000 0.218 128 A C 2.133 179.585 177.584 -0.221 0.000 1.175 128 A CA 1.421 53.230 52.037 -0.380 0.000 0.628 128 A CB -0.609 17.800 19.000 -0.985 0.000 0.814 128 A HN 0.417 nan 8.150 nan 0.000 0.444 129 R N -1.141 119.252 120.500 -0.179 0.000 2.105 129 R HA -0.170 4.186 4.340 0.027 0.000 0.239 129 R C 2.246 178.501 176.300 -0.075 0.000 1.135 129 R CA 1.496 57.545 56.100 -0.084 0.000 0.967 129 R CB -0.257 30.009 30.300 -0.056 0.000 0.861 129 R HN 0.450 nan 8.270 nan 0.000 0.442 130 Q N -0.001 119.744 119.800 -0.091 0.000 2.234 130 Q HA -0.104 4.253 4.340 0.027 0.000 0.206 130 Q C 1.558 177.460 176.000 -0.163 0.000 0.980 130 Q CA 1.329 57.072 55.803 -0.100 0.000 0.869 130 Q CB 0.203 28.897 28.738 -0.074 0.000 0.912 130 Q HN 0.389 nan 8.270 nan 0.000 0.436 131 V N -3.350 116.474 119.914 -0.151 0.000 3.070 131 V HA 0.454 4.590 4.120 0.027 0.000 0.345 131 V C -0.025 176.037 176.094 -0.054 0.000 1.403 131 V CA 0.141 62.319 62.300 -0.204 0.000 1.155 131 V CB 0.039 31.779 31.823 -0.138 0.000 1.140 131 V HN 0.134 nan 8.190 nan 0.000 0.505 132 T N -2.963 111.611 114.554 0.032 0.000 2.883 132 T HA 0.383 4.749 4.350 0.027 0.000 0.296 132 T C 0.760 175.615 174.700 0.260 0.000 1.117 132 T CA 0.111 62.330 62.100 0.199 0.000 1.006 132 T CB 1.351 70.290 68.868 0.117 0.000 1.191 132 T HN 0.527 nan 8.240 nan 0.000 0.508 133 C N -0.090 119.343 119.300 0.221 0.000 2.673 133 C HA 0.765 5.242 4.460 0.027 0.000 0.264 133 C C 0.950 175.991 174.990 0.084 0.000 1.304 133 C CA 0.105 59.210 59.018 0.146 0.000 1.727 133 C CB -1.623 26.138 27.740 0.034 0.000 1.932 133 C HN 1.188 nan 8.230 nan 0.000 0.563 134 A N 0.052 122.921 122.820 0.081 0.000 2.566 134 A HA 0.829 5.165 4.320 0.027 0.000 0.297 134 A C -0.987 176.684 177.584 0.145 0.000 1.059 134 A CA 0.439 52.531 52.037 0.092 0.000 0.691 134 A CB 0.690 19.654 19.000 -0.061 0.000 1.282 134 A HN 1.681 nan 8.150 nan 0.000 0.401 135 A N 1.933 124.869 122.820 0.194 0.000 2.466 135 A HA 0.736 5.072 4.320 0.027 0.000 0.284 135 A C -1.211 176.529 177.584 0.261 0.000 1.049 135 A CA -0.375 51.825 52.037 0.272 0.000 0.760 135 A CB 1.139 20.236 19.000 0.161 0.000 1.274 135 A HN 0.641 nan 8.150 nan 0.000 0.412 136 E N 0.572 120.938 120.200 0.278 0.000 2.317 136 E HA 0.579 4.945 4.350 0.027 0.000 0.270 136 E C -1.121 175.574 176.600 0.159 0.000 0.885 136 E CA -0.559 55.949 56.400 0.180 0.000 0.760 136 E CB 2.271 32.053 29.700 0.136 0.000 1.227 136 E HN 0.434 nan 8.360 nan 0.000 0.434 137 S N 1.970 117.742 115.700 0.120 0.000 2.530 137 S HA 0.514 5.001 4.470 0.027 0.000 0.322 137 S C -0.380 174.243 174.600 0.038 0.000 1.085 137 S CA -0.583 57.673 58.200 0.094 0.000 1.096 137 S CB 0.083 63.352 63.200 0.114 0.000 0.988 137 S HN 0.344 nan 8.310 nan 0.000 0.466 138 I N 4.215 124.791 120.570 0.009 0.000 2.325 138 I HA 0.266 4.452 4.170 0.027 0.000 0.291 138 I C 1.059 177.173 176.117 -0.005 0.000 1.019 138 I CA -0.076 61.220 61.300 -0.006 0.000 1.302 138 I CB 1.605 39.590 38.000 -0.025 0.000 1.401 138 I HN 0.592 nan 8.210 nan 0.000 0.485 139 T N 3.803 118.357 114.554 -0.001 0.000 3.087 139 T HA 0.100 4.466 4.350 0.027 0.000 0.283 139 T C -0.439 174.263 174.700 0.002 0.000 0.956 139 T CA -0.192 61.909 62.100 0.001 0.000 0.894 139 T CB -0.114 68.757 68.868 0.005 0.000 1.160 139 T HN 0.831 nan 8.240 nan 0.000 0.532 140 D N -0.686 119.716 120.400 0.004 0.000 2.655 140 D HA 0.418 5.074 4.640 0.027 0.000 0.229 140 D C 0.713 177.018 176.300 0.009 0.000 1.229 140 D CA -0.473 53.534 54.000 0.012 0.000 0.807 140 D CB 1.488 42.303 40.800 0.024 0.000 1.514 140 D HN -0.046 nan 8.370 nan 0.000 0.444 141 A N 0.677 123.507 122.820 0.016 0.000 2.014 141 A HA -0.196 4.140 4.320 0.027 0.000 0.218 141 A C 1.948 179.527 177.584 -0.009 0.000 1.163 141 A CA 1.285 53.319 52.037 -0.006 0.000 0.652 141 A CB -1.006 17.998 19.000 0.007 0.000 0.808 141 A HN 0.790 nan 8.150 nan 0.000 0.449 142 H N 0.947 119.987 119.070 -0.050 0.000 2.326 142 H HA -0.104 4.469 4.556 0.028 0.000 0.301 142 H C 2.125 177.414 175.328 -0.065 0.000 1.081 142 H CA 2.029 58.047 56.048 -0.051 0.000 1.334 142 H CB 0.057 29.800 29.762 -0.033 0.000 1.385 142 H HN 0.567 nan 8.280 nan 0.000 0.504 143 S N -0.071 115.636 115.700 0.013 0.000 2.593 143 S HA 0.218 4.705 4.470 0.027 0.000 0.217 143 S C 2.158 176.698 174.600 -0.100 0.000 0.966 143 S CA 0.328 58.501 58.200 -0.045 0.000 0.914 143 S CB 0.082 63.301 63.200 0.032 0.000 0.776 143 S HN 0.509 nan 8.310 nan 0.000 0.523 144 A N 3.315 126.055 122.820 -0.132 0.000 1.858 144 A HA 0.101 4.437 4.320 0.027 0.000 0.216 144 A C 0.064 177.493 177.584 -0.257 0.000 1.190 144 A CA 1.401 53.340 52.037 -0.162 0.000 0.617 144 A CB -1.832 17.068 19.000 -0.167 0.000 0.827 144 A HN 0.520 nan 8.150 nan 0.000 0.443 145 P HA -0.175 nan 4.420 nan 0.000 0.215 145 P C 1.780 179.004 177.300 -0.126 0.000 1.157 145 P CA 2.148 64.914 63.100 -0.556 0.000 0.874 145 P CB -0.165 31.209 31.700 -0.544 0.000 0.790 146 A N -0.166 122.594 122.820 -0.100 0.000 1.908 146 A HA -0.240 4.097 4.320 0.027 0.000 0.218 146 A C 2.117 179.726 177.584 0.041 0.000 1.181 146 A CA 1.849 53.876 52.037 -0.016 0.000 0.627 146 A CB -1.057 17.918 19.000 -0.042 0.000 0.818 146 A HN 0.146 nan 8.150 nan 0.000 0.445 147 K N -0.594 119.816 120.400 0.017 0.000 2.025 147 K HA -0.027 4.310 4.320 0.027 0.000 0.207 147 K C 1.879 178.542 176.600 0.105 0.000 1.049 147 K CA 1.448 57.776 56.287 0.068 0.000 0.933 147 K CB -0.381 32.138 32.500 0.030 0.000 0.714 147 K HN 0.519 nan 8.250 nan 0.000 0.438 148 I N 1.706 122.319 120.570 0.072 0.000 2.163 148 I HA -0.300 3.886 4.170 0.027 0.000 0.243 148 I C 1.667 177.863 176.117 0.133 0.000 1.085 148 I CA 1.371 62.737 61.300 0.110 0.000 1.347 148 I CB -0.301 37.809 38.000 0.183 0.000 1.044 148 I HN 0.122 nan 8.210 nan 0.000 0.408 149 D N -0.604 119.895 120.400 0.165 0.000 2.144 149 D HA -0.225 4.431 4.640 0.027 0.000 0.199 149 D C 1.979 178.346 176.300 0.111 0.000 0.984 149 D CA 1.310 55.393 54.000 0.138 0.000 0.834 149 D CB -0.380 40.510 40.800 0.150 0.000 0.955 149 D HN 0.428 nan 8.370 nan 0.000 0.465 150 H N 0.588 119.683 119.070 0.042 0.000 2.321 150 H HA -0.104 4.468 4.556 0.026 0.000 0.300 150 H C 2.015 177.363 175.328 0.033 0.000 1.087 150 H CA 2.456 58.523 56.048 0.032 0.000 1.319 150 H CB -0.293 29.485 29.762 0.028 0.000 1.379 150 H HN 0.054 nan 8.280 nan 0.000 0.501 151 V N -0.749 119.118 119.914 -0.079 0.000 2.358 151 V HA -0.163 3.973 4.120 0.027 0.000 0.246 151 V C 2.392 178.424 176.094 -0.104 0.000 1.047 151 V CA 2.007 64.229 62.300 -0.129 0.000 1.035 151 V CB -0.856 30.968 31.823 0.001 0.000 0.658 151 V HN 0.472 nan 8.190 nan 0.000 0.452 152 I N -0.069 120.475 120.570 -0.043 0.000 2.179 152 I HA -0.172 4.015 4.170 0.027 0.000 0.242 152 I C 3.144 179.232 176.117 -0.048 0.000 1.088 152 I CA 2.004 63.286 61.300 -0.030 0.000 1.357 152 I CB -0.433 37.565 38.000 -0.002 0.000 1.051 152 I HN 0.213 nan 8.210 nan 0.000 0.409 153 R N 0.002 120.471 120.500 -0.051 0.000 2.092 153 R HA -0.108 4.249 4.340 0.027 0.000 0.231 153 R C 2.321 178.574 176.300 -0.078 0.000 1.119 153 R CA 1.857 57.930 56.100 -0.046 0.000 0.970 153 R CB -0.483 29.808 30.300 -0.015 0.000 0.864 153 R HN 0.376 nan 8.270 nan 0.000 0.440 154 T N 0.905 115.368 114.554 -0.152 0.000 2.737 154 T HA -0.096 4.270 4.350 0.027 0.000 0.265 154 T C 1.962 176.596 174.700 -0.111 0.000 1.038 154 T CA 1.292 63.296 62.100 -0.161 0.000 1.144 154 T CB -0.243 68.443 68.868 -0.303 0.000 0.866 154 T HN 0.337 nan 8.240 nan 0.000 0.434 155 A N 1.556 124.314 122.820 -0.103 0.000 1.873 155 A HA -0.067 4.269 4.320 0.027 0.000 0.218 155 A C 2.328 179.871 177.584 -0.069 0.000 1.193 155 A CA 1.452 53.443 52.037 -0.076 0.000 0.629 155 A CB -0.988 17.981 19.000 -0.051 0.000 0.826 155 A HN 0.477 nan 8.150 nan 0.000 0.447 156 L N -1.357 119.834 121.223 -0.054 0.000 2.056 156 L HA -0.151 4.205 4.340 0.027 0.000 0.207 156 L C 2.815 179.656 176.870 -0.047 0.000 1.078 156 L CA 1.703 56.517 54.840 -0.042 0.000 0.749 156 L CB -0.487 41.555 42.059 -0.028 0.000 0.901 156 L HN 0.509 nan 8.230 nan 0.000 0.433 157 R N 0.557 121.028 120.500 -0.050 0.000 2.075 157 R HA -0.153 4.203 4.340 0.027 0.000 0.232 157 R C 1.889 178.155 176.300 -0.058 0.000 1.126 157 R CA 1.496 57.569 56.100 -0.045 0.000 0.963 157 R CB 0.006 30.283 30.300 -0.037 0.000 0.858 157 R HN 0.366 nan 8.270 nan 0.000 0.435 158 E N -0.087 120.068 120.200 -0.076 0.000 2.474 158 E HA 0.007 4.373 4.350 0.027 0.000 0.194 158 E C -0.381 176.141 176.600 -0.130 0.000 1.041 158 E CA -0.122 56.218 56.400 -0.099 0.000 0.874 158 E CB 0.465 30.100 29.700 -0.108 0.000 0.914 158 E HN 0.136 nan 8.360 nan 0.000 0.498 159 R N 1.252 121.684 120.500 -0.113 0.000 3.264 159 R HA -0.142 4.214 4.340 0.027 0.000 0.251 159 R C -0.946 175.240 176.300 -0.189 0.000 0.971 159 R CA 0.684 56.712 56.100 -0.120 0.000 0.658 159 R CB -1.265 28.973 30.300 -0.104 0.000 1.095 159 R HN -0.041 nan 8.270 nan 0.000 0.443 160 K N -0.401 119.875 120.400 -0.205 0.000 2.477 160 K HA 0.529 4.865 4.320 0.027 0.000 0.255 160 K C -2.624 173.887 176.600 -0.147 0.000 0.952 160 K CA -2.205 53.898 56.287 -0.307 0.000 0.826 160 K CB 2.140 34.349 32.500 -0.484 0.000 1.331 160 K HN -0.152 nan 8.250 nan 0.000 0.437 161 P HA 0.330 nan 4.420 nan 0.000 0.276 161 P C -1.136 176.187 177.300 0.038 0.000 1.252 161 P CA -0.381 62.717 63.100 -0.004 0.000 0.802 161 P CB 1.033 32.745 31.700 0.020 0.000 1.035 162 A N 1.241 124.089 122.820 0.048 0.000 2.527 162 A HA 0.672 5.008 4.320 0.027 0.000 0.293 162 A C -1.919 175.746 177.584 0.136 0.000 1.117 162 A CA -0.628 51.457 52.037 0.081 0.000 0.723 162 A CB 1.333 20.349 19.000 0.026 0.000 1.313 162 A HN 0.591 nan 8.150 nan 0.000 0.411 163 Y N 0.301 120.611 120.300 0.016 0.000 2.446 163 Y HA 0.763 5.329 4.550 0.026 0.000 0.345 163 Y C -1.506 174.412 175.900 0.029 0.000 0.984 163 Y CA -0.947 57.164 58.100 0.018 0.000 1.058 163 Y CB 1.525 39.993 38.460 0.015 0.000 1.220 163 Y HN 0.671 nan 8.280 nan 0.000 0.455 164 L N 5.526 126.346 121.223 -0.670 0.000 2.410 164 L HA 0.389 4.745 4.340 0.027 0.000 0.270 164 L C -1.482 174.939 176.870 -0.748 0.000 0.983 164 L CA -0.859 53.660 54.840 -0.536 0.000 0.822 164 L CB 1.989 43.913 42.059 -0.225 0.000 1.285 164 L HN 0.716 nan 8.230 nan 0.000 0.409 165 D N 3.999 124.148 120.400 -0.418 0.000 2.168 165 D HA 0.565 5.221 4.640 0.027 0.000 0.246 165 D C -0.580 175.665 176.300 -0.092 0.000 1.050 165 D CA 0.048 53.942 54.000 -0.177 0.000 0.857 165 D CB 2.295 43.111 40.800 0.026 0.000 1.169 165 D HN 0.235 nan 8.370 nan 0.000 0.453 166 I N 1.694 122.225 120.570 -0.065 0.000 2.439 166 I HA 0.345 4.531 4.170 0.027 0.000 0.285 166 I C 0.240 176.337 176.117 -0.034 0.000 1.021 166 I CA -1.045 60.230 61.300 -0.040 0.000 1.091 166 I CB 1.873 39.852 38.000 -0.035 0.000 1.242 166 I HN 0.289 nan 8.210 nan 0.000 0.439 167 A N 4.444 127.243 122.820 -0.036 0.000 2.546 167 A HA 0.031 4.367 4.320 0.027 0.000 0.243 167 A C 1.501 179.081 177.584 -0.007 0.000 1.063 167 A CA 0.019 52.030 52.037 -0.043 0.000 0.757 167 A CB 0.032 19.016 19.000 -0.027 0.000 0.991 167 A HN 1.134 nan 8.150 nan 0.000 0.503 168 C N 2.283 121.595 119.300 0.021 0.000 2.413 168 C HA -0.141 4.335 4.460 0.027 0.000 0.277 168 C C 2.049 177.063 174.990 0.041 0.000 1.265 168 C CA 1.076 60.133 59.018 0.065 0.000 1.752 168 C CB -1.382 26.445 27.740 0.146 0.000 1.998 168 C HN 0.914 nan 8.230 nan 0.000 0.489 169 N N 1.607 120.326 118.700 0.031 0.000 2.494 169 N HA -0.008 4.748 4.740 0.027 0.000 0.182 169 N C 1.313 176.831 175.510 0.012 0.000 1.076 169 N CA 0.956 54.019 53.050 0.022 0.000 0.908 169 N CB -0.549 37.952 38.487 0.024 0.000 0.967 169 N HN 0.613 nan 8.380 nan 0.000 0.449 170 I N 0.436 121.010 120.570 0.006 0.000 3.645 170 I HA 0.129 4.315 4.170 0.027 0.000 0.300 170 I C 2.282 178.394 176.117 -0.009 0.000 1.260 170 I CA 0.125 61.424 61.300 -0.002 0.000 1.365 170 I CB 0.070 38.067 38.000 -0.005 0.000 1.077 170 I HN 0.077 nan 8.210 nan 0.000 0.439 171 A N -0.171 122.645 122.820 -0.007 0.000 1.986 171 A HA -0.212 4.124 4.320 0.027 0.000 0.220 171 A C 2.366 179.937 177.584 -0.023 0.000 1.171 171 A CA 2.228 54.256 52.037 -0.015 0.000 0.640 171 A CB -0.557 18.441 19.000 -0.004 0.000 0.811 171 A HN 0.364 nan 8.150 nan 0.000 0.451 172 S N -0.357 115.335 115.700 -0.013 0.000 2.528 172 S HA 0.051 4.537 4.470 0.027 0.000 0.219 172 S C 0.540 175.133 174.600 -0.011 0.000 0.985 172 S CA -0.126 58.066 58.200 -0.014 0.000 0.914 172 S CB -0.057 63.141 63.200 -0.003 0.000 0.776 172 S HN 0.536 nan 8.310 nan 0.000 0.526 173 E N 2.440 122.636 120.200 -0.007 0.000 2.373 173 E HA 0.188 4.554 4.350 0.027 0.000 0.267 173 E C -2.548 174.058 176.600 0.010 0.000 1.032 173 E CA -2.295 54.106 56.400 0.003 0.000 0.889 173 E CB 0.090 29.793 29.700 0.004 0.000 0.984 173 E HN 0.100 nan 8.360 nan 0.000 0.425 174 P HA -0.031 nan 4.420 nan 0.000 0.267 174 P C -0.424 176.913 177.300 0.062 0.000 1.200 174 P CA 0.035 63.168 63.100 0.054 0.000 0.772 174 P CB 0.552 32.284 31.700 0.054 0.000 0.855 175 C N 2.906 122.277 119.300 0.120 0.000 3.170 175 C HA 0.500 4.976 4.460 0.027 0.000 0.319 175 C C -0.106 175.004 174.990 0.200 0.000 1.260 175 C CA -0.593 58.494 59.018 0.115 0.000 1.374 175 C CB 0.895 28.692 27.740 0.095 0.000 1.739 175 C HN 0.607 nan 8.230 nan 0.000 0.479 176 V N 3.486 123.461 119.914 0.101 0.000 3.237 176 V HA 0.483 4.619 4.120 0.027 0.000 0.305 176 V C 0.253 176.470 176.094 0.205 0.000 1.096 176 V CA -0.071 62.286 62.300 0.094 0.000 1.130 176 V CB 0.142 31.986 31.823 0.034 0.000 1.048 176 V HN 0.950 nan 8.190 nan 0.000 0.484 177 R N 2.599 123.088 120.500 -0.018 0.000 2.500 177 R HA 0.515 4.872 4.340 0.027 0.000 0.277 177 R C -2.376 173.930 176.300 0.011 0.000 1.026 177 R CA -1.651 54.323 56.100 -0.210 0.000 1.058 177 R CB 0.885 30.850 30.300 -0.559 0.000 1.078 177 R HN 0.706 nan 8.270 nan 0.000 0.509 178 P HA 0.110 nan 4.420 nan 0.000 0.279 178 P C -0.306 176.921 177.300 -0.121 0.000 1.239 178 P CA -0.347 62.638 63.100 -0.193 0.000 0.789 178 P CB 1.092 32.461 31.700 -0.553 0.000 0.933 179 G N 3.278 112.040 108.800 -0.064 0.000 2.599 179 G HA2 0.422 4.398 3.960 0.027 0.000 0.264 179 G HA3 0.422 4.398 3.960 0.027 0.000 0.264 179 G C -2.280 172.585 174.900 -0.058 0.000 1.200 179 G CA -1.103 43.966 45.100 -0.052 0.000 0.896 179 G HN 0.418 nan 8.290 nan 0.000 0.536 180 P HA 0.296 nan 4.420 nan 0.000 0.271 180 P C -0.283 176.999 177.300 -0.031 0.000 1.218 180 P CA -0.094 62.982 63.100 -0.040 0.000 0.780 180 P CB 1.337 33.018 31.700 -0.032 0.000 0.901 181 V N -1.800 118.096 119.914 -0.030 0.000 2.962 181 V HA 0.430 4.566 4.120 0.027 0.000 0.313 181 V C 1.228 177.312 176.094 -0.017 0.000 1.099 181 V CA -0.546 61.741 62.300 -0.021 0.000 0.971 181 V CB 1.240 33.049 31.823 -0.023 0.000 1.028 181 V HN 0.487 nan 8.190 nan 0.000 0.430 182 S N 1.181 116.874 115.700 -0.011 0.000 2.345 182 S HA 0.078 4.564 4.470 0.027 0.000 0.220 182 S C 0.911 175.505 174.600 -0.010 0.000 1.031 182 S CA 1.622 59.816 58.200 -0.009 0.000 0.996 182 S CB -0.134 63.063 63.200 -0.005 0.000 0.882 182 S HN 1.539 nan 8.310 nan 0.000 0.445 183 S N -1.269 114.425 115.700 -0.009 0.000 2.565 183 S HA 0.424 4.910 4.470 0.027 0.000 0.274 183 S C -0.672 173.922 174.600 -0.010 0.000 1.144 183 S CA -0.682 57.512 58.200 -0.010 0.000 0.849 183 S CB 0.633 63.829 63.200 -0.008 0.000 1.103 183 S HN 0.058 nan 8.310 nan 0.000 0.455 184 L N 2.242 123.459 121.223 -0.011 0.000 2.591 184 L HA 0.485 4.841 4.340 0.027 0.000 0.228 184 L C 0.300 177.164 176.870 -0.010 0.000 1.133 184 L CA 0.682 55.516 54.840 -0.010 0.000 0.880 184 L CB -0.492 41.559 42.059 -0.014 0.000 1.033 184 L HN 0.689 nan 8.230 nan 0.000 0.450 185 L N 0.479 121.696 121.223 -0.010 0.000 2.265 185 L HA 0.472 4.829 4.340 0.027 0.000 0.288 185 L C -0.028 176.838 176.870 -0.006 0.000 1.058 185 L CA 0.003 54.836 54.840 -0.011 0.000 0.809 185 L CB 0.998 43.049 42.059 -0.013 0.000 1.179 185 L HN 0.185 nan 8.230 nan 0.000 0.429 186 S N 3.713 119.410 115.700 -0.005 0.000 2.775 186 S HA 0.539 5.025 4.470 0.027 0.000 0.277 186 S C -0.723 173.877 174.600 -0.000 0.000 1.156 186 S CA -0.954 57.247 58.200 0.001 0.000 1.081 186 S CB 0.812 64.015 63.200 0.006 0.000 1.054 186 S HN 0.680 nan 8.310 nan 0.000 0.482 187 E N 3.239 123.440 120.200 0.001 0.000 2.371 187 E HA 0.346 4.712 4.350 0.027 0.000 0.257 187 E C -2.179 174.426 176.600 0.007 0.000 1.134 187 E CA -1.769 54.632 56.400 0.001 0.000 0.919 187 E CB -0.189 29.513 29.700 0.004 0.000 1.025 187 E HN 0.494 nan 8.360 nan 0.000 0.438 188 P HA -0.014 nan 4.420 nan 0.000 0.271 188 P C -0.406 176.905 177.300 0.018 0.000 1.218 188 P CA -0.060 63.046 63.100 0.011 0.000 0.780 188 P CB 0.389 32.091 31.700 0.004 0.000 0.901 189 E N 2.606 122.821 120.200 0.026 0.000 2.452 189 E HA 0.070 4.436 4.350 0.027 0.000 0.261 189 E C 0.179 176.794 176.600 0.025 0.000 0.987 189 E CA -0.640 55.780 56.400 0.035 0.000 0.926 189 E CB 0.427 30.156 29.700 0.048 0.000 0.934 189 E HN 0.337 nan 8.360 nan 0.000 0.452 190 I N 2.660 123.230 120.570 0.001 0.000 2.529 190 I HA 0.023 4.209 4.170 0.027 0.000 0.284 190 I C -0.305 175.749 176.117 -0.105 0.000 1.082 190 I CA -0.024 61.241 61.300 -0.059 0.000 1.406 190 I CB 0.995 38.918 38.000 -0.128 0.000 1.405 190 I HN 0.728 nan 8.210 nan 0.000 0.548 191 D N 6.624 127.019 120.400 -0.008 0.000 2.352 191 D HA 0.066 4.722 4.640 0.027 0.000 0.245 191 D C 0.756 177.067 176.300 0.018 0.000 1.224 191 D CA 0.013 54.042 54.000 0.049 0.000 0.879 191 D CB 0.401 41.268 40.800 0.113 0.000 1.057 191 D HN 0.583 nan 8.370 nan 0.000 0.491 192 H N 1.318 120.440 119.070 0.086 0.000 2.462 192 H HA -0.038 4.522 4.556 0.007 0.000 0.292 192 H C 1.754 177.111 175.328 0.048 0.000 1.049 192 H CA 1.398 57.476 56.048 0.050 0.000 1.334 192 H CB 0.551 30.330 29.762 0.028 0.000 1.404 192 H HN 0.343 nan 8.280 nan 0.000 0.544 193 T N -0.965 113.690 114.554 0.169 0.000 2.708 193 T HA -0.211 4.155 4.350 0.027 0.000 0.266 193 T C 2.261 177.048 174.700 0.145 0.000 1.037 193 T CA 1.553 63.732 62.100 0.132 0.000 1.146 193 T CB -0.356 68.582 68.868 0.116 0.000 0.865 193 T HN 0.272 nan 8.240 nan 0.000 0.435 194 S N 0.490 116.304 115.700 0.189 0.000 2.368 194 S HA 0.063 4.549 4.470 0.027 0.000 0.224 194 S C 1.976 176.710 174.600 0.222 0.000 1.029 194 S CA 0.529 58.909 58.200 0.299 0.000 0.988 194 S CB -0.511 62.915 63.200 0.378 0.000 0.838 194 S HN 0.380 nan 8.310 nan 0.000 0.462 195 L N 1.356 122.590 121.223 0.017 0.000 2.012 195 L HA -0.156 4.200 4.340 0.027 0.000 0.210 195 L C 2.655 179.387 176.870 -0.231 0.000 1.073 195 L CA 1.955 56.534 54.840 -0.434 0.000 0.748 195 L CB -0.550 41.274 42.059 -0.391 0.000 0.891 195 L HN 0.385 nan 8.230 nan 0.000 0.431 196 K N -0.355 119.999 120.400 -0.076 0.000 2.063 196 K HA -0.208 4.128 4.320 0.027 0.000 0.208 196 K C 1.933 178.493 176.600 -0.066 0.000 1.048 196 K CA 1.492 57.749 56.287 -0.049 0.000 0.928 196 K CB -0.065 32.442 32.500 0.011 0.000 0.713 196 K HN 0.411 nan 8.250 nan 0.000 0.442 197 A N 0.874 123.675 122.820 -0.031 0.000 1.930 197 A HA -0.040 4.296 4.320 0.027 0.000 0.217 197 A C 2.274 179.632 177.584 -0.376 0.000 1.175 197 A CA 1.664 53.676 52.037 -0.042 0.000 0.627 197 A CB -0.586 18.527 19.000 0.188 0.000 0.815 197 A HN 0.467 nan 8.150 nan 0.000 0.443 198 A N -0.530 121.950 122.820 -0.567 0.000 1.898 198 A HA 0.023 4.360 4.320 0.027 0.000 0.216 198 A C 2.220 179.692 177.584 -0.187 0.000 1.181 198 A CA 1.767 53.344 52.037 -0.766 0.000 0.620 198 A CB -0.846 17.954 19.000 -0.334 0.000 0.819 198 A HN 0.357 nan 8.150 nan 0.000 0.442 199 V N 0.538 120.396 119.914 -0.093 0.000 2.307 199 V HA -0.216 3.921 4.120 0.027 0.000 0.245 199 V C 2.185 178.221 176.094 -0.097 0.000 1.045 199 V CA 2.225 64.467 62.300 -0.098 0.000 1.024 199 V CB -0.861 30.846 31.823 -0.193 0.000 0.651 199 V HN 0.470 nan 8.190 nan 0.000 0.449 200 D N 0.680 121.021 120.400 -0.098 0.000 2.104 200 D HA -0.166 4.490 4.640 0.027 0.000 0.194 200 D C 2.206 178.480 176.300 -0.044 0.000 0.994 200 D CA 1.805 55.769 54.000 -0.061 0.000 0.830 200 D CB -0.397 40.379 40.800 -0.039 0.000 0.959 200 D HN 0.436 nan 8.370 nan 0.000 0.452 201 A N 0.022 122.799 122.820 -0.071 0.000 1.930 201 A HA -0.144 4.192 4.320 0.027 0.000 0.217 201 A C 2.349 179.939 177.584 0.011 0.000 1.175 201 A CA 2.041 54.067 52.037 -0.018 0.000 0.627 201 A CB -0.782 18.208 19.000 -0.018 0.000 0.815 201 A HN 0.236 nan 8.150 nan 0.000 0.443 202 T N -0.515 114.046 114.554 0.012 0.000 2.812 202 T HA -0.077 4.289 4.350 0.027 0.000 0.264 202 T C 1.872 176.582 174.700 0.018 0.000 1.042 202 T CA 1.390 63.526 62.100 0.059 0.000 1.140 202 T CB -0.357 68.605 68.868 0.156 0.000 0.870 202 T HN 0.134 nan 8.240 nan 0.000 0.445 203 V N 1.799 121.703 119.914 -0.017 0.000 2.343 203 V HA -0.184 3.952 4.120 0.027 0.000 0.247 203 V C 2.897 178.985 176.094 -0.009 0.000 1.051 203 V CA 1.744 64.028 62.300 -0.027 0.000 1.036 203 V CB -1.186 30.610 31.823 -0.046 0.000 0.654 203 V HN 0.530 nan 8.190 nan 0.000 0.451 204 A N -0.242 122.576 122.820 -0.002 0.000 1.877 204 A HA -0.216 4.121 4.320 0.027 0.000 0.216 204 A C 2.168 179.760 177.584 0.013 0.000 1.186 204 A CA 2.194 54.235 52.037 0.007 0.000 0.620 204 A CB -0.608 18.401 19.000 0.014 0.000 0.822 204 A HN 0.458 nan 8.150 nan 0.000 0.443 205 L N -0.293 120.943 121.223 0.022 0.000 2.017 205 L HA -0.090 4.267 4.340 0.027 0.000 0.208 205 L C 2.298 179.179 176.870 0.018 0.000 1.073 205 L CA 1.670 56.525 54.840 0.026 0.000 0.745 205 L CB -0.513 41.570 42.059 0.039 0.000 0.894 205 L HN 0.400 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 -0.233 4.123 4.340 0.027 0.000 0.208 206 L C 2.542 179.414 176.870 0.003 0.000 1.077 206 L CA 1.544 56.389 54.840 0.008 0.000 0.747 206 L CB -0.536 41.524 42.059 0.002 0.000 0.896 206 L HN 0.356 nan 8.230 nan 0.000 0.432 207 E N 0.409 120.609 120.200 0.001 0.000 2.085 207 E HA -0.261 4.105 4.350 0.027 0.000 0.194 207 E C 1.816 178.417 176.600 0.002 0.000 0.994 207 E CA 1.593 57.993 56.400 -0.000 0.000 0.801 207 E CB 0.072 29.771 29.700 -0.002 0.000 0.743 207 E HN 0.451 nan 8.360 nan 0.000 0.453 208 K N -0.069 120.334 120.400 0.005 0.000 2.444 208 K HA 0.161 4.497 4.320 0.027 0.000 0.193 208 K C 0.081 176.684 176.600 0.005 0.000 1.024 208 K CA 0.025 56.315 56.287 0.006 0.000 1.077 208 K CB 0.735 33.240 32.500 0.007 0.000 0.833 208 K HN -0.205 nan 8.250 nan 0.000 0.517 209 S N 0.319 116.022 115.700 0.005 0.000 2.601 209 S HA 0.464 4.950 4.470 0.027 0.000 0.271 209 S C 0.847 175.448 174.600 0.002 0.000 1.305 209 S CA -0.409 57.793 58.200 0.004 0.000 1.022 209 S CB 1.619 64.822 63.200 0.005 0.000 0.940 209 S HN 0.404 nan 8.310 nan 0.000 0.525 210 A N 1.903 124.724 122.820 0.001 0.000 1.901 210 A HA 0.246 4.583 4.320 0.027 0.000 0.210 210 A C 0.999 178.583 177.584 0.000 0.000 1.208 210 A CA 0.660 52.697 52.037 0.001 0.000 0.644 210 A CB -0.170 18.831 19.000 0.001 0.000 0.863 210 A HN 0.972 nan 8.150 nan 0.000 0.454 211 S N -0.126 115.572 115.700 -0.002 0.000 2.383 211 S HA 0.573 5.059 4.470 0.027 0.000 0.196 211 S C -3.360 171.234 174.600 -0.009 0.000 1.364 211 S CA -1.408 56.789 58.200 -0.005 0.000 1.212 211 S CB 1.305 64.501 63.200 -0.006 0.000 1.171 211 S HN 0.045 nan 8.310 nan 0.000 0.456 212 P HA 0.472 nan 4.420 nan 0.000 0.278 212 P C -0.746 176.542 177.300 -0.020 0.000 1.238 212 P CA -0.489 62.605 63.100 -0.009 0.000 0.794 212 P CB 1.125 32.824 31.700 -0.002 0.000 0.955 213 V N 3.377 123.273 119.914 -0.031 0.000 2.769 213 V HA 0.447 4.583 4.120 0.027 0.000 0.312 213 V C 0.105 176.168 176.094 -0.052 0.000 1.061 213 V CA -0.686 61.583 62.300 -0.051 0.000 0.931 213 V CB 1.945 33.725 31.823 -0.073 0.000 1.010 213 V HN 0.482 nan 8.190 nan 0.000 0.433 214 M N 4.193 123.748 119.600 -0.076 0.000 2.238 214 M HA 0.557 5.053 4.480 0.027 0.000 0.350 214 M C -1.205 175.037 176.300 -0.096 0.000 1.138 214 M CA -0.555 54.697 55.300 -0.080 0.000 1.040 214 M CB 1.595 34.124 32.600 -0.119 0.000 1.639 214 M HN 0.490 nan 8.290 nan 0.000 0.451 215 L N 5.517 126.711 121.223 -0.049 0.000 2.349 215 L HA 0.614 4.970 4.340 0.027 0.000 0.278 215 L C -1.654 175.216 176.870 -0.001 0.000 0.996 215 L CA -0.234 54.591 54.840 -0.026 0.000 0.825 215 L CB 1.173 43.235 42.059 0.005 0.000 1.243 215 L HN 0.626 nan 8.230 nan 0.000 0.412 216 L N 5.033 126.251 121.223 -0.009 0.000 2.309 216 L HA 0.790 5.146 4.340 0.027 0.000 0.282 216 L C 0.684 177.562 176.870 0.014 0.000 1.036 216 L CA -0.542 54.308 54.840 0.017 0.000 0.806 216 L CB 1.472 43.554 42.059 0.038 0.000 1.220 216 L HN 0.768 nan 8.230 nan 0.000 0.429 217 G N -0.052 108.755 108.800 0.013 0.000 2.597 217 G HA2 0.352 4.328 3.960 0.027 0.000 0.317 217 G HA3 0.352 4.328 3.960 0.027 0.000 0.317 217 G C 0.613 175.554 174.900 0.069 0.000 1.230 217 G CA -0.113 44.960 45.100 -0.045 0.000 0.996 217 G HN 0.644 nan 8.290 nan 0.000 0.490 218 S N -1.266 114.432 115.700 -0.003 0.000 2.607 218 S HA 0.032 4.518 4.470 0.027 0.000 0.224 218 S C 1.327 176.049 174.600 0.204 0.000 0.969 218 S CA 0.479 58.761 58.200 0.135 0.000 0.927 218 S CB 0.000 63.158 63.200 -0.070 0.000 0.772 218 S HN 0.509 nan 8.310 nan 0.000 0.533 219 K N 0.160 120.602 120.400 0.071 0.000 2.404 219 K HA 0.296 4.632 4.320 0.027 0.000 0.194 219 K C 1.245 177.820 176.600 -0.041 0.000 1.023 219 K CA -0.156 56.136 56.287 0.008 0.000 1.094 219 K CB -0.062 32.420 32.500 -0.029 0.000 0.841 219 K HN 0.217 nan 8.250 nan 0.000 0.523 220 L N 1.519 122.724 121.223 -0.031 0.000 2.046 220 L HA -0.151 4.205 4.340 0.027 0.000 0.208 220 L C 2.340 179.024 176.870 -0.310 0.000 1.077 220 L CA 1.744 56.508 54.840 -0.128 0.000 0.747 220 L CB -0.245 41.791 42.059 -0.038 0.000 0.896 220 L HN 0.079 nan 8.230 nan 0.000 0.432 221 R N -1.005 119.132 120.500 -0.605 0.000 2.062 221 R HA -0.086 4.270 4.340 0.027 0.000 0.229 221 R C 2.209 178.353 176.300 -0.261 0.000 1.128 221 R CA 1.205 56.969 56.100 -0.560 0.000 0.960 221 R CB -0.361 29.453 30.300 -0.810 0.000 0.855 221 R HN 0.425 nan 8.270 nan 0.000 0.432 222 A N 0.722 123.433 122.820 -0.182 0.000 1.940 222 A HA -0.102 4.234 4.320 0.027 0.000 0.219 222 A C 2.191 179.720 177.584 -0.093 0.000 1.176 222 A CA 1.686 53.658 52.037 -0.108 0.000 0.631 222 A CB -0.684 18.267 19.000 -0.081 0.000 0.814 222 A HN 0.516 nan 8.150 nan 0.000 0.446 223 A N -0.934 121.831 122.820 -0.091 0.000 2.235 223 A HA 0.152 4.488 4.320 0.027 0.000 0.208 223 A C 0.980 178.531 177.584 -0.056 0.000 1.172 223 A CA 0.896 52.898 52.037 -0.058 0.000 0.786 223 A CB -0.709 18.270 19.000 -0.036 0.000 0.804 223 A HN 0.828 nan 8.150 nan 0.000 0.479 224 N N -2.213 116.433 118.700 -0.089 0.000 2.714 224 N HA -0.218 4.538 4.740 0.027 0.000 0.253 224 N C 0.209 175.683 175.510 -0.060 0.000 1.024 224 N CA 1.028 54.029 53.050 -0.082 0.000 0.726 224 N CB -1.311 37.143 38.487 -0.055 0.000 0.908 224 N HN 0.630 nan 8.380 nan 0.000 0.542 225 A N -0.224 122.552 122.820 -0.074 0.000 2.589 225 A HA 0.379 4.715 4.320 0.027 0.000 0.283 225 A C 1.653 179.220 177.584 -0.029 0.000 1.187 225 A CA -0.325 51.693 52.037 -0.031 0.000 0.957 225 A CB 0.163 19.163 19.000 -0.002 0.000 1.175 225 A HN 0.305 nan 8.150 nan 0.000 0.532 226 L N -0.671 120.513 121.223 -0.066 0.000 1.988 226 L HA -0.152 4.204 4.340 0.027 0.000 0.207 226 L C 3.035 179.902 176.870 -0.005 0.000 1.071 226 L CA 1.596 56.411 54.840 -0.042 0.000 0.744 226 L CB -0.680 41.324 42.059 -0.092 0.000 0.893 226 L HN 0.440 nan 8.230 nan 0.000 0.433 227 A N 0.159 122.965 122.820 -0.023 0.000 1.902 227 A HA -0.169 4.168 4.320 0.027 0.000 0.217 227 A C 2.512 180.100 177.584 0.007 0.000 1.181 227 A CA 1.799 53.827 52.037 -0.015 0.000 0.623 227 A CB -0.732 18.254 19.000 -0.023 0.000 0.818 227 A HN 0.422 nan 8.150 nan 0.000 0.443 228 A N -1.232 121.593 122.820 0.009 0.000 1.972 228 A HA -0.074 4.262 4.320 0.027 0.000 0.219 228 A C 2.280 179.886 177.584 0.037 0.000 1.169 228 A CA 2.244 54.289 52.037 0.015 0.000 0.635 228 A CB -1.146 17.861 19.000 0.013 0.000 0.810 228 A HN 0.426 nan 8.150 nan 0.000 0.446 229 T N 0.152 114.744 114.554 0.064 0.000 2.777 229 T HA -0.138 4.228 4.350 0.027 0.000 0.266 229 T C 1.843 176.646 174.700 0.172 0.000 1.040 229 T CA 1.683 63.848 62.100 0.109 0.000 1.141 229 T CB -0.242 68.711 68.868 0.142 0.000 0.868 229 T HN 0.907 nan 8.240 nan 0.000 0.444 230 E N 0.428 120.732 120.200 0.174 0.000 2.285 230 E HA -0.058 4.309 4.350 0.027 0.000 0.194 230 E C 1.807 178.486 176.600 0.132 0.000 0.997 230 E CA 1.028 57.535 56.400 0.177 0.000 0.845 230 E CB -0.328 29.333 29.700 -0.065 0.000 0.782 230 E HN 0.262 nan 8.360 nan 0.000 0.491 231 T N 1.361 115.962 114.554 0.079 0.000 2.777 231 T HA -0.108 4.258 4.350 0.027 0.000 0.266 231 T C 1.668 176.401 174.700 0.056 0.000 1.040 231 T CA 1.121 63.256 62.100 0.057 0.000 1.141 231 T CB -0.229 68.652 68.868 0.022 0.000 0.868 231 T HN 0.134 nan 8.240 nan 0.000 0.444 232 L N 1.513 122.763 121.223 0.044 0.000 2.083 232 L HA 0.099 4.455 4.340 0.027 0.000 0.209 232 L C 2.560 179.461 176.870 0.051 0.000 1.083 232 L CA 1.769 56.622 54.840 0.022 0.000 0.752 232 L CB -0.923 41.134 42.059 -0.003 0.000 0.899 232 L HN 0.216 nan 8.230 nan 0.000 0.433 233 A N -0.935 121.942 122.820 0.094 0.000 1.972 233 A HA -0.196 4.140 4.320 0.027 0.000 0.219 233 A C 1.957 179.660 177.584 0.199 0.000 1.169 233 A CA 1.764 53.873 52.037 0.119 0.000 0.635 233 A CB -0.724 18.352 19.000 0.126 0.000 0.810 233 A HN 0.533 nan 8.150 nan 0.000 0.446 234 D N -0.484 120.043 120.400 0.212 0.000 2.144 234 D HA -0.115 4.541 4.640 0.027 0.000 0.200 234 D C 1.923 178.283 176.300 0.101 0.000 0.978 234 D CA 1.573 55.684 54.000 0.185 0.000 0.833 234 D CB -0.107 40.778 40.800 0.142 0.000 0.961 234 D HN 0.443 nan 8.370 nan 0.000 0.470 235 K N 0.566 121.006 120.400 0.068 0.000 2.062 235 K HA 0.052 4.388 4.320 0.027 0.000 0.205 235 K C 2.110 178.729 176.600 0.031 0.000 1.051 235 K CA 0.578 56.884 56.287 0.033 0.000 0.941 235 K CB -0.322 32.183 32.500 0.008 0.000 0.719 235 K HN 0.056 nan 8.250 nan 0.000 0.440 236 L N 0.319 121.564 121.223 0.036 0.000 2.217 236 L HA -0.086 4.270 4.340 0.027 0.000 0.211 236 L C 0.685 177.580 176.870 0.041 0.000 1.107 236 L CA 0.829 55.685 54.840 0.027 0.000 0.783 236 L CB -0.094 41.975 42.059 0.017 0.000 0.919 236 L HN 0.373 nan 8.230 nan 0.000 0.442 237 Q N -1.584 118.259 119.800 0.071 0.000 2.305 237 Q HA -0.254 4.102 4.340 0.027 0.000 0.203 237 Q C 0.624 176.669 176.000 0.076 0.000 0.663 237 Q CA 1.271 57.123 55.803 0.082 0.000 1.389 237 Q CB -2.706 26.062 28.738 0.051 0.000 1.566 237 Q HN 0.714 nan 8.270 nan 0.000 0.755 238 C N -1.093 118.240 119.300 0.055 0.000 2.480 238 C HA 0.834 5.310 4.460 0.027 0.000 0.344 238 C C 1.250 176.253 174.990 0.022 0.000 1.380 238 C CA -0.270 58.764 59.018 0.027 0.000 2.386 238 C CB 0.501 28.243 27.740 0.003 0.000 2.210 238 C HN 0.504 nan 8.230 nan 0.000 0.640 239 A N 0.825 123.639 122.820 -0.009 0.000 2.477 239 A HA 0.535 4.871 4.320 0.027 0.000 0.246 239 A C -0.156 177.368 177.584 -0.099 0.000 1.078 239 A CA -0.144 51.870 52.037 -0.038 0.000 0.770 239 A CB -0.265 18.703 19.000 -0.053 0.000 1.011 239 A HN 1.181 nan 8.150 nan 0.000 0.494 240 V N 3.237 123.059 119.914 -0.153 0.000 2.448 240 V HA 0.615 4.751 4.120 0.027 0.000 0.295 240 V C 0.416 176.339 176.094 -0.286 0.000 1.025 240 V CA 0.007 62.124 62.300 -0.306 0.000 0.859 240 V CB 1.462 32.876 31.823 -0.682 0.000 0.988 240 V HN 1.126 nan 8.190 nan 0.000 0.431 241 T N 2.629 117.048 114.554 -0.226 0.000 2.916 241 T HA 0.866 5.232 4.350 0.027 0.000 0.292 241 T C -0.609 174.057 174.700 -0.057 0.000 1.055 241 T CA -0.736 61.263 62.100 -0.168 0.000 1.009 241 T CB 2.073 70.879 68.868 -0.102 0.000 1.118 241 T HN 0.616 nan 8.240 nan 0.000 0.497 242 I N -0.792 119.792 120.570 0.024 0.000 2.603 242 I HA 0.605 4.791 4.170 0.027 0.000 0.300 242 I C -0.055 176.071 176.117 0.016 0.000 1.017 242 I CA -1.518 59.809 61.300 0.045 0.000 1.098 242 I CB 1.779 39.841 38.000 0.104 0.000 1.279 242 I HN 0.537 nan 8.210 nan 0.000 0.437 243 M N 3.131 122.701 119.600 -0.049 0.000 2.228 243 M HA 0.335 4.831 4.480 0.027 0.000 0.326 243 M C 1.498 177.566 176.300 -0.386 0.000 1.122 243 M CA -0.202 54.997 55.300 -0.169 0.000 1.161 243 M CB 1.387 33.882 32.600 -0.176 0.000 1.437 243 M HN 0.961 nan 8.290 nan 0.000 0.465 244 A N 1.801 124.190 122.820 -0.718 0.000 1.903 244 A HA -0.186 4.150 4.320 0.027 0.000 0.219 244 A C 2.022 179.150 177.584 -0.759 0.000 1.191 244 A CA 2.546 54.008 52.037 -0.957 0.000 0.638 244 A CB -1.082 16.707 19.000 -2.019 0.000 0.823 244 A HN 0.954 nan 8.150 nan 0.000 0.451 245 A N -1.308 121.079 122.820 -0.720 0.000 2.235 245 A HA 0.457 4.793 4.320 0.027 0.000 0.208 245 A C 1.771 178.985 177.584 -0.617 0.000 1.172 245 A CA 1.238 52.905 52.037 -0.617 0.000 0.786 245 A CB -0.556 18.139 19.000 -0.508 0.000 0.804 245 A HN 1.143 nan 8.150 nan 0.000 0.479 246 A N -0.560 121.914 122.820 -0.577 0.000 2.423 246 A HA 0.326 4.662 4.320 0.027 0.000 0.246 246 A C 0.796 177.964 177.584 -0.694 0.000 1.278 246 A CA -0.212 51.392 52.037 -0.722 0.000 0.903 246 A CB -0.344 18.527 19.000 -0.215 0.000 0.997 246 A HN 0.354 nan 8.150 nan 0.000 0.510 247 K N 0.379 120.447 120.400 -0.553 0.000 2.453 247 K HA 0.305 4.641 4.320 0.027 0.000 0.280 247 K C 1.206 177.612 176.600 -0.323 0.000 1.045 247 K CA 1.253 57.343 56.287 -0.327 0.000 1.059 247 K CB -0.203 32.145 32.500 -0.253 0.000 0.901 247 K HN 0.777 nan 8.250 nan 0.000 0.475 248 G N 3.952 112.672 108.800 -0.133 0.000 2.176 248 G HA2 -0.220 3.756 3.960 0.027 0.000 0.232 248 G HA3 -0.220 3.756 3.960 0.027 0.000 0.232 248 G C 0.291 175.310 174.900 0.198 0.000 0.986 248 G CA 0.016 45.104 45.100 -0.020 0.000 0.643 248 G HN 0.572 nan 8.290 nan 0.000 0.522 249 F N -0.253 119.700 119.950 0.005 0.000 2.811 249 F HA 0.568 5.113 4.527 0.030 0.000 0.301 249 F C 0.759 176.631 175.800 0.120 0.000 1.151 249 F CA -0.732 57.289 58.000 0.035 0.000 1.412 249 F CB -0.328 38.688 39.000 0.028 0.000 1.113 249 F HN 0.169 nan 8.300 nan 0.000 0.579 250 F N 1.482 121.480 119.950 0.080 0.000 2.596 250 F HA 0.474 5.017 4.527 0.026 0.000 0.311 250 F C -2.609 173.099 175.800 -0.153 0.000 1.116 250 F CA -2.820 55.168 58.000 -0.021 0.000 0.957 250 F CB 1.657 40.669 39.000 0.021 0.000 1.250 250 F HN -0.323 nan 8.300 nan 0.000 0.444 251 P HA 0.115 nan 4.420 nan 0.000 0.270 251 P C -0.334 176.729 177.300 -0.394 0.000 1.242 251 P CA 0.254 63.098 63.100 -0.428 0.000 0.768 251 P CB 0.757 32.224 31.700 -0.388 0.000 0.820 252 E N 1.552 121.476 120.200 -0.460 0.000 2.478 252 E HA -0.141 4.225 4.350 0.027 0.000 0.198 252 E C 0.741 177.264 176.600 -0.128 0.000 1.046 252 E CA 0.556 56.566 56.400 -0.649 0.000 0.870 252 E CB -0.101 29.214 29.700 -0.642 0.000 0.818 252 E HN 0.525 nan 8.360 nan 0.000 0.527 253 D N 0.277 120.625 120.400 -0.087 0.000 2.178 253 D HA -0.108 4.548 4.640 0.027 0.000 0.201 253 D C 0.600 176.938 176.300 0.064 0.000 0.980 253 D CA 0.725 54.718 54.000 -0.011 0.000 0.842 253 D CB 0.005 40.773 40.800 -0.054 0.000 0.948 253 D HN 0.156 nan 8.370 nan 0.000 0.472 254 H N -1.071 117.999 119.070 0.000 0.000 2.897 254 H HA 0.190 4.762 4.556 0.027 0.000 0.347 254 H C 1.190 176.627 175.328 0.182 0.000 1.068 254 H CA 0.233 56.329 56.048 0.079 0.000 1.426 254 H CB 1.145 30.977 29.762 0.117 0.000 1.410 254 H HN 0.028 nan 8.280 nan 0.000 0.597 255 A N 3.379 126.176 122.820 -0.038 0.000 2.019 255 A HA -0.109 4.227 4.320 0.027 0.000 0.219 255 A C 2.263 180.009 177.584 0.269 0.000 1.164 255 A CA 1.540 53.626 52.037 0.081 0.000 0.644 255 A CB -0.724 18.251 19.000 -0.043 0.000 0.805 255 A HN 0.846 nan 8.150 nan 0.000 0.449 256 G N -2.203 106.950 108.800 0.588 0.000 3.042 256 G HA2 0.254 4.231 3.960 0.027 0.000 0.212 256 G HA3 0.254 4.231 3.960 0.027 0.000 0.212 256 G C 0.298 175.396 174.900 0.330 0.000 1.166 256 G CA -0.346 45.007 45.100 0.421 0.000 0.767 256 G HN 0.397 nan 8.290 nan 0.000 0.546 257 F N 1.662 121.802 119.950 0.316 0.000 2.543 257 F HA 0.350 4.892 4.527 0.027 0.000 0.375 257 F C 1.213 177.081 175.800 0.114 0.000 1.075 257 F CA -0.365 57.760 58.000 0.209 0.000 1.225 257 F CB 0.882 40.072 39.000 0.316 0.000 1.099 257 F HN -0.140 nan 8.300 nan 0.000 0.561 258 R N 4.033 124.144 120.500 -0.648 0.000 2.509 258 R HA 0.349 4.705 4.340 0.027 0.000 0.297 258 R C 0.624 176.560 176.300 -0.607 0.000 0.951 258 R CA 0.363 56.185 56.100 -0.463 0.000 1.103 258 R CB 0.280 30.449 30.300 -0.219 0.000 1.283 258 R HN 0.999 nan 8.270 nan 0.000 0.534 259 G N 1.134 109.207 108.800 -1.212 0.000 2.416 259 G HA2 -0.211 3.765 3.960 0.027 0.000 0.203 259 G HA3 -0.211 3.765 3.960 0.027 0.000 0.203 259 G C -1.518 173.230 174.900 -0.255 0.000 1.227 259 G CA -0.480 44.213 45.100 -0.678 0.000 1.041 259 G HN 0.118 nan 8.290 nan 0.000 0.546 260 L N 0.626 121.830 121.223 -0.030 0.000 2.275 260 L HA 0.780 5.136 4.340 0.027 0.000 0.288 260 L C -0.313 176.646 176.870 0.148 0.000 1.046 260 L CA -1.023 53.860 54.840 0.071 0.000 0.805 260 L CB 0.934 43.057 42.059 0.107 0.000 1.193 260 L HN 0.822 nan 8.230 nan 0.000 0.426 261 Y N 5.917 126.243 120.300 0.044 0.000 2.353 261 Y HA 0.449 5.015 4.550 0.027 0.000 0.340 261 Y C -1.168 174.862 175.900 0.216 0.000 0.972 261 Y CA -0.281 57.884 58.100 0.108 0.000 1.157 261 Y CB 0.854 39.360 38.460 0.077 0.000 1.157 261 Y HN 0.779 nan 8.280 nan 0.000 0.495 262 W N 7.874 128.880 121.300 -0.489 0.000 1.169 262 W HA 0.401 5.078 4.660 0.028 0.000 0.318 262 W C 0.210 176.536 176.519 -0.320 0.000 0.906 262 W CA -0.556 56.554 57.345 -0.392 0.000 1.379 262 W CB 0.512 29.876 29.460 -0.160 0.000 1.491 262 W HN 0.984 nan 8.180 nan 0.000 0.459 263 G N 2.607 111.197 108.800 -0.350 0.000 2.651 263 G HA2 -0.435 3.541 3.960 0.027 0.000 0.315 263 G HA3 -0.435 3.541 3.960 0.027 0.000 0.315 263 G C 1.091 175.962 174.900 -0.049 0.000 1.258 263 G CA 1.329 46.346 45.100 -0.138 0.000 1.002 263 G HN 0.596 nan 8.290 nan 0.000 0.551 264 E N 0.457 120.631 120.200 -0.043 0.000 2.482 264 E HA 0.161 4.527 4.350 0.027 0.000 0.196 264 E C 1.988 178.569 176.600 -0.033 0.000 1.047 264 E CA 1.346 57.732 56.400 -0.024 0.000 0.869 264 E CB -0.054 29.628 29.700 -0.031 0.000 0.836 264 E HN 1.186 nan 8.360 nan 0.000 0.520 265 V N -1.542 118.333 119.914 -0.064 0.000 3.342 265 V HA 0.229 4.365 4.120 0.027 0.000 0.322 265 V C 0.430 176.556 176.094 0.054 0.000 1.370 265 V CA -0.718 61.557 62.300 -0.042 0.000 1.170 265 V CB -0.025 31.713 31.823 -0.142 0.000 1.101 265 V HN 0.005 nan 8.190 nan 0.000 0.442 266 S N 2.379 118.121 115.700 0.069 0.000 2.580 266 S HA 0.194 4.680 4.470 0.027 0.000 0.266 266 S C 0.383 175.038 174.600 0.093 0.000 1.354 266 S CA -0.174 58.094 58.200 0.114 0.000 1.008 266 S CB 0.020 63.302 63.200 0.136 0.000 0.898 266 S HN 0.694 nan 8.310 nan 0.000 0.555 267 N N 2.676 121.429 118.700 0.089 0.000 2.441 267 N HA 0.161 4.917 4.740 0.027 0.000 0.251 267 N C -2.537 173.005 175.510 0.052 0.000 1.242 267 N CA -1.194 51.892 53.050 0.060 0.000 0.898 267 N CB -0.401 38.108 38.487 0.036 0.000 1.100 267 N HN 0.315 nan 8.380 nan 0.000 0.443 268 P HA -0.029 nan 4.420 nan 0.000 0.263 268 P C 0.949 178.269 177.300 0.033 0.000 1.175 268 P CA 0.681 63.803 63.100 0.036 0.000 0.761 268 P CB 0.245 31.962 31.700 0.028 0.000 0.794 269 G N 1.726 110.549 108.800 0.038 0.000 2.347 269 G HA2 -0.348 3.628 3.960 0.027 0.000 0.247 269 G HA3 -0.348 3.628 3.960 0.027 0.000 0.247 269 G C 1.004 175.929 174.900 0.042 0.000 1.037 269 G CA 0.290 45.410 45.100 0.033 0.000 0.622 269 G HN 0.401 nan 8.290 nan 0.000 0.521 270 V N 1.115 121.062 119.914 0.056 0.000 2.358 270 V HA -0.200 3.937 4.120 0.027 0.000 0.246 270 V C 2.672 178.853 176.094 0.145 0.000 1.047 270 V CA 2.984 65.329 62.300 0.074 0.000 1.035 270 V CB -0.467 31.406 31.823 0.085 0.000 0.658 270 V HN 0.644 nan 8.190 nan 0.000 0.452 271 Q N 0.030 119.955 119.800 0.207 0.000 2.045 271 Q HA -0.287 4.069 4.340 0.027 0.000 0.206 271 Q C 2.414 178.505 176.000 0.151 0.000 0.991 271 Q CA 2.311 58.286 55.803 0.286 0.000 0.851 271 Q CB -0.232 28.641 28.738 0.224 0.000 0.911 271 Q HN 0.660 nan 8.270 nan 0.000 0.418 272 E N 0.127 120.381 120.200 0.090 0.000 2.085 272 E HA -0.210 4.156 4.350 0.027 0.000 0.194 272 E C 2.152 178.762 176.600 0.016 0.000 0.994 272 E CA 1.057 57.486 56.400 0.048 0.000 0.801 272 E CB -0.194 29.528 29.700 0.036 0.000 0.743 272 E HN 0.457 nan 8.360 nan 0.000 0.453 273 L N 0.439 121.667 121.223 0.007 0.000 1.997 273 L HA -0.235 4.121 4.340 0.027 0.000 0.216 273 L C 2.769 179.600 176.870 -0.064 0.000 1.074 273 L CA 2.028 56.853 54.840 -0.025 0.000 0.763 273 L CB -0.493 41.547 42.059 -0.031 0.000 0.890 273 L HN 0.202 nan 8.230 nan 0.000 0.434 274 V N -2.912 116.930 119.914 -0.120 0.000 2.500 274 V HA -0.137 3.999 4.120 0.027 0.000 0.243 274 V C 2.082 178.074 176.094 -0.171 0.000 1.039 274 V CA 1.381 63.548 62.300 -0.222 0.000 1.053 274 V CB -0.181 31.338 31.823 -0.507 0.000 0.695 274 V HN 0.367 nan 8.190 nan 0.000 0.463 275 E N 0.204 120.337 120.200 -0.110 0.000 2.204 275 E HA -0.156 4.210 4.350 0.027 0.000 0.195 275 E C 1.958 178.546 176.600 -0.019 0.000 0.990 275 E CA 1.722 58.106 56.400 -0.027 0.000 0.821 275 E CB -0.118 29.619 29.700 0.061 0.000 0.750 275 E HN 0.670 nan 8.360 nan 0.000 0.477 276 T N -1.145 113.396 114.554 -0.023 0.000 3.054 276 T HA 0.132 4.498 4.350 0.027 0.000 0.255 276 T C 0.257 174.945 174.700 -0.020 0.000 1.035 276 T CA -0.002 62.090 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 0.024 nan 8.240 nan 0.000 0.533 277 S N 1.391 117.070 115.700 -0.034 0.000 2.552 277 S HA -0.015 4.471 4.470 0.027 0.000 0.289 277 S C 1.269 175.857 174.600 -0.019 0.000 1.304 277 S CA -0.290 57.892 58.200 -0.030 0.000 1.063 277 S CB 0.483 63.657 63.200 -0.044 0.000 0.848 277 S HN 0.319 nan 8.310 nan 0.000 0.499 278 D N 3.138 123.531 120.400 -0.013 0.000 2.149 278 D HA -0.019 4.638 4.640 0.027 0.000 0.198 278 D C 0.353 176.652 176.300 -0.003 0.000 0.990 278 D CA 1.555 55.551 54.000 -0.006 0.000 0.839 278 D CB 0.006 40.803 40.800 -0.003 0.000 0.948 278 D HN 0.685 nan 8.370 nan 0.000 0.460 279 A N 0.128 122.946 122.820 -0.003 0.000 2.684 279 A HA 0.392 4.728 4.320 0.027 0.000 0.289 279 A C -1.314 176.274 177.584 0.005 0.000 1.139 279 A CA -0.618 51.423 52.037 0.007 0.000 0.793 279 A CB 0.380 19.388 19.000 0.014 0.000 1.334 279 A HN 0.096 nan 8.150 nan 0.000 0.408 280 L N 3.003 124.229 121.223 0.005 0.000 2.295 280 L HA 0.417 4.773 4.340 0.027 0.000 0.288 280 L C -0.290 176.600 176.870 0.033 0.000 1.079 280 L CA -0.167 54.674 54.840 0.001 0.000 0.830 280 L CB 0.569 42.620 42.059 -0.013 0.000 1.200 280 L HN 0.649 nan 8.230 nan 0.000 0.438 281 L N 6.141 127.382 121.223 0.031 0.000 2.385 281 L HA 0.191 4.547 4.340 0.027 0.000 0.285 281 L C -0.471 176.437 176.870 0.063 0.000 1.125 281 L CA -0.210 54.667 54.840 0.061 0.000 0.890 281 L CB 0.292 42.383 42.059 0.053 0.000 1.251 281 L HN 0.752 nan 8.230 nan 0.000 0.445 282 C N 6.802 126.160 119.300 0.095 0.000 2.223 282 C HA 0.486 4.962 4.460 0.027 0.000 0.324 282 C C 0.184 175.233 174.990 0.098 0.000 1.196 282 C CA -0.749 58.338 59.018 0.116 0.000 1.628 282 C CB -0.905 26.958 27.740 0.204 0.000 2.229 282 C HN 0.626 nan 8.230 nan 0.000 0.486 283 I N 6.322 126.931 120.570 0.064 0.000 2.355 283 I HA 0.437 4.623 4.170 0.027 0.000 0.288 283 I C 0.999 177.131 176.117 0.024 0.000 0.999 283 I CA -0.054 61.282 61.300 0.060 0.000 1.163 283 I CB 1.304 39.348 38.000 0.073 0.000 1.316 283 I HN 0.859 nan 8.210 nan 0.000 0.454 284 A N 5.793 128.619 122.820 0.010 0.000 2.791 284 A HA -0.117 4.219 4.320 0.027 0.000 0.292 284 A C -2.394 175.140 177.584 -0.083 0.000 1.487 284 A CA -0.205 51.819 52.037 -0.022 0.000 0.760 284 A CB -1.977 17.023 19.000 -0.001 0.000 1.031 284 A HN 0.487 nan 8.150 nan 0.000 0.503 285 P HA 0.479 nan 4.420 nan 0.000 0.276 285 P C -0.344 176.706 177.300 -0.416 0.000 1.244 285 P CA -0.167 62.683 63.100 -0.417 0.000 0.801 285 P CB 1.549 32.767 31.700 -0.803 0.000 1.006 286 V N 3.069 122.713 119.914 -0.451 0.000 2.325 286 V HA 0.246 4.382 4.120 0.027 0.000 0.280 286 V C -0.383 175.522 176.094 -0.314 0.000 1.016 286 V CA -0.329 61.798 62.300 -0.288 0.000 0.818 286 V CB 0.080 31.810 31.823 -0.155 0.000 1.019 286 V HN 0.304 nan 8.190 nan 0.000 0.434 287 F N 5.361 125.292 119.950 -0.033 0.000 2.368 287 F HA 0.496 5.039 4.527 0.028 0.000 0.362 287 F C 0.668 176.360 175.800 -0.179 0.000 1.137 287 F CA -0.745 57.161 58.000 -0.158 0.000 1.161 287 F CB 0.466 39.290 39.000 -0.293 0.000 1.265 287 F HN 0.697 nan 8.300 nan 0.000 0.530 288 N N 0.162 118.843 118.700 -0.031 0.000 3.091 288 N HA 0.247 5.003 4.740 0.027 0.000 0.329 288 N C 0.451 175.613 175.510 -0.580 0.000 1.430 288 N CA -0.749 52.225 53.050 -0.127 0.000 0.755 288 N CB 0.312 38.760 38.487 -0.066 0.000 1.626 288 N HN 0.228 nan 8.380 nan 0.000 0.614 289 D N -1.460 118.500 120.400 -0.732 0.000 2.219 289 D HA -0.186 4.470 4.640 0.027 0.000 0.205 289 D C 0.876 177.004 176.300 -0.286 0.000 0.970 289 D CA 1.358 54.737 54.000 -1.036 0.000 0.851 289 D CB -0.339 40.104 40.800 -0.595 0.000 0.943 289 D HN 0.433 nan 8.370 nan 0.000 0.488 290 Y N 1.799 122.016 120.300 -0.138 0.000 2.206 290 Y HA -0.046 4.520 4.550 0.027 0.000 0.292 290 Y C 3.009 179.165 175.900 0.425 0.000 1.123 290 Y CA 0.738 58.998 58.100 0.268 0.000 1.142 290 Y CB -0.851 37.824 38.460 0.357 0.000 1.006 290 Y HN 0.127 nan 8.280 nan 0.000 0.518 291 S N -1.022 114.860 115.700 0.302 0.000 2.406 291 S HA -0.118 4.368 4.470 0.027 0.000 0.228 291 S C 1.740 176.512 174.600 0.287 0.000 1.020 291 S CA 1.392 59.706 58.200 0.190 0.000 0.965 291 S CB -1.155 62.017 63.200 -0.047 0.000 0.798 291 S HN 0.500 nan 8.310 nan 0.000 0.488 292 T N -0.707 113.915 114.554 0.113 0.000 3.169 292 T HA 0.331 4.697 4.350 0.027 0.000 0.250 292 T C 0.467 175.194 174.700 0.044 0.000 1.111 292 T CA 0.094 62.249 62.100 0.093 0.000 1.010 292 T CB -0.753 68.091 68.868 -0.040 0.000 0.984 292 T HN 0.593 nan 8.240 nan 0.000 0.537 293 V N 1.159 121.116 119.914 0.073 0.000 5.981 293 V HA -0.099 4.037 4.120 0.027 0.000 0.233 293 V C 1.420 177.390 176.094 -0.207 0.000 0.653 293 V CA 0.530 62.786 62.300 -0.073 0.000 0.677 293 V CB -2.737 29.048 31.823 -0.063 0.000 0.632 293 V HN 1.228 nan 8.190 nan 0.000 0.464 294 G N 1.680 110.257 108.800 -0.372 0.000 2.305 294 G HA2 -0.286 3.690 3.960 0.027 0.000 0.287 294 G HA3 -0.286 3.690 3.960 0.027 0.000 0.287 294 G C 0.298 175.078 174.900 -0.200 0.000 1.036 294 G CA 0.828 45.687 45.100 -0.403 0.000 0.887 294 G HN 2.142 nan 8.290 nan 0.000 0.505 295 W N -2.660 118.681 121.300 0.068 0.000 2.869 295 W HA -0.329 4.346 4.660 0.026 0.000 0.285 295 W C 1.846 178.469 176.519 0.173 0.000 1.098 295 W CA 0.999 58.427 57.345 0.138 0.000 0.571 295 W CB -2.101 27.450 29.460 0.151 0.000 2.131 295 W HN 1.105 nan 8.180 nan 0.000 1.367 296 S N -0.791 115.049 115.700 0.233 0.000 2.503 296 S HA 0.526 5.012 4.470 0.027 0.000 0.217 296 S C 0.901 175.618 174.600 0.196 0.000 0.999 296 S CA 0.351 58.660 58.200 0.182 0.000 0.914 296 S CB 0.583 63.836 63.200 0.088 0.000 0.782 296 S HN 0.708 nan 8.310 nan 0.000 0.520 297 A N 0.953 123.908 122.820 0.226 0.000 3.030 297 A HA 0.556 4.892 4.320 0.027 0.000 0.335 297 A C -1.220 176.594 177.584 0.384 0.000 1.089 297 A CA -0.446 51.753 52.037 0.270 0.000 0.807 297 A CB -0.163 18.916 19.000 0.133 0.000 1.099 297 A HN 0.511 nan 8.150 nan 0.000 0.474 298 W N 4.333 125.687 121.300 0.090 0.000 2.481 298 W HA 0.540 5.215 4.660 0.026 0.000 0.285 298 W C -3.146 173.256 176.519 -0.194 0.000 1.017 298 W CA -3.050 54.217 57.345 -0.130 0.000 1.499 298 W CB 1.125 30.561 29.460 -0.040 0.000 1.381 298 W HN 0.337 nan 8.180 nan 0.000 0.390 299 P HA 0.309 nan 4.420 nan 0.000 0.276 299 P C -0.803 176.361 177.300 -0.227 0.000 1.243 299 P CA 0.350 63.400 63.100 -0.084 0.000 0.768 299 P CB 0.935 32.642 31.700 0.012 0.000 0.856 300 K N 1.059 121.307 120.400 -0.253 0.000 2.556 300 K HA 0.799 5.135 4.320 0.027 0.000 0.289 300 K C -0.314 176.184 176.600 -0.171 0.000 1.040 300 K CA -0.943 55.191 56.287 -0.254 0.000 0.894 300 K CB 0.952 33.153 32.500 -0.498 0.000 1.547 300 K HN 0.592 nan 8.250 nan 0.000 0.417 301 G N -0.094 108.627 108.800 -0.132 0.000 2.526 301 G HA2 -0.117 3.859 3.960 0.027 0.000 0.250 301 G HA3 -0.117 3.859 3.960 0.027 0.000 0.250 301 G C -2.081 172.791 174.900 -0.046 0.000 1.289 301 G CA -0.357 44.688 45.100 -0.093 0.000 0.947 301 G HN 0.486 nan 8.290 nan 0.000 0.517 302 P HA -0.065 nan 4.420 nan 0.000 0.218 302 P C 1.163 178.463 177.300 -0.000 0.000 1.148 302 P CA 1.436 64.529 63.100 -0.012 0.000 0.822 302 P CB -0.105 31.587 31.700 -0.013 0.000 0.784 303 N N -0.401 118.293 118.700 -0.008 0.000 2.461 303 N HA 0.033 4.789 4.740 0.027 0.000 0.188 303 N C 0.098 175.613 175.510 0.008 0.000 1.134 303 N CA 0.301 53.350 53.050 -0.001 0.000 0.878 303 N CB 0.214 38.695 38.487 -0.010 0.000 0.972 303 N HN 0.105 nan 8.380 nan 0.000 0.456 304 V N 1.810 121.731 119.914 0.013 0.000 2.398 304 V HA 0.363 4.500 4.120 0.027 0.000 0.286 304 V C 0.228 176.358 176.094 0.059 0.000 1.026 304 V CA -0.718 61.602 62.300 0.035 0.000 0.868 304 V CB 1.920 33.763 31.823 0.032 0.000 0.982 304 V HN -0.050 nan 8.190 nan 0.000 0.443 305 I N 5.889 126.505 120.570 0.076 0.000 2.287 305 I HA 0.252 4.438 4.170 0.027 0.000 0.290 305 I C -0.372 175.807 176.117 0.104 0.000 1.069 305 I CA -0.332 61.025 61.300 0.096 0.000 1.237 305 I CB 1.074 39.145 38.000 0.118 0.000 1.418 305 I HN 0.378 nan 8.210 nan 0.000 0.481 306 L N 7.560 128.841 121.223 0.096 0.000 2.268 306 L HA 0.562 4.919 4.340 0.027 0.000 0.289 306 L C 0.245 177.143 176.870 0.047 0.000 1.064 306 L CA -0.085 54.819 54.840 0.107 0.000 0.824 306 L CB 0.524 42.660 42.059 0.129 0.000 1.202 306 L HN 0.635 nan 8.230 nan 0.000 0.433 307 A N 5.590 128.436 122.820 0.044 0.000 2.316 307 A HA 0.612 4.949 4.320 0.027 0.000 0.324 307 A C -0.072 177.510 177.584 -0.003 0.000 1.375 307 A CA -0.600 51.424 52.037 -0.022 0.000 0.882 307 A CB 0.104 19.138 19.000 0.056 0.000 1.152 307 A HN 0.762 nan 8.150 nan 0.000 0.512 308 E N 2.647 122.823 120.200 -0.039 0.000 2.267 308 E HA 0.282 4.648 4.350 0.027 0.000 0.258 308 E C -1.779 174.794 176.600 -0.044 0.000 1.074 308 E CA -1.999 54.383 56.400 -0.031 0.000 0.915 308 E CB 0.772 30.455 29.700 -0.029 0.000 1.186 308 E HN 0.292 nan 8.360 nan 0.000 0.439 309 P HA -0.135 nan 4.420 nan 0.000 0.226 309 P C 0.139 177.401 177.300 -0.063 0.000 1.146 309 P CA 1.410 64.488 63.100 -0.036 0.000 0.773 309 P CB 0.265 31.938 31.700 -0.045 0.000 0.772 310 D N -2.398 117.929 120.400 -0.123 0.000 2.449 310 D HA 0.099 4.755 4.640 0.027 0.000 0.255 310 D C 0.480 176.559 176.300 -0.369 0.000 1.121 310 D CA 0.167 54.051 54.000 -0.192 0.000 0.830 310 D CB 0.982 41.700 40.800 -0.136 0.000 1.280 310 D HN 0.122 nan 8.370 nan 0.000 0.522 311 R N -1.188 119.104 120.500 -0.346 0.000 2.690 311 R HA 0.613 4.970 4.340 0.027 0.000 0.269 311 R C -2.035 174.111 176.300 -0.256 0.000 1.037 311 R CA -0.789 55.080 56.100 -0.386 0.000 0.877 311 R CB 1.041 31.207 30.300 -0.223 0.000 1.255 311 R HN -0.205 nan 8.270 nan 0.000 0.467 312 V N 1.154 120.966 119.914 -0.170 0.000 2.638 312 V HA 0.500 4.636 4.120 0.027 0.000 0.306 312 V C -0.748 175.395 176.094 0.081 0.000 1.052 312 V CA -0.610 61.621 62.300 -0.116 0.000 0.885 312 V CB 2.346 33.947 31.823 -0.370 0.000 0.999 312 V HN 0.889 nan 8.190 nan 0.000 0.424 313 T N 4.022 118.614 114.554 0.064 0.000 2.791 313 T HA 0.654 5.020 4.350 0.027 0.000 0.288 313 T C -0.815 173.959 174.700 0.124 0.000 0.999 313 T CA -0.485 61.676 62.100 0.102 0.000 0.952 313 T CB 1.499 70.398 68.868 0.051 0.000 0.938 313 T HN 0.592 nan 8.240 nan 0.000 0.444 314 V N 3.386 123.414 119.914 0.190 0.000 2.752 314 V HA 0.490 4.626 4.120 0.027 0.000 0.302 314 V C -0.889 175.305 176.094 0.166 0.000 1.133 314 V CA -0.561 61.839 62.300 0.166 0.000 0.919 314 V CB 1.695 33.617 31.823 0.166 0.000 1.026 314 V HN 0.934 nan 8.190 nan 0.000 0.429 315 D N 4.782 125.242 120.400 0.099 0.000 2.723 315 D HA -0.100 4.556 4.640 0.027 0.000 0.236 315 D C 0.984 177.321 176.300 0.062 0.000 1.138 315 D CA 2.198 56.245 54.000 0.077 0.000 0.676 315 D CB -1.189 39.665 40.800 0.090 0.000 1.069 315 D HN 2.258 nan 8.370 nan 0.000 0.430 316 G N -0.401 108.422 108.800 0.039 0.000 2.136 316 G HA2 -0.328 3.648 3.960 0.027 0.000 0.242 316 G HA3 -0.328 3.648 3.960 0.027 0.000 0.242 316 G C 0.317 175.204 174.900 -0.022 0.000 0.989 316 G CA 0.422 45.526 45.100 0.006 0.000 0.682 316 G HN 0.633 nan 8.290 nan 0.000 0.522 317 R N -0.453 120.033 120.500 -0.023 0.000 2.673 317 R HA 0.699 5.055 4.340 0.027 0.000 0.281 317 R C -0.275 175.885 176.300 -0.233 0.000 0.991 317 R CA -0.111 55.879 56.100 -0.184 0.000 0.896 317 R CB 1.964 32.082 30.300 -0.303 0.000 1.201 317 R HN 0.572 nan 8.270 nan 0.000 0.457 318 A N 2.744 125.371 122.820 -0.321 0.000 2.292 318 A HA 0.612 4.948 4.320 0.027 0.000 0.319 318 A C -1.407 175.954 177.584 -0.373 0.000 1.206 318 A CA -0.394 51.513 52.037 -0.217 0.000 0.835 318 A CB 0.455 19.382 19.000 -0.121 0.000 1.164 318 A HN 0.626 nan 8.150 nan 0.000 0.505 319 Y N 2.121 122.414 120.300 -0.011 0.000 2.328 319 Y HA 0.470 5.035 4.550 0.026 0.000 0.336 319 Y C 0.158 175.970 175.900 -0.146 0.000 0.960 319 Y CA -0.912 57.210 58.100 0.036 0.000 1.134 319 Y CB 1.721 40.303 38.460 0.204 0.000 1.166 319 Y HN 0.810 nan 8.280 nan 0.000 0.464 320 D N 0.573 120.938 120.400 -0.059 0.000 2.497 320 D HA 0.552 5.208 4.640 0.027 0.000 0.243 320 D C 0.686 176.815 176.300 -0.284 0.000 1.039 320 D CA -0.556 53.262 54.000 -0.303 0.000 1.052 320 D CB 2.024 42.717 40.800 -0.179 0.000 1.344 320 D HN 0.722 nan 8.370 nan 0.000 0.553 321 G N -0.283 108.318 108.800 -0.331 0.000 2.130 321 G HA2 -0.012 3.964 3.960 0.027 0.000 0.216 321 G HA3 -0.012 3.964 3.960 0.027 0.000 0.216 321 G C -0.284 174.602 174.900 -0.023 0.000 0.999 321 G CA 0.293 45.319 45.100 -0.123 0.000 0.686 321 G HN 0.782 nan 8.290 nan 0.000 0.515 322 F N -1.195 118.744 119.950 -0.020 0.000 2.662 322 F HA 0.829 5.368 4.527 0.021 0.000 0.312 322 F C 0.124 175.916 175.800 -0.012 0.000 1.113 322 F CA -1.055 56.929 58.000 -0.027 0.000 0.951 322 F CB 0.501 39.488 39.000 -0.021 0.000 1.344 322 F HN 0.402 nan 8.300 nan 0.000 0.462 323 T N -0.152 114.557 114.554 0.258 0.000 2.904 323 T HA 0.298 4.664 4.350 0.027 0.000 0.290 323 T C 0.789 175.667 174.700 0.296 0.000 1.018 323 T CA -0.502 61.698 62.100 0.167 0.000 1.075 323 T CB 1.461 70.390 68.868 0.101 0.000 0.986 323 T HN 0.910 nan 8.240 nan 0.000 0.523 324 L N 1.129 122.462 121.223 0.184 0.000 2.042 324 L HA -0.022 4.334 4.340 0.027 0.000 0.210 324 L C 2.811 179.825 176.870 0.240 0.000 1.076 324 L CA 1.675 56.653 54.840 0.231 0.000 0.749 324 L CB -0.750 41.380 42.059 0.119 0.000 0.893 324 L HN 0.799 nan 8.230 nan 0.000 0.432 325 R N -0.295 120.289 120.500 0.139 0.000 2.083 325 R HA -0.181 4.175 4.340 0.027 0.000 0.237 325 R C 2.066 178.419 176.300 0.088 0.000 1.137 325 R CA 1.640 57.794 56.100 0.090 0.000 0.951 325 R CB -0.533 29.794 30.300 0.046 0.000 0.851 325 R HN 0.536 nan 8.270 nan 0.000 0.434 326 A N 0.210 123.097 122.820 0.111 0.000 1.930 326 A HA -0.176 4.160 4.320 0.027 0.000 0.217 326 A C 1.988 179.590 177.584 0.031 0.000 1.175 326 A CA 1.162 53.237 52.037 0.063 0.000 0.627 326 A CB -0.710 18.328 19.000 0.064 0.000 0.815 326 A HN 0.491 nan 8.150 nan 0.000 0.443 327 F N 0.629 120.554 119.950 -0.042 0.000 2.102 327 F HA -0.106 4.434 4.527 0.023 0.000 0.298 327 F C 1.853 177.613 175.800 -0.067 0.000 1.105 327 F CA 1.685 59.609 58.000 -0.126 0.000 1.239 327 F CB -0.288 38.729 39.000 0.028 0.000 0.991 327 F HN 0.132 nan 8.300 nan 0.000 0.474 328 L N -0.247 120.940 121.223 -0.061 0.000 2.093 328 L HA -0.208 4.148 4.340 0.027 0.000 0.208 328 L C 2.530 179.304 176.870 -0.160 0.000 1.085 328 L CA 1.359 56.112 54.840 -0.146 0.000 0.755 328 L CB -0.836 41.240 42.059 0.029 0.000 0.904 328 L HN 0.215 nan 8.230 nan 0.000 0.435 329 Q N -0.229 119.512 119.800 -0.098 0.000 2.020 329 Q HA -0.200 4.156 4.340 0.027 0.000 0.202 329 Q C 2.430 178.353 176.000 -0.129 0.000 0.982 329 Q CA 1.991 57.743 55.803 -0.085 0.000 0.838 329 Q CB -0.258 28.453 28.738 -0.045 0.000 0.899 329 Q HN 0.545 nan 8.270 nan 0.000 0.423 330 A N 0.282 122.998 122.820 -0.174 0.000 1.933 330 A HA -0.170 4.166 4.320 0.027 0.000 0.218 330 A C 1.978 179.412 177.584 -0.251 0.000 1.175 330 A CA 1.163 53.085 52.037 -0.192 0.000 0.628 330 A CB -0.603 18.274 19.000 -0.204 0.000 0.814 330 A HN 0.387 nan 8.150 nan 0.000 0.444 331 L N -0.329 120.657 121.223 -0.395 0.000 2.093 331 L HA 0.002 4.358 4.340 0.027 0.000 0.208 331 L C 2.610 179.346 176.870 -0.223 0.000 1.085 331 L CA 1.963 56.564 54.840 -0.398 0.000 0.755 331 L CB -0.654 41.015 42.059 -0.650 0.000 0.904 331 L HN 0.326 nan 8.230 nan 0.000 0.435 332 A N -0.808 121.907 122.820 -0.175 0.000 2.019 332 A HA -0.159 4.177 4.320 0.027 0.000 0.219 332 A C 2.074 179.611 177.584 -0.077 0.000 1.164 332 A CA 1.530 53.508 52.037 -0.098 0.000 0.644 332 A CB -0.475 18.485 19.000 -0.068 0.000 0.805 332 A HN 0.587 nan 8.150 nan 0.000 0.449 333 E N 0.069 120.216 120.200 -0.088 0.000 2.106 333 E HA -0.138 4.229 4.350 0.027 0.000 0.192 333 E C 1.319 177.882 176.600 -0.063 0.000 0.984 333 E CA 0.980 57.341 56.400 -0.066 0.000 0.806 333 E CB -0.158 29.502 29.700 -0.067 0.000 0.750 333 E HN 0.483 nan 8.360 nan 0.000 0.458 334 K N 0.149 120.499 120.400 -0.082 0.000 2.348 334 K HA 0.241 4.577 4.320 0.027 0.000 0.194 334 K C 0.788 177.350 176.600 -0.063 0.000 1.052 334 K CA 0.098 56.343 56.287 -0.071 0.000 1.004 334 K CB 0.558 33.008 32.500 -0.084 0.000 0.873 334 K HN -0.032 nan 8.250 nan 0.000 0.523 335 A N 4.519 127.296 122.820 -0.072 0.000 2.531 335 A HA 0.178 4.514 4.320 0.027 0.000 0.236 335 A C -2.053 175.511 177.584 -0.033 0.000 1.062 335 A CA -0.629 51.374 52.037 -0.056 0.000 0.760 335 A CB -0.370 18.594 19.000 -0.061 0.000 0.995 335 A HN -0.007 nan 8.150 nan 0.000 0.501 336 P HA 0.428 nan 4.420 nan 0.000 0.278 336 P C -0.605 176.691 177.300 -0.005 0.000 1.266 336 P CA -0.340 62.752 63.100 -0.013 0.000 0.807 336 P CB 0.999 32.693 31.700 -0.010 0.000 1.094 337 A N 1.681 124.501 122.820 -0.000 0.000 2.309 337 A HA 0.455 4.791 4.320 0.027 0.000 0.290 337 A C 0.105 177.694 177.584 0.007 0.000 1.206 337 A CA -0.218 51.823 52.037 0.007 0.000 0.850 337 A CB -0.448 18.557 19.000 0.009 0.000 1.118 337 A HN 0.360 nan 8.150 nan 0.000 0.523 338 R N 3.267 123.773 120.500 0.010 0.000 2.547 338 R HA 0.361 4.717 4.340 0.027 0.000 0.280 338 R C -2.414 173.894 176.300 0.013 0.000 1.630 338 R CA -1.567 54.539 56.100 0.009 0.000 1.470 338 R CB 1.274 31.577 30.300 0.005 0.000 1.178 338 R HN 0.490 nan 8.270 nan 0.000 0.591 339 P HA 0.070 nan 4.420 nan 0.000 0.251 339 P C 0.851 178.160 177.300 0.016 0.000 1.223 339 P CA 0.285 63.397 63.100 0.021 0.000 0.796 339 P CB 0.540 32.254 31.700 0.022 0.000 1.068 340 A N 1.171 123.997 122.820 0.010 0.000 1.915 340 A HA -0.271 4.065 4.320 0.027 0.000 0.220 340 A C 2.324 179.911 177.584 0.004 0.000 1.198 340 A CA 2.820 54.861 52.037 0.007 0.000 0.647 340 A CB -1.725 17.277 19.000 0.004 0.000 0.825 340 A HN 0.316 nan 8.150 nan 0.000 0.456 341 S N 0.285 115.986 115.700 0.001 0.000 2.382 341 S HA -0.023 4.463 4.470 0.027 0.000 0.228 341 S C 2.177 176.776 174.600 -0.002 0.000 1.027 341 S CA 1.343 59.540 58.200 -0.006 0.000 0.991 341 S CB -0.618 62.572 63.200 -0.016 0.000 0.823 341 S HN 0.899 nan 8.310 nan 0.000 0.469 342 A N 2.446 125.272 122.820 0.010 0.000 1.897 342 A HA -0.122 4.214 4.320 0.027 0.000 0.215 342 A C 2.284 179.880 177.584 0.021 0.000 1.181 342 A CA 1.209 53.259 52.037 0.022 0.000 0.620 342 A CB -0.645 18.383 19.000 0.046 0.000 0.821 342 A HN 0.699 nan 8.150 nan 0.000 0.443 343 Q N -1.276 118.536 119.800 0.019 0.000 2.435 343 Q HA 0.029 4.385 4.340 0.027 0.000 0.207 343 Q C 0.763 176.770 176.000 0.012 0.000 0.956 343 Q CA 1.137 56.950 55.803 0.017 0.000 0.917 343 Q CB -0.161 28.586 28.738 0.016 0.000 0.997 343 Q HN 0.323 nan 8.270 nan 0.000 0.497 344 K N 1.182 121.588 120.400 0.009 0.000 2.410 344 K HA 0.134 4.470 4.320 0.027 0.000 0.200 344 K C -0.478 176.125 176.600 0.005 0.000 1.023 344 K CA 0.069 56.359 56.287 0.006 0.000 1.149 344 K CB 1.066 33.568 32.500 0.003 0.000 0.859 344 K HN 0.364 nan 8.250 nan 0.000 0.514 345 S N -2.340 113.363 115.700 0.005 0.000 2.579 345 S HA 0.578 5.064 4.470 0.027 0.000 0.272 345 S C -0.542 174.062 174.600 0.006 0.000 1.141 345 S CA -1.005 57.196 58.200 0.002 0.000 0.843 345 S CB 1.813 65.007 63.200 -0.010 0.000 1.122 345 S HN -0.115 nan 8.310 nan 0.000 0.468 346 S N 0.811 116.514 115.700 0.006 0.000 2.617 346 S HA 0.549 5.036 4.470 0.027 0.000 0.283 346 S C 0.088 174.695 174.600 0.013 0.000 1.189 346 S CA -0.662 57.547 58.200 0.015 0.000 1.036 346 S CB 1.505 64.715 63.200 0.017 0.000 1.014 346 S HN 1.025 nan 8.310 nan 0.000 0.522 347 V N 4.923 124.858 119.914 0.035 0.000 2.599 347 V HA 0.187 4.323 4.120 0.027 0.000 0.300 347 V C -2.037 174.086 176.094 0.049 0.000 1.034 347 V CA -1.506 60.829 62.300 0.058 0.000 1.115 347 V CB 0.238 32.119 31.823 0.097 0.000 0.934 347 V HN 0.694 nan 8.190 nan 0.000 0.485 348 P HA 0.203 nan 4.420 nan 0.000 0.271 348 P C -0.510 176.839 177.300 0.082 0.000 1.216 348 P CA 0.189 63.311 63.100 0.037 0.000 0.771 348 P CB 1.015 32.717 31.700 0.003 0.000 0.864 349 T N 1.586 116.177 114.554 0.062 0.000 2.916 349 T HA 0.489 4.855 4.350 0.027 0.000 0.292 349 T C -1.395 173.339 174.700 0.058 0.000 1.064 349 T CA -0.521 61.616 62.100 0.062 0.000 1.011 349 T CB 0.950 69.846 68.868 0.047 0.000 1.152 349 T HN 0.549 nan 8.240 nan 0.000 0.510 350 C N 2.899 122.231 119.300 0.054 0.000 2.442 350 C HA 0.708 5.184 4.460 0.027 0.000 0.335 350 C C 0.158 175.171 174.990 0.038 0.000 1.134 350 C CA -0.558 58.490 59.018 0.050 0.000 1.344 350 C CB 0.147 27.922 27.740 0.059 0.000 1.956 350 C HN 0.893 nan 8.230 nan 0.000 0.438 351 S N 5.154 120.874 115.700 0.033 0.000 2.455 351 S HA 0.570 5.056 4.470 0.027 0.000 0.278 351 S C -0.540 174.075 174.600 0.024 0.000 1.216 351 S CA -0.062 58.153 58.200 0.026 0.000 1.055 351 S CB -0.084 63.129 63.200 0.022 0.000 0.939 351 S HN 0.670 nan 8.310 nan 0.000 0.494 352 L N 4.210 125.446 121.223 0.022 0.000 2.343 352 L HA 0.358 4.714 4.340 0.027 0.000 0.278 352 L C 0.548 177.430 176.870 0.020 0.000 0.996 352 L CA -0.638 54.215 54.840 0.022 0.000 0.831 352 L CB 1.920 43.992 42.059 0.023 0.000 1.232 352 L HN 0.487 nan 8.230 nan 0.000 0.413 353 T N 2.755 117.320 114.554 0.019 0.000 2.834 353 T HA 0.490 4.857 4.350 0.027 0.000 0.298 353 T C 0.181 174.894 174.700 0.023 0.000 0.966 353 T CA -0.377 61.733 62.100 0.018 0.000 1.141 353 T CB 0.525 69.401 68.868 0.013 0.000 0.905 353 T HN 0.641 nan 8.240 nan 0.000 0.535 354 A N 4.492 127.325 122.820 0.023 0.000 2.306 354 A HA 0.661 4.997 4.320 0.027 0.000 0.314 354 A C 0.585 178.185 177.584 0.028 0.000 1.164 354 A CA -0.584 51.471 52.037 0.029 0.000 0.822 354 A CB 1.267 20.281 19.000 0.024 0.000 1.130 354 A HN 0.877 nan 8.150 nan 0.000 0.496 355 T N -0.141 114.434 114.554 0.036 0.000 2.841 355 T HA 0.644 5.010 4.350 0.027 0.000 0.276 355 T C 0.571 175.291 174.700 0.033 0.000 1.003 355 T CA 0.208 62.326 62.100 0.030 0.000 0.995 355 T CB 0.902 69.787 68.868 0.027 0.000 1.260 355 T HN 1.333 nan 8.240 nan 0.000 0.581 356 S N 0.431 116.147 115.700 0.027 0.000 2.693 356 S HA 0.321 4.807 4.470 0.027 0.000 0.276 356 S C 0.751 175.371 174.600 0.034 0.000 1.192 356 S CA -0.417 57.800 58.200 0.028 0.000 0.994 356 S CB 0.809 64.022 63.200 0.021 0.000 1.012 356 S HN 0.675 nan 8.310 nan 0.000 0.550 357 D N 0.718 121.140 120.400 0.036 0.000 2.149 357 D HA -0.106 4.550 4.640 0.027 0.000 0.194 357 D C 1.430 177.747 176.300 0.029 0.000 1.001 357 D CA 1.540 55.564 54.000 0.040 0.000 0.849 357 D CB 0.009 40.831 40.800 0.036 0.000 0.939 357 D HN 0.697 nan 8.370 nan 0.000 0.449 358 E N -0.294 119.919 120.200 0.022 0.000 2.481 358 E HA 0.239 4.605 4.350 0.027 0.000 0.198 358 E C 0.529 177.136 176.600 0.012 0.000 1.027 358 E CA -0.121 56.289 56.400 0.016 0.000 0.900 358 E CB 0.475 30.184 29.700 0.014 0.000 0.993 358 E HN 0.112 nan 8.360 nan 0.000 0.482 359 A N 1.296 124.124 122.820 0.013 0.000 2.406 359 A HA 0.419 4.755 4.320 0.027 0.000 0.243 359 A C 0.913 178.500 177.584 0.005 0.000 1.082 359 A CA 0.370 52.413 52.037 0.009 0.000 0.786 359 A CB 0.102 19.108 19.000 0.011 0.000 1.029 359 A HN 0.120 nan 8.150 nan 0.000 0.495 360 G N -0.258 108.544 108.800 0.004 0.000 2.414 360 G HA2 0.386 4.362 3.960 0.027 0.000 0.236 360 G HA3 0.386 4.362 3.960 0.027 0.000 0.236 360 G C 0.039 174.937 174.900 -0.004 0.000 1.293 360 G CA -0.318 44.782 45.100 0.000 0.000 0.869 360 G HN 0.837 nan 8.290 nan 0.000 0.556 361 L N 1.502 122.718 121.223 -0.011 0.000 2.485 361 L HA 0.364 4.720 4.340 0.027 0.000 0.275 361 L C 0.751 177.611 176.870 -0.016 0.000 1.207 361 L CA 0.761 55.587 54.840 -0.023 0.000 0.855 361 L CB 0.815 42.855 42.059 -0.033 0.000 1.114 361 L HN 0.476 nan 8.230 nan 0.000 0.485 362 T N 4.019 118.563 114.554 -0.018 0.000 2.893 362 T HA 0.205 4.571 4.350 0.027 0.000 0.291 362 T C 0.862 175.555 174.700 -0.012 0.000 1.028 362 T CA -0.231 61.863 62.100 -0.009 0.000 0.995 362 T CB 1.608 70.477 68.868 0.001 0.000 1.051 362 T HN 0.720 nan 8.240 nan 0.000 0.470 363 N N 1.814 120.509 118.700 -0.008 0.000 2.037 363 N HA -0.180 4.576 4.740 0.027 0.000 0.196 363 N C 1.225 176.734 175.510 -0.002 0.000 1.034 363 N CA 2.078 55.124 53.050 -0.008 0.000 0.861 363 N CB -0.045 38.440 38.487 -0.004 0.000 1.039 363 N HN 0.524 nan 8.380 nan 0.000 0.427 364 D N -0.441 119.963 120.400 0.006 0.000 2.149 364 D HA -0.133 4.523 4.640 0.027 0.000 0.198 364 D C 1.704 178.021 176.300 0.029 0.000 0.990 364 D CA 0.848 54.858 54.000 0.016 0.000 0.839 364 D CB -0.281 40.530 40.800 0.018 0.000 0.948 364 D HN 0.410 nan 8.370 nan 0.000 0.460 365 E N 0.007 120.227 120.200 0.032 0.000 2.152 365 E HA -0.020 4.346 4.350 0.027 0.000 0.192 365 E C 2.035 178.680 176.600 0.075 0.000 0.983 365 E CA 0.405 56.850 56.400 0.074 0.000 0.818 365 E CB -0.131 29.596 29.700 0.045 0.000 0.758 365 E HN 0.296 nan 8.360 nan 0.000 0.467 366 I N -0.529 120.030 120.570 -0.018 0.000 2.179 366 I HA -0.255 3.932 4.170 0.027 0.000 0.242 366 I C 2.069 178.142 176.117 -0.074 0.000 1.088 366 I CA 0.732 61.987 61.300 -0.076 0.000 1.357 366 I CB -0.220 37.728 38.000 -0.087 0.000 1.051 366 I HN 0.027 nan 8.210 nan 0.000 0.409 367 V N 0.628 120.518 119.914 -0.040 0.000 2.343 367 V HA -0.296 3.840 4.120 0.027 0.000 0.247 367 V C 2.587 178.673 176.094 -0.014 0.000 1.051 367 V CA 1.848 64.125 62.300 -0.040 0.000 1.036 367 V CB -0.783 31.035 31.823 -0.007 0.000 0.654 367 V HN 0.363 nan 8.190 nan 0.000 0.451 368 R N -1.081 119.441 120.500 0.037 0.000 2.081 368 R HA -0.178 4.178 4.340 0.027 0.000 0.235 368 R C 2.355 178.656 176.300 0.003 0.000 1.131 368 R CA 1.856 57.974 56.100 0.031 0.000 0.960 368 R CB -0.267 30.068 30.300 0.058 0.000 0.856 368 R HN 0.618 nan 8.270 nan 0.000 0.436 369 H N -0.400 118.632 119.070 -0.063 0.000 2.363 369 H HA -0.009 4.563 4.556 0.027 0.000 0.301 369 H C 1.882 177.152 175.328 -0.096 0.000 1.074 369 H CA 1.710 57.726 56.048 -0.054 0.000 1.354 369 H CB -0.003 29.740 29.762 -0.031 0.000 1.397 369 H HN 0.146 nan 8.280 nan 0.000 0.516 370 I N 0.039 120.550 120.570 -0.098 0.000 2.252 370 I HA -0.262 3.924 4.170 0.027 0.000 0.245 370 I C 2.154 178.223 176.117 -0.080 0.000 1.102 370 I CA 1.228 62.404 61.300 -0.207 0.000 1.385 370 I CB -0.341 37.409 38.000 -0.418 0.000 1.064 370 I HN 0.339 nan 8.210 nan 0.000 0.414 371 N N 0.714 119.378 118.700 -0.060 0.000 2.094 371 N HA -0.209 4.547 4.740 0.027 0.000 0.191 371 N C 1.881 177.375 175.510 -0.027 0.000 1.023 371 N CA 1.223 54.253 53.050 -0.034 0.000 0.857 371 N CB -0.029 38.443 38.487 -0.024 0.000 1.013 371 N HN 0.348 nan 8.380 nan 0.000 0.426 372 A N 0.475 123.275 122.820 -0.034 0.000 2.067 372 A HA -0.047 4.289 4.320 0.027 0.000 0.219 372 A C 2.061 179.642 177.584 -0.006 0.000 1.158 372 A CA 0.637 52.655 52.037 -0.033 0.000 0.661 372 A CB -0.397 18.561 19.000 -0.070 0.000 0.801 372 A HN 0.336 nan 8.150 nan 0.000 0.452 373 L N -0.292 120.940 121.223 0.015 0.000 2.156 373 L HA 0.048 4.404 4.340 0.027 0.000 0.208 373 L C 0.319 177.206 176.870 0.028 0.000 1.095 373 L CA 0.238 55.106 54.840 0.046 0.000 0.770 373 L CB -0.271 41.848 42.059 0.100 0.000 0.914 373 L HN 0.319 nan 8.230 nan 0.000 0.439 374 L N 0.723 121.951 121.223 0.009 0.000 2.513 374 L HA 0.033 4.390 4.340 0.027 0.000 0.272 374 L C 0.535 177.399 176.870 -0.009 0.000 1.187 374 L CA 0.071 54.910 54.840 -0.001 0.000 0.895 374 L CB 0.220 42.271 42.059 -0.013 0.000 1.147 374 L HN 0.223 nan 8.230 nan 0.000 0.483 375 T N -2.173 112.373 114.554 -0.013 0.000 2.910 375 T HA 0.250 4.616 4.350 0.027 0.000 0.287 375 T C 0.994 175.675 174.700 -0.031 0.000 1.050 375 T CA -0.176 61.913 62.100 -0.019 0.000 1.011 375 T CB 1.616 70.475 68.868 -0.014 0.000 1.195 375 T HN 0.555 nan 8.240 nan 0.000 0.540 376 S N 0.075 115.756 115.700 -0.033 0.000 2.469 376 S HA -0.132 4.354 4.470 0.027 0.000 0.238 376 S C 1.323 175.896 174.600 -0.044 0.000 0.998 376 S CA 1.278 59.454 58.200 -0.040 0.000 0.957 376 S CB -0.795 62.382 63.200 -0.039 0.000 0.764 376 S HN 0.769 nan 8.310 nan 0.000 0.514 377 N N 1.078 119.753 118.700 -0.043 0.000 2.235 377 N HA 0.166 4.922 4.740 0.027 0.000 0.209 377 N C -0.728 174.734 175.510 -0.080 0.000 1.122 377 N CA 0.052 53.071 53.050 -0.052 0.000 0.845 377 N CB 0.257 38.722 38.487 -0.036 0.000 1.004 377 N HN 0.308 nan 8.380 nan 0.000 0.499 378 T N -0.392 114.116 114.554 -0.076 0.000 2.907 378 T HA 0.341 4.707 4.350 0.027 0.000 0.284 378 T C -0.342 174.279 174.700 -0.131 0.000 1.004 378 T CA -0.203 61.839 62.100 -0.098 0.000 1.063 378 T CB 1.553 70.394 68.868 -0.045 0.000 0.992 378 T HN -0.077 nan 8.240 nan 0.000 0.483 379 T N 3.580 118.007 114.554 -0.212 0.000 2.791 379 T HA 0.440 4.806 4.350 0.027 0.000 0.288 379 T C -0.615 174.055 174.700 -0.050 0.000 0.999 379 T CA -0.563 61.441 62.100 -0.161 0.000 0.952 379 T CB 0.526 69.224 68.868 -0.283 0.000 0.938 379 T HN 0.358 nan 8.240 nan 0.000 0.444 380 L N 4.897 126.127 121.223 0.011 0.000 2.272 380 L HA 0.599 4.955 4.340 0.027 0.000 0.289 380 L C -0.821 176.107 176.870 0.097 0.000 1.032 380 L CA -0.706 54.169 54.840 0.057 0.000 0.810 380 L CB 0.991 43.072 42.059 0.038 0.000 1.205 380 L HN 0.380 nan 8.230 nan 0.000 0.422 381 V N 4.592 124.579 119.914 0.122 0.000 2.370 381 V HA 0.540 4.676 4.120 0.027 0.000 0.279 381 V C 0.302 176.512 176.094 0.193 0.000 1.029 381 V CA -0.541 61.850 62.300 0.152 0.000 0.870 381 V CB 1.339 33.182 31.823 0.034 0.000 0.984 381 V HN 0.846 nan 8.190 nan 0.000 0.451 382 A N 3.748 126.745 122.820 0.295 0.000 2.291 382 A HA 0.731 5.067 4.320 0.027 0.000 0.311 382 A C -0.282 177.554 177.584 0.420 0.000 1.224 382 A CA -0.555 51.652 52.037 0.283 0.000 0.821 382 A CB 1.033 20.164 19.000 0.217 0.000 1.172 382 A HN 0.808 nan 8.150 nan 0.000 0.494 383 E N 1.624 122.001 120.200 0.295 0.000 2.392 383 E HA 0.354 4.721 4.350 0.027 0.000 0.259 383 E C 0.119 176.672 176.600 -0.078 0.000 1.108 383 E CA 0.169 56.716 56.400 0.245 0.000 0.916 383 E CB 0.511 30.297 29.700 0.142 0.000 0.989 383 E HN 0.558 nan 8.360 nan 0.000 0.432 384 T N 2.501 116.881 114.554 -0.291 0.000 2.908 384 T HA 0.488 4.855 4.350 0.027 0.000 0.301 384 T C 0.302 174.559 174.700 -0.737 0.000 1.019 384 T CA 0.738 62.198 62.100 -1.067 0.000 1.152 384 T CB 0.058 68.510 68.868 -0.692 0.000 0.966 384 T HN 0.747 nan 8.240 nan 0.000 0.540 385 G N 2.917 111.191 108.800 -0.876 0.000 2.298 385 G HA2 -0.079 3.897 3.960 0.027 0.000 0.309 385 G HA3 -0.079 3.897 3.960 0.027 0.000 0.309 385 G C 0.216 175.040 174.900 -0.127 0.000 1.279 385 G CA -0.093 44.795 45.100 -0.353 0.000 1.042 385 G HN 0.536 nan 8.290 nan 0.000 0.480 386 D N -0.079 120.333 120.400 0.021 0.000 2.309 386 D HA 0.018 4.674 4.640 0.027 0.000 0.212 386 D C 2.457 178.868 176.300 0.185 0.000 0.968 386 D CA 1.842 55.943 54.000 0.169 0.000 0.882 386 D CB -0.070 40.769 40.800 0.065 0.000 0.918 386 D HN 0.290 nan 8.370 nan 0.000 0.503 387 S N -0.479 115.267 115.700 0.077 0.000 2.399 387 S HA -0.140 4.346 4.470 0.027 0.000 0.231 387 S C 1.483 176.184 174.600 0.168 0.000 1.022 387 S CA 0.451 58.708 58.200 0.096 0.000 0.983 387 S CB -0.290 62.951 63.200 0.069 0.000 0.803 387 S HN 0.452 nan 8.310 nan 0.000 0.480 388 W N 1.319 122.567 121.300 -0.087 0.000 2.321 388 W HA -0.052 4.625 4.660 0.028 0.000 0.306 388 W C 1.776 178.097 176.519 -0.330 0.000 1.217 388 W CA 0.382 57.547 57.345 -0.301 0.000 1.257 388 W CB -1.311 27.788 29.460 -0.601 0.000 1.145 388 W HN 0.332 nan 8.180 nan 0.000 0.509 389 F N 0.602 120.667 119.950 0.191 0.000 2.234 389 F HA -0.118 4.426 4.527 0.028 0.000 0.296 389 F C 2.124 177.965 175.800 0.068 0.000 1.089 389 F CA 1.638 59.700 58.000 0.102 0.000 1.343 389 F CB -1.070 37.941 39.000 0.018 0.000 1.040 389 F HN -0.001 nan 8.300 nan 0.000 0.498 390 N N 0.448 119.271 118.700 0.205 0.000 2.467 390 N HA 0.065 4.821 4.740 0.027 0.000 0.184 390 N C 1.793 177.342 175.510 0.066 0.000 1.106 390 N CA 0.715 53.833 53.050 0.113 0.000 0.892 390 N CB -0.131 38.399 38.487 0.072 0.000 0.969 390 N HN 0.239 nan 8.380 nan 0.000 0.454 391 A N 2.039 124.896 122.820 0.062 0.000 1.877 391 A HA -0.078 4.259 4.320 0.027 0.000 0.216 391 A C 2.305 179.893 177.584 0.006 0.000 1.186 391 A CA 1.106 53.157 52.037 0.023 0.000 0.620 391 A CB -0.295 18.713 19.000 0.013 0.000 0.822 391 A HN 0.098 nan 8.150 nan 0.000 0.443 392 M N -0.369 119.239 119.600 0.013 0.000 2.267 392 M HA -0.073 4.423 4.480 0.027 0.000 0.263 392 M C 1.759 178.103 176.300 0.073 0.000 1.063 392 M CA 1.218 56.538 55.300 0.033 0.000 1.090 392 M CB -1.202 31.453 32.600 0.093 0.000 1.392 392 M HN 0.365 nan 8.290 nan 0.000 0.422 393 R N -1.106 119.440 120.500 0.077 0.000 2.310 393 R HA 0.257 4.614 4.340 0.027 0.000 0.202 393 R C 0.137 176.470 176.300 0.054 0.000 0.933 393 R CA -0.063 56.081 56.100 0.075 0.000 1.054 393 R CB 0.027 30.372 30.300 0.076 0.000 0.985 393 R HN 0.294 nan 8.270 nan 0.000 0.489 394 M N 0.321 119.945 119.600 0.040 0.000 2.318 394 M HA 0.162 4.658 4.480 0.027 0.000 0.347 394 M C -0.285 176.035 176.300 0.034 0.000 1.175 394 M CA -0.050 55.264 55.300 0.024 0.000 1.075 394 M CB 2.113 34.715 32.600 0.002 0.000 1.614 394 M HN -0.139 nan 8.290 nan 0.000 0.456 395 T N 5.003 119.575 114.554 0.030 0.000 2.723 395 T HA 0.478 4.844 4.350 0.027 0.000 0.297 395 T C -0.540 174.156 174.700 -0.006 0.000 0.925 395 T CA -0.707 61.411 62.100 0.029 0.000 1.030 395 T CB -0.452 68.439 68.868 0.038 0.000 0.905 395 T HN 0.442 nan 8.240 nan 0.000 0.502 396 L N 3.285 124.488 121.223 -0.035 0.000 2.295 396 L HA 0.693 5.049 4.340 0.027 0.000 0.285 396 L C -2.448 174.381 176.870 -0.068 0.000 1.035 396 L CA -2.453 52.356 54.840 -0.051 0.000 0.806 396 L CB -0.105 41.919 42.059 -0.058 0.000 1.214 396 L HN 0.206 nan 8.230 nan 0.000 0.426 397 P HA 0.049 nan 4.420 nan 0.000 0.269 397 P C -0.527 176.730 177.300 -0.072 0.000 1.215 397 P CA -0.416 62.651 63.100 -0.054 0.000 0.780 397 P CB 0.568 32.244 31.700 -0.039 0.000 0.898 398 R N 0.943 121.397 120.500 -0.078 0.000 2.502 398 R HA 0.208 4.564 4.340 0.027 0.000 0.292 398 R C 1.255 177.511 176.300 -0.073 0.000 0.998 398 R CA 1.445 57.490 56.100 -0.091 0.000 1.056 398 R CB -0.795 29.453 30.300 -0.088 0.000 0.939 398 R HN 0.860 nan 8.270 nan 0.000 0.411 399 G N 2.167 110.922 108.800 -0.075 0.000 2.279 399 G HA2 -0.285 3.691 3.960 0.027 0.000 0.223 399 G HA3 -0.285 3.691 3.960 0.027 0.000 0.223 399 G C 0.069 174.939 174.900 -0.050 0.000 1.015 399 G CA -0.058 45.007 45.100 -0.059 0.000 0.621 399 G HN 0.938 nan 8.290 nan 0.000 0.506 400 A N 0.326 123.115 122.820 -0.052 0.000 2.445 400 A HA 0.717 5.053 4.320 0.027 0.000 0.242 400 A C 0.551 178.117 177.584 -0.031 0.000 1.075 400 A CA 0.742 52.751 52.037 -0.046 0.000 0.777 400 A CB 0.247 19.219 19.000 -0.046 0.000 1.013 400 A HN 0.586 nan 8.150 nan 0.000 0.493 401 R N 0.578 121.063 120.500 -0.025 0.000 2.562 401 R HA 0.593 4.950 4.340 0.027 0.000 0.298 401 R C -1.297 175.011 176.300 0.012 0.000 0.961 401 R CA -0.345 55.760 56.100 0.010 0.000 0.881 401 R CB 2.086 32.393 30.300 0.011 0.000 1.159 401 R HN 0.489 nan 8.270 nan 0.000 0.450 402 V N 3.013 122.940 119.914 0.022 0.000 2.555 402 V HA 0.379 4.516 4.120 0.027 0.000 0.302 402 V C -0.627 175.496 176.094 0.048 0.000 1.038 402 V CA -0.788 61.518 62.300 0.011 0.000 0.887 402 V CB 1.980 33.770 31.823 -0.055 0.000 0.991 402 V HN 0.651 nan 8.190 nan 0.000 0.434 403 E N 5.061 125.332 120.200 0.119 0.000 2.155 403 E HA 0.623 4.989 4.350 0.027 0.000 0.264 403 E C -1.142 175.627 176.600 0.281 0.000 0.886 403 E CA -0.284 56.253 56.400 0.227 0.000 0.752 403 E CB 2.387 32.284 29.700 0.328 0.000 1.133 403 E HN 0.477 nan 8.360 nan 0.000 0.414 404 L N 1.152 122.419 121.223 0.074 0.000 2.341 404 L HA 0.407 4.764 4.340 0.027 0.000 0.267 404 L C 0.533 177.189 176.870 -0.357 0.000 1.009 404 L CA -0.543 54.229 54.840 -0.112 0.000 0.819 404 L CB 2.139 44.014 42.059 -0.306 0.000 1.323 404 L HN 0.397 nan 8.230 nan 0.000 0.425 405 E N 2.229 122.089 120.200 -0.567 0.000 3.896 405 E HA 0.219 4.585 4.350 0.027 0.000 0.217 405 E C 0.273 176.744 176.600 -0.214 0.000 1.150 405 E CA -0.081 55.930 56.400 -0.649 0.000 1.338 405 E CB 0.573 29.342 29.700 -1.552 0.000 1.242 405 E HN 0.672 nan 8.360 nan 0.000 0.435 406 M N 0.332 119.768 119.600 -0.275 0.000 2.558 406 M HA -0.045 4.452 4.480 0.027 0.000 0.255 406 M C 1.837 178.093 176.300 -0.073 0.000 1.113 406 M CA 0.725 55.826 55.300 -0.332 0.000 1.097 406 M CB 0.185 32.312 32.600 -0.788 0.000 1.426 406 M HN 0.155 nan 8.290 nan 0.000 0.488 407 Q N 0.269 120.055 119.800 -0.024 0.000 2.200 407 Q HA -0.061 4.295 4.340 0.027 0.000 0.197 407 Q C 1.833 177.949 176.000 0.195 0.000 0.953 407 Q CA 1.378 57.215 55.803 0.056 0.000 0.851 407 Q CB -0.243 28.526 28.738 0.052 0.000 0.938 407 Q HN 0.605 nan 8.270 nan 0.000 0.488 408 W N 0.577 121.865 121.300 -0.021 0.000 2.444 408 W HA 0.073 4.750 4.660 0.029 0.000 0.308 408 W C 0.566 177.130 176.519 0.075 0.000 1.183 408 W CA 1.431 58.797 57.345 0.034 0.000 1.340 408 W CB -0.024 29.468 29.460 0.053 0.000 1.138 408 W HN 0.383 nan 8.180 nan 0.000 0.510 409 G N 1.194 110.104 108.800 0.182 0.000 2.295 409 G HA2 -0.325 3.651 3.960 0.027 0.000 0.287 409 G HA3 -0.325 3.651 3.960 0.027 0.000 0.287 409 G C -0.208 174.689 174.900 -0.005 0.000 1.055 409 G CA 0.354 45.547 45.100 0.154 0.000 0.922 409 G HN 0.573 nan 8.290 nan 0.000 0.503 410 H N 0.911 119.947 119.070 -0.056 0.000 2.846 410 H HA 0.383 4.956 4.556 0.027 0.000 0.278 410 H C 1.443 176.773 175.328 0.004 0.000 1.117 410 H CA -0.238 55.793 56.048 -0.028 0.000 1.406 410 H CB 0.004 29.906 29.762 0.234 0.000 1.445 410 H HN 0.640 nan 8.280 nan 0.000 0.469 411 I N 1.314 121.836 120.570 -0.079 0.000 2.815 411 I HA 0.176 4.362 4.170 0.027 0.000 0.291 411 I C 1.213 177.426 176.117 0.159 0.000 1.209 411 I CA 0.968 62.260 61.300 -0.013 0.000 1.431 411 I CB 0.473 38.378 38.000 -0.159 0.000 1.351 411 I HN 0.748 nan 8.210 nan 0.000 0.585 412 G N 4.602 113.491 108.800 0.148 0.000 2.258 412 G HA2 -0.348 3.628 3.960 0.027 0.000 0.233 412 G HA3 -0.348 3.628 3.960 0.027 0.000 0.233 412 G C 0.447 175.381 174.900 0.057 0.000 1.006 412 G CA 0.506 45.686 45.100 0.133 0.000 0.620 412 G HN 1.107 nan 8.290 nan 0.000 0.511 413 W N 1.979 123.158 121.300 -0.202 0.000 2.305 413 W HA -0.079 4.596 4.660 0.026 0.000 0.308 413 W C 2.404 178.775 176.519 -0.247 0.000 1.226 413 W CA 2.876 59.874 57.345 -0.578 0.000 1.253 413 W CB -0.691 28.437 29.460 -0.553 0.000 1.146 413 W HN 0.380 nan 8.180 nan 0.000 0.507 414 S N 0.065 115.662 115.700 -0.171 0.000 2.390 414 S HA -0.321 4.165 4.470 0.027 0.000 0.234 414 S C 1.704 176.073 174.600 -0.385 0.000 1.063 414 S CA 2.743 60.728 58.200 -0.359 0.000 1.108 414 S CB -0.916 62.295 63.200 0.019 0.000 0.975 414 S HN 0.205 nan 8.310 nan 0.000 0.442 415 V N 3.174 122.977 119.914 -0.186 0.000 2.255 415 V HA -0.054 4.083 4.120 0.027 0.000 0.243 415 V C -0.626 175.401 176.094 -0.112 0.000 1.038 415 V CA 1.788 64.033 62.300 -0.091 0.000 1.008 415 V CB -1.801 29.997 31.823 -0.042 0.000 0.645 415 V HN 0.448 nan 8.190 nan 0.000 0.449 416 P HA -0.130 nan 4.420 nan 0.000 0.218 416 P C 1.995 179.249 177.300 -0.077 0.000 1.149 416 P CA 1.854 64.938 63.100 -0.027 0.000 0.817 416 P CB -0.043 31.679 31.700 0.037 0.000 0.785 417 S N -0.146 115.346 115.700 -0.347 0.000 2.368 417 S HA -0.130 4.356 4.470 0.027 0.000 0.225 417 S C 2.082 176.496 174.600 -0.311 0.000 1.030 417 S CA 1.379 59.299 58.200 -0.467 0.000 0.999 417 S CB -0.956 61.485 63.200 -1.266 0.000 0.844 417 S HN 0.133 nan 8.310 nan 0.000 0.459 418 A N 0.463 123.110 122.820 -0.289 0.000 1.972 418 A HA 0.012 4.348 4.320 0.027 0.000 0.219 418 A C 1.932 179.463 177.584 -0.088 0.000 1.169 418 A CA 1.521 53.475 52.037 -0.139 0.000 0.635 418 A CB -0.953 18.004 19.000 -0.073 0.000 0.810 418 A HN 0.682 nan 8.150 nan 0.000 0.446 419 F N 1.210 121.061 119.950 -0.165 0.000 2.075 419 F HA -0.008 4.536 4.527 0.028 0.000 0.297 419 F C 2.271 178.013 175.800 -0.097 0.000 1.113 419 F CA 1.614 59.546 58.000 -0.114 0.000 1.218 419 F CB -0.887 38.070 39.000 -0.072 0.000 0.984 419 F HN 0.174 nan 8.300 nan 0.000 0.472 420 G N 0.362 108.976 108.800 -0.310 0.000 2.421 420 G HA2 -0.345 3.632 3.960 0.027 0.000 0.216 420 G HA3 -0.345 3.632 3.960 0.027 0.000 0.216 420 G C 1.694 176.509 174.900 -0.141 0.000 1.171 420 G CA 0.852 45.763 45.100 -0.316 0.000 0.775 420 G HN 0.428 nan 8.290 nan 0.000 0.543 421 N N 1.439 120.041 118.700 -0.164 0.000 2.104 421 N HA -0.121 4.635 4.740 0.027 0.000 0.190 421 N C 2.525 177.856 175.510 -0.298 0.000 1.024 421 N CA 1.525 54.491 53.050 -0.139 0.000 0.853 421 N CB -0.341 38.128 38.487 -0.030 0.000 1.008 421 N HN 0.249 nan 8.380 nan 0.000 0.424 422 A N 1.419 123.880 122.820 -0.598 0.000 1.877 422 A HA -0.115 4.221 4.320 0.027 0.000 0.216 422 A C 2.347 179.679 177.584 -0.421 0.000 1.186 422 A CA 1.287 52.819 52.037 -0.842 0.000 0.620 422 A CB -0.510 18.078 19.000 -0.686 0.000 0.822 422 A HN 0.270 nan 8.150 nan 0.000 0.443 423 M N -0.577 118.776 119.600 -0.412 0.000 2.144 423 M HA -0.170 4.326 4.480 0.027 0.000 0.260 423 M C 2.075 178.167 176.300 -0.347 0.000 1.067 423 M CA 1.700 56.745 55.300 -0.426 0.000 1.095 423 M CB -1.382 30.922 32.600 -0.495 0.000 1.365 423 M HN 0.513 nan 8.290 nan 0.000 0.406 424 G N -0.847 107.762 108.800 -0.320 0.000 2.985 424 G HA2 0.043 4.020 3.960 0.027 0.000 0.209 424 G HA3 0.043 4.020 3.960 0.027 0.000 0.209 424 G C 0.375 175.111 174.900 -0.273 0.000 1.165 424 G CA 0.622 45.391 45.100 -0.551 0.000 0.776 424 G HN 0.547 nan 8.290 nan 0.000 0.541 425 S N -0.839 114.783 115.700 -0.131 0.000 2.708 425 S HA 0.238 4.724 4.470 0.027 0.000 0.141 425 S C 0.446 175.097 174.600 0.086 0.000 1.349 425 S CA -0.593 57.609 58.200 0.002 0.000 1.206 425 S CB 0.444 63.681 63.200 0.062 0.000 1.603 425 S HN 0.234 nan 8.310 nan 0.000 0.415 426 Q N 1.609 121.419 119.800 0.018 0.000 2.436 426 Q HA -0.088 4.268 4.340 0.027 0.000 0.209 426 Q C 1.351 177.389 176.000 0.063 0.000 0.965 426 Q CA 1.395 57.216 55.803 0.030 0.000 0.910 426 Q CB -0.114 28.626 28.738 0.004 0.000 0.980 426 Q HN 0.881 nan 8.270 nan 0.000 0.491 427 D N 0.150 120.582 120.400 0.052 0.000 2.323 427 D HA -0.074 4.582 4.640 0.027 0.000 0.209 427 D C 0.464 176.784 176.300 0.033 0.000 0.973 427 D CA 0.302 54.323 54.000 0.035 0.000 0.874 427 D CB 0.160 40.970 40.800 0.016 0.000 0.930 427 D HN 0.091 nan 8.370 nan 0.000 0.521 428 R N 0.115 120.645 120.500 0.050 0.000 2.549 428 R HA 0.378 4.734 4.340 0.027 0.000 0.267 428 R C -0.300 175.991 176.300 -0.015 0.000 1.045 428 R CA -0.675 55.404 56.100 -0.035 0.000 1.115 428 R CB 0.740 30.942 30.300 -0.162 0.000 1.121 428 R HN -0.062 nan 8.270 nan 0.000 0.543 429 Q N 1.154 120.905 119.800 -0.082 0.000 2.279 429 Q HA 0.189 4.546 4.340 0.027 0.000 0.256 429 Q C -1.192 174.722 176.000 -0.143 0.000 0.937 429 Q CA 0.179 55.967 55.803 -0.027 0.000 0.933 429 Q CB 1.020 29.756 28.738 -0.003 0.000 1.189 429 Q HN 0.378 nan 8.270 nan 0.000 0.417 430 H N 0.352 119.444 119.070 0.037 0.000 2.504 430 H HA 0.570 5.142 4.556 0.026 0.000 0.322 430 H C -0.952 174.417 175.328 0.068 0.000 1.055 430 H CA -0.515 55.558 56.048 0.042 0.000 1.231 430 H CB 0.991 30.769 29.762 0.028 0.000 1.417 430 H HN 0.285 nan 8.280 nan 0.000 0.472 431 V N 4.771 124.781 119.914 0.159 0.000 2.540 431 V HA 0.374 4.510 4.120 0.027 0.000 0.302 431 V C -0.530 175.679 176.094 0.192 0.000 1.035 431 V CA -0.794 61.623 62.300 0.195 0.000 0.873 431 V CB 2.043 33.993 31.823 0.212 0.000 0.992 431 V HN 0.475 nan 8.190 nan 0.000 0.428 432 V N 5.505 125.549 119.914 0.217 0.000 2.540 432 V HA 0.536 4.672 4.120 0.027 0.000 0.302 432 V C -0.215 176.021 176.094 0.237 0.000 1.035 432 V CA -0.514 61.893 62.300 0.179 0.000 0.873 432 V CB 1.904 33.803 31.823 0.127 0.000 0.992 432 V HN 0.832 nan 8.190 nan 0.000 0.428 433 M N 5.102 124.812 119.600 0.183 0.000 2.114 433 M HA 0.649 5.145 4.480 0.027 0.000 0.332 433 M C -1.086 175.290 176.300 0.125 0.000 1.014 433 M CA -0.578 54.818 55.300 0.160 0.000 0.956 433 M CB 1.888 34.554 32.600 0.109 0.000 1.551 433 M HN 0.458 nan 8.290 nan 0.000 0.427 434 V N 2.872 122.844 119.914 0.097 0.000 2.808 434 V HA 0.826 4.962 4.120 0.027 0.000 0.308 434 V C -0.121 175.976 176.094 0.005 0.000 1.099 434 V CA -0.297 62.049 62.300 0.077 0.000 0.920 434 V CB 2.226 34.136 31.823 0.145 0.000 1.014 434 V HN 0.930 nan 8.190 nan 0.000 0.425 435 G N 3.394 112.191 108.800 -0.005 0.000 2.572 435 G HA2 0.302 4.278 3.960 0.027 0.000 0.261 435 G HA3 0.302 4.278 3.960 0.027 0.000 0.261 435 G C 0.655 175.501 174.900 -0.090 0.000 1.197 435 G CA 0.412 45.481 45.100 -0.052 0.000 0.870 435 G HN 0.926 nan 8.290 nan 0.000 0.548 436 D N 0.083 120.378 120.400 -0.175 0.000 2.144 436 D HA -0.096 4.560 4.640 0.027 0.000 0.200 436 D C 2.210 178.464 176.300 -0.077 0.000 0.978 436 D CA 1.336 55.156 54.000 -0.300 0.000 0.833 436 D CB -0.946 39.651 40.800 -0.338 0.000 0.961 436 D HN 0.475 nan 8.370 nan 0.000 0.470 437 G N 0.378 109.202 108.800 0.040 0.000 2.418 437 G HA2 -0.245 3.732 3.960 0.027 0.000 0.217 437 G HA3 -0.245 3.732 3.960 0.027 0.000 0.217 437 G C 1.856 176.849 174.900 0.155 0.000 1.158 437 G CA 1.161 46.392 45.100 0.219 0.000 0.771 437 G HN 0.364 nan 8.290 nan 0.000 0.545 438 S N 0.240 115.990 115.700 0.083 0.000 2.383 438 S HA -0.066 4.421 4.470 0.027 0.000 0.227 438 S C 1.880 176.545 174.600 0.109 0.000 1.026 438 S CA 0.871 59.109 58.200 0.062 0.000 0.981 438 S CB -0.357 62.870 63.200 0.044 0.000 0.818 438 S HN 0.382 nan 8.310 nan 0.000 0.472 439 F N 2.569 122.500 119.950 -0.032 0.000 2.216 439 F HA -0.121 4.422 4.527 0.027 0.000 0.300 439 F C 2.329 178.159 175.800 0.049 0.000 1.085 439 F CA 1.296 59.301 58.000 0.007 0.000 1.326 439 F CB -0.364 38.610 39.000 -0.043 0.000 1.027 439 F HN 0.192 nan 8.300 nan 0.000 0.497 440 Q N -0.271 119.534 119.800 0.007 0.000 2.226 440 Q HA -0.184 4.172 4.340 0.027 0.000 0.204 440 Q C 2.090 178.142 176.000 0.086 0.000 0.975 440 Q CA 1.344 57.084 55.803 -0.106 0.000 0.866 440 Q CB -0.257 28.297 28.738 -0.307 0.000 0.915 440 Q HN 0.411 nan 8.270 nan 0.000 0.440 441 L N -0.202 121.061 121.223 0.066 0.000 2.156 441 L HA -0.098 4.258 4.340 0.027 0.000 0.208 441 L C 2.023 178.951 176.870 0.097 0.000 1.095 441 L CA 1.745 56.653 54.840 0.113 0.000 0.770 441 L CB -0.036 42.106 42.059 0.137 0.000 0.914 441 L HN 0.285 nan 8.230 nan 0.000 0.439 442 T N -5.805 108.749 114.554 0.001 0.000 3.209 442 T HA 0.371 4.737 4.350 0.027 0.000 0.295 442 T C 1.524 176.112 174.700 -0.188 0.000 0.977 442 T CA 0.222 62.300 62.100 -0.036 0.000 0.922 442 T CB 0.151 69.016 68.868 -0.006 0.000 1.152 442 T HN 0.057 nan 8.240 nan 0.000 0.527 443 A N 3.031 125.667 122.820 -0.305 0.000 1.927 443 A HA -0.259 4.077 4.320 0.027 0.000 0.220 443 A C 2.469 179.942 177.584 -0.186 0.000 1.185 443 A CA 2.107 53.813 52.037 -0.552 0.000 0.639 443 A CB -0.772 18.119 19.000 -0.182 0.000 0.820 443 A HN 0.732 nan 8.150 nan 0.000 0.451 444 Q N -0.669 119.082 119.800 -0.081 0.000 2.368 444 Q HA -0.219 4.137 4.340 0.027 0.000 0.210 444 Q C 1.232 176.976 176.000 -0.428 0.000 0.982 444 Q CA 1.881 57.553 55.803 -0.220 0.000 0.884 444 Q CB -0.419 28.265 28.738 -0.090 0.000 0.933 444 Q HN 0.641 nan 8.270 nan 0.000 0.460 445 E N 0.667 120.679 120.200 -0.313 0.000 2.427 445 E HA 0.009 4.375 4.350 0.027 0.000 0.196 445 E C 1.751 178.111 176.600 -0.399 0.000 1.028 445 E CA 0.217 56.397 56.400 -0.366 0.000 0.864 445 E CB 0.088 29.624 29.700 -0.272 0.000 0.813 445 E HN 0.221 nan 8.360 nan 0.000 0.514 446 V N 0.285 120.018 119.914 -0.301 0.000 2.594 446 V HA -0.244 3.892 4.120 0.027 0.000 0.253 446 V C 2.180 178.093 176.094 -0.302 0.000 1.069 446 V CA 1.575 63.789 62.300 -0.143 0.000 1.082 446 V CB -0.698 31.245 31.823 0.200 0.000 0.680 446 V HN 0.376 nan 8.190 nan 0.000 0.469 447 A N -0.660 121.715 122.820 -0.741 0.000 1.969 447 A HA -0.193 4.143 4.320 0.027 0.000 0.218 447 A C 2.205 179.592 177.584 -0.327 0.000 1.169 447 A CA 1.274 52.922 52.037 -0.647 0.000 0.635 447 A CB -0.304 18.140 19.000 -0.927 0.000 0.810 447 A HN 0.510 nan 8.150 nan 0.000 0.445 448 Q N -0.458 119.109 119.800 -0.389 0.000 2.083 448 Q HA -0.062 4.294 4.340 0.027 0.000 0.198 448 Q C 2.121 178.091 176.000 -0.050 0.000 0.969 448 Q CA 1.523 57.133 55.803 -0.322 0.000 0.838 448 Q CB -0.584 27.661 28.738 -0.821 0.000 0.900 448 Q HN 0.783 nan 8.270 nan 0.000 0.436 449 M N -0.151 119.398 119.600 -0.085 0.000 2.108 449 M HA -0.171 4.325 4.480 0.027 0.000 0.261 449 M C 2.228 178.624 176.300 0.160 0.000 1.066 449 M CA 1.206 56.628 55.300 0.204 0.000 1.107 449 M CB -0.422 32.275 32.600 0.160 0.000 1.356 449 M HN -0.024 nan 8.290 nan 0.000 0.406 450 V N 0.099 120.053 119.914 0.066 0.000 2.261 450 V HA -0.282 3.854 4.120 0.027 0.000 0.246 450 V C 2.409 178.525 176.094 0.036 0.000 1.047 450 V CA 2.128 64.470 62.300 0.070 0.000 1.015 450 V CB -0.833 31.028 31.823 0.063 0.000 0.642 450 V HN 0.476 nan 8.190 nan 0.000 0.446 451 R N -0.627 119.841 120.500 -0.055 0.000 2.096 451 R HA -0.222 4.135 4.340 0.027 0.000 0.240 451 R C 1.980 178.137 176.300 -0.238 0.000 1.139 451 R CA 2.270 58.246 56.100 -0.206 0.000 0.952 451 R CB -0.299 29.768 30.300 -0.388 0.000 0.854 451 R HN 0.565 nan 8.270 nan 0.000 0.436 452 Y N 0.875 121.249 120.300 0.124 0.000 2.461 452 Y HA 0.195 4.762 4.550 0.028 0.000 0.277 452 Y C -0.185 175.781 175.900 0.109 0.000 1.182 452 Y CA 0.095 58.273 58.100 0.130 0.000 1.276 452 Y CB 0.219 38.792 38.460 0.189 0.000 1.087 452 Y HN 0.178 nan 8.280 nan 0.000 0.519 453 E N 0.277 120.597 120.200 0.201 0.000 2.320 453 E HA -0.232 4.134 4.350 0.027 0.000 0.234 453 E C -0.945 175.742 176.600 0.145 0.000 1.183 453 E CA 0.175 56.669 56.400 0.157 0.000 0.713 453 E CB -1.865 27.912 29.700 0.128 0.000 1.226 453 E HN 0.432 nan 8.360 nan 0.000 0.382 454 L N 1.534 122.856 121.223 0.166 0.000 2.257 454 L HA 0.293 4.649 4.340 0.027 0.000 0.290 454 L C -1.560 175.376 176.870 0.110 0.000 1.044 454 L CA -1.998 52.918 54.840 0.127 0.000 0.810 454 L CB 0.633 42.777 42.059 0.141 0.000 1.193 454 L HN -0.106 nan 8.230 nan 0.000 0.425 455 P HA 0.062 nan 4.420 nan 0.000 0.225 455 P C -0.189 177.167 177.300 0.093 0.000 1.768 455 P CA -0.053 63.097 63.100 0.084 0.000 0.943 455 P CB 0.008 31.750 31.700 0.070 0.000 1.936 456 V N 2.722 122.695 119.914 0.098 0.000 2.583 456 V HA 0.140 4.277 4.120 0.027 0.000 0.287 456 V C 1.063 177.198 176.094 0.070 0.000 1.051 456 V CA -0.310 62.055 62.300 0.109 0.000 1.010 456 V CB 0.927 32.815 31.823 0.108 0.000 0.988 456 V HN 0.203 nan 8.190 nan 0.000 0.478 457 I N 6.065 126.670 120.570 0.058 0.000 2.304 457 I HA 0.379 4.565 4.170 0.027 0.000 0.291 457 I C -0.258 175.817 176.117 -0.069 0.000 1.018 457 I CA 0.007 61.278 61.300 -0.049 0.000 1.260 457 I CB 0.850 38.811 38.000 -0.065 0.000 1.390 457 I HN 0.434 nan 8.210 nan 0.000 0.475 458 I N 6.674 127.162 120.570 -0.136 0.000 2.330 458 I HA 0.252 4.438 4.170 0.027 0.000 0.289 458 I C -0.635 175.340 176.117 -0.237 0.000 1.001 458 I CA -0.353 60.903 61.300 -0.074 0.000 1.193 458 I CB 0.668 38.677 38.000 0.015 0.000 1.345 458 I HN 0.350 nan 8.210 nan 0.000 0.461 459 F N 6.892 126.840 119.950 -0.003 0.000 2.368 459 F HA 0.233 4.776 4.527 0.027 0.000 0.362 459 F C 0.167 175.917 175.800 -0.084 0.000 1.137 459 F CA -0.408 57.571 58.000 -0.034 0.000 1.161 459 F CB 0.655 39.649 39.000 -0.010 0.000 1.265 459 F HN 0.301 nan 8.300 nan 0.000 0.530 460 L N 6.264 127.456 121.223 -0.051 0.000 2.261 460 L HA 0.344 4.700 4.340 0.027 0.000 0.289 460 L C -0.481 176.292 176.870 -0.161 0.000 1.059 460 L CA -0.317 54.394 54.840 -0.214 0.000 0.816 460 L CB 0.348 42.124 42.059 -0.472 0.000 1.191 460 L HN 0.366 nan 8.230 nan 0.000 0.431 461 I N 5.215 125.709 120.570 -0.126 0.000 2.260 461 I HA 0.101 4.287 4.170 0.027 0.000 0.297 461 I C 0.499 176.528 176.117 -0.147 0.000 1.143 461 I CA -0.211 61.037 61.300 -0.088 0.000 1.271 461 I CB -0.320 37.658 38.000 -0.038 0.000 1.461 461 I HN 0.524 nan 8.210 nan 0.000 0.530 462 N N 5.946 124.554 118.700 -0.153 0.000 2.555 462 N HA 0.044 4.801 4.740 0.027 0.000 0.244 462 N C 0.536 176.019 175.510 -0.045 0.000 1.114 462 N CA -0.101 52.868 53.050 -0.134 0.000 0.963 462 N CB 0.191 38.632 38.487 -0.077 0.000 1.276 462 N HN 0.450 nan 8.380 nan 0.000 0.510 463 N N 2.244 120.919 118.700 -0.043 0.000 2.204 463 N HA 0.117 4.873 4.740 0.027 0.000 0.219 463 N C -0.508 174.999 175.510 -0.005 0.000 1.151 463 N CA -0.281 52.759 53.050 -0.017 0.000 0.867 463 N CB 0.280 38.755 38.487 -0.020 0.000 1.043 463 N HN 0.225 nan 8.380 nan 0.000 0.516 464 R N -0.523 119.978 120.500 0.001 0.000 3.418 464 R HA -0.058 4.298 4.340 0.027 0.000 0.274 464 R C 0.283 176.565 176.300 -0.031 0.000 1.108 464 R CA 0.843 56.955 56.100 0.019 0.000 0.741 464 R CB -2.241 28.092 30.300 0.055 0.000 1.223 464 R HN 0.733 nan 8.270 nan 0.000 0.434 465 G N -1.176 107.567 108.800 -0.096 0.000 2.362 465 G HA2 0.107 4.084 3.960 0.027 0.000 0.288 465 G HA3 0.107 4.084 3.960 0.027 0.000 0.288 465 G C -1.449 173.385 174.900 -0.111 0.000 1.305 465 G CA -0.869 44.089 45.100 -0.238 0.000 0.910 465 G HN 0.009 nan 8.290 nan 0.000 0.518 466 Y N 1.470 121.657 120.300 -0.187 0.000 2.570 466 Y HA 0.355 4.922 4.550 0.027 0.000 0.336 466 Y C 2.008 177.821 175.900 -0.145 0.000 1.284 466 Y CA -0.726 57.289 58.100 -0.141 0.000 1.761 466 Y CB -0.120 38.276 38.460 -0.106 0.000 1.724 466 Y HN 0.303 nan 8.280 nan 0.000 0.455 467 V N 2.133 122.058 119.914 0.019 0.000 2.343 467 V HA -0.324 3.812 4.120 0.027 0.000 0.247 467 V C 2.342 178.432 176.094 -0.007 0.000 1.051 467 V CA 1.836 64.123 62.300 -0.022 0.000 1.036 467 V CB -0.491 31.317 31.823 -0.026 0.000 0.654 467 V HN 0.739 nan 8.190 nan 0.000 0.451 468 I N -0.264 120.307 120.570 0.001 0.000 2.502 468 I HA -0.296 3.890 4.170 0.027 0.000 0.258 468 I C 2.284 178.425 176.117 0.039 0.000 1.172 468 I CA 1.781 63.088 61.300 0.013 0.000 1.430 468 I CB 0.159 38.159 38.000 0.001 0.000 1.086 468 I HN 0.336 nan 8.210 nan 0.000 0.440 469 E N 0.377 120.606 120.200 0.049 0.000 2.201 469 E HA 0.062 4.428 4.350 0.027 0.000 0.193 469 E C 1.945 178.595 176.600 0.083 0.000 0.957 469 E CA 0.553 57.007 56.400 0.089 0.000 0.858 469 E CB -0.060 29.720 29.700 0.134 0.000 0.816 469 E HN 0.485 nan 8.360 nan 0.000 0.475 470 I N 0.617 121.196 120.570 0.015 0.000 2.264 470 I HA -0.279 3.907 4.170 0.027 0.000 0.248 470 I C 2.167 178.285 176.117 0.003 0.000 1.111 470 I CA 1.269 62.553 61.300 -0.027 0.000 1.382 470 I CB -0.239 37.699 38.000 -0.102 0.000 1.060 470 I HN 0.112 nan 8.210 nan 0.000 0.418 471 A N 0.050 122.869 122.820 -0.001 0.000 2.014 471 A HA -0.083 4.253 4.320 0.027 0.000 0.218 471 A C 2.050 179.633 177.584 -0.002 0.000 1.163 471 A CA 1.457 53.487 52.037 -0.011 0.000 0.652 471 A CB -0.283 18.697 19.000 -0.033 0.000 0.808 471 A HN 0.320 nan 8.150 nan 0.000 0.449 472 I N -2.689 117.898 120.570 0.029 0.000 3.194 472 I HA 0.170 4.356 4.170 0.027 0.000 0.271 472 I C 0.592 176.777 176.117 0.112 0.000 1.150 472 I CA 0.684 62.011 61.300 0.045 0.000 1.440 472 I CB -0.074 37.949 38.000 0.039 0.000 1.276 472 I HN 0.461 nan 8.210 nan 0.000 0.457 473 H N -0.024 119.069 119.070 0.038 0.000 3.059 473 H HA 0.299 4.871 4.556 0.027 0.000 0.302 473 H C -1.287 174.117 175.328 0.126 0.000 1.264 473 H CA -0.580 55.512 56.048 0.074 0.000 1.615 473 H CB 0.290 30.100 29.762 0.080 0.000 1.795 473 H HN -0.080 nan 8.280 nan 0.000 0.556 474 D N 2.397 122.768 120.400 -0.048 0.000 2.255 474 D HA 0.586 5.242 4.640 0.027 0.000 0.249 474 D C 0.244 176.468 176.300 -0.126 0.000 1.078 474 D CA 0.679 54.666 54.000 -0.022 0.000 0.896 474 D CB 1.328 42.123 40.800 -0.009 0.000 1.194 474 D HN 0.753 nan 8.370 nan 0.000 0.429 475 G N 1.904 110.509 108.800 -0.324 0.000 2.576 475 G HA2 0.294 4.270 3.960 0.027 0.000 0.290 475 G HA3 0.294 4.270 3.960 0.027 0.000 0.290 475 G C -2.314 172.158 174.900 -0.713 0.000 1.442 475 G CA -0.912 43.745 45.100 -0.738 0.000 0.792 475 G HN 0.257 nan 8.290 nan 0.000 0.491 476 P HA -0.126 nan 4.420 nan 0.000 0.221 476 P C 1.133 178.418 177.300 -0.025 0.000 1.145 476 P CA 1.218 64.246 63.100 -0.120 0.000 0.795 476 P CB -0.165 31.488 31.700 -0.078 0.000 0.775 477 Y N -1.338 119.052 120.300 0.150 0.000 2.616 477 Y HA 0.119 4.685 4.550 0.027 0.000 0.296 477 Y C 1.584 177.520 175.900 0.060 0.000 1.154 477 Y CA -0.018 58.149 58.100 0.113 0.000 1.325 477 Y CB -2.008 36.526 38.460 0.123 0.000 1.007 477 Y HN -0.102 nan 8.280 nan 0.000 0.542 478 N N -0.503 118.199 118.700 0.003 0.000 2.336 478 N HA 0.001 4.757 4.740 0.027 0.000 0.189 478 N C -1.113 173.963 175.510 -0.723 0.000 1.113 478 N CA 0.237 53.133 53.050 -0.256 0.000 0.858 478 N CB -0.081 38.190 38.487 -0.359 0.000 0.970 478 N HN 0.390 nan 8.380 nan 0.000 0.471 479 Y N 0.936 121.094 120.300 -0.236 0.000 2.328 479 Y HA 0.450 5.017 4.550 0.027 0.000 0.337 479 Y C 0.590 176.358 175.900 -0.219 0.000 0.966 479 Y CA -1.149 56.821 58.100 -0.217 0.000 1.136 479 Y CB 0.889 39.269 38.460 -0.133 0.000 1.170 479 Y HN -0.128 nan 8.280 nan 0.000 0.470 480 I N -0.491 119.997 120.570 -0.137 0.000 2.910 480 I HA 0.670 4.857 4.170 0.027 0.000 0.310 480 I C -0.480 175.625 176.117 -0.019 0.000 1.043 480 I CA -1.697 59.529 61.300 -0.123 0.000 1.053 480 I CB 1.608 39.461 38.000 -0.245 0.000 1.242 480 I HN 0.242 nan 8.210 nan 0.000 0.452 481 K N 3.220 123.638 120.400 0.029 0.000 2.436 481 K HA 0.070 4.406 4.320 0.027 0.000 0.282 481 K C -0.240 176.409 176.600 0.082 0.000 1.044 481 K CA 0.334 56.678 56.287 0.095 0.000 1.028 481 K CB -0.011 32.600 32.500 0.185 0.000 0.919 481 K HN 0.688 nan 8.250 nan 0.000 0.474 482 N N 3.564 122.320 118.700 0.093 0.000 2.479 482 N HA 0.120 4.876 4.740 0.027 0.000 0.257 482 N C -1.146 174.466 175.510 0.170 0.000 1.232 482 N CA 0.033 53.137 53.050 0.090 0.000 0.920 482 N CB 0.336 38.880 38.487 0.094 0.000 1.105 482 N HN 0.342 nan 8.380 nan 0.000 0.444 483 W N 0.378 121.425 121.300 -0.423 0.000 2.736 483 W HA 0.260 4.936 4.660 0.027 0.000 0.355 483 W C -0.165 175.985 176.519 -0.614 0.000 1.102 483 W CA -0.832 56.137 57.345 -0.627 0.000 1.164 483 W CB 0.195 29.095 29.460 -0.934 0.000 1.422 483 W HN 0.423 nan 8.180 nan 0.000 0.572 484 D N 0.805 121.117 120.400 -0.147 0.000 2.517 484 D HA 0.071 4.727 4.640 0.027 0.000 0.220 484 D C 0.643 176.903 176.300 -0.067 0.000 1.158 484 D CA -0.051 53.897 54.000 -0.088 0.000 0.992 484 D CB -0.171 40.591 40.800 -0.063 0.000 1.058 484 D HN 0.175 nan 8.370 nan 0.000 0.516 485 Y N 2.010 122.384 120.300 0.123 0.000 2.181 485 Y HA -0.129 4.437 4.550 0.027 0.000 0.288 485 Y C 2.486 178.390 175.900 0.006 0.000 1.146 485 Y CA 1.187 59.338 58.100 0.085 0.000 1.164 485 Y CB -0.465 37.957 38.460 -0.063 0.000 0.982 485 Y HN 0.479 nan 8.280 nan 0.000 0.515 486 A N 0.287 123.185 122.820 0.129 0.000 1.902 486 A HA -0.114 4.222 4.320 0.027 0.000 0.217 486 A C 2.545 180.139 177.584 0.017 0.000 1.181 486 A CA 1.719 53.788 52.037 0.053 0.000 0.623 486 A CB -1.474 17.547 19.000 0.035 0.000 0.818 486 A HN 0.470 nan 8.150 nan 0.000 0.443 487 G N -0.731 108.065 108.800 -0.007 0.000 2.509 487 G HA2 -0.031 3.946 3.960 0.027 0.000 0.218 487 G HA3 -0.031 3.946 3.960 0.027 0.000 0.218 487 G C 1.329 176.165 174.900 -0.107 0.000 1.124 487 G CA 0.951 46.019 45.100 -0.053 0.000 0.776 487 G HN 0.454 nan 8.290 nan 0.000 0.547 488 L N 0.142 121.301 121.223 -0.106 0.000 2.275 488 L HA 0.140 4.496 4.340 0.027 0.000 0.215 488 L C 2.557 179.220 176.870 -0.345 0.000 1.119 488 L CA 1.084 55.767 54.840 -0.262 0.000 0.790 488 L CB -0.224 41.767 42.059 -0.114 0.000 0.919 488 L HN 0.073 nan 8.230 nan 0.000 0.443 489 M N -0.962 118.581 119.600 -0.095 0.000 2.086 489 M HA -0.156 4.340 4.480 0.027 0.000 0.261 489 M C 2.109 178.395 176.300 -0.024 0.000 1.067 489 M CA 1.400 56.706 55.300 0.010 0.000 1.116 489 M CB -1.018 31.621 32.600 0.064 0.000 1.348 489 M HN 0.227 nan 8.290 nan 0.000 0.407 490 E N 0.035 120.199 120.200 -0.061 0.000 2.153 490 E HA -0.110 4.257 4.350 0.027 0.000 0.194 490 E C 2.256 178.806 176.600 -0.083 0.000 0.988 490 E CA 0.886 57.253 56.400 -0.055 0.000 0.811 490 E CB -0.434 29.233 29.700 -0.056 0.000 0.746 490 E HN 0.299 nan 8.360 nan 0.000 0.466 491 V N 0.780 120.583 119.914 -0.185 0.000 2.295 491 V HA -0.243 3.893 4.120 0.027 0.000 0.246 491 V C 2.057 178.096 176.094 -0.092 0.000 1.049 491 V CA 1.644 63.811 62.300 -0.220 0.000 1.024 491 V CB -0.566 31.017 31.823 -0.400 0.000 0.648 491 V HN 0.137 nan 8.190 nan 0.000 0.447 492 F N 0.518 120.463 119.950 -0.008 0.000 2.325 492 F HA -0.015 4.528 4.527 0.027 0.000 0.299 492 F C 2.255 178.042 175.800 -0.022 0.000 1.090 492 F CA 0.482 58.476 58.000 -0.010 0.000 1.392 492 F CB -1.155 37.852 39.000 0.011 0.000 1.053 492 F HN 0.207 nan 8.300 nan 0.000 0.521 493 N N 0.760 119.539 118.700 0.131 0.000 2.106 493 N HA -0.085 4.671 4.740 0.027 0.000 0.188 493 N C 1.463 176.979 175.510 0.010 0.000 1.029 493 N CA 1.434 54.510 53.050 0.043 0.000 0.848 493 N CB -0.678 37.809 38.487 -0.001 0.000 1.007 493 N HN 0.102 nan 8.380 nan 0.000 0.423 494 A N -0.517 122.305 122.820 0.004 0.000 2.704 494 A HA -0.092 4.244 4.320 0.027 0.000 0.299 494 A C 1.344 178.913 177.584 -0.026 0.000 1.507 494 A CA 1.825 53.856 52.037 -0.010 0.000 0.776 494 A CB -1.954 17.049 19.000 0.006 0.000 1.027 494 A HN 0.911 nan 8.150 nan 0.000 0.475 495 G N -2.276 106.500 108.800 -0.040 0.000 2.184 495 G HA2 -0.349 3.627 3.960 0.027 0.000 0.264 495 G HA3 -0.349 3.627 3.960 0.027 0.000 0.264 495 G C 0.581 175.436 174.900 -0.075 0.000 0.975 495 G CA 1.455 46.524 45.100 -0.052 0.000 0.642 495 G HN 0.885 nan 8.290 nan 0.000 0.536 496 E N -0.085 120.067 120.200 -0.081 0.000 2.121 496 E HA 0.304 4.670 4.350 0.027 0.000 0.194 496 E C 1.987 178.467 176.600 -0.199 0.000 0.940 496 E CA 0.192 56.532 56.400 -0.101 0.000 0.884 496 E CB -0.005 29.662 29.700 -0.056 0.000 0.874 496 E HN 0.434 nan 8.360 nan 0.000 0.471 497 G N -0.295 108.416 108.800 -0.148 0.000 2.651 497 G HA2 0.024 4.001 3.960 0.027 0.000 0.260 497 G HA3 0.024 4.001 3.960 0.027 0.000 0.260 497 G C -0.526 174.192 174.900 -0.304 0.000 1.216 497 G CA -0.168 44.843 45.100 -0.148 0.000 0.913 497 G HN 0.301 nan 8.290 nan 0.000 0.535 498 H N -1.167 117.929 119.070 0.042 0.000 2.467 498 H HA 0.359 4.931 4.556 0.027 0.000 0.275 498 H C 1.272 176.630 175.328 0.049 0.000 1.131 498 H CA 0.062 56.134 56.048 0.041 0.000 0.989 498 H CB 0.476 30.261 29.762 0.037 0.000 1.696 498 H HN 0.605 nan 8.280 nan 0.000 0.574 499 G N 0.612 109.484 108.800 0.121 0.000 2.483 499 G HA2 0.369 4.345 3.960 0.027 0.000 0.248 499 G HA3 0.369 4.345 3.960 0.027 0.000 0.248 499 G C -0.543 174.408 174.900 0.085 0.000 1.248 499 G CA -0.414 44.754 45.100 0.113 0.000 0.838 499 G HN 0.266 nan 8.290 nan 0.000 0.566 500 L N 1.077 122.343 121.223 0.072 0.000 2.365 500 L HA 0.667 5.023 4.340 0.027 0.000 0.273 500 L C 0.441 177.330 176.870 0.033 0.000 1.000 500 L CA -0.882 53.985 54.840 0.045 0.000 0.819 500 L CB 2.284 44.364 42.059 0.034 0.000 1.284 500 L HN 0.662 nan 8.230 nan 0.000 0.418 501 G N 4.706 113.519 108.800 0.022 0.000 2.557 501 G HA2 0.679 4.656 3.960 0.027 0.000 0.310 501 G HA3 0.679 4.656 3.960 0.027 0.000 0.310 501 G C -1.267 173.635 174.900 0.003 0.000 1.328 501 G CA -0.305 44.803 45.100 0.013 0.000 0.945 501 G HN 0.381 nan 8.290 nan 0.000 0.494 502 L N 1.382 122.599 121.223 -0.009 0.000 2.388 502 L HA 0.564 4.920 4.340 0.027 0.000 0.264 502 L C -0.043 176.824 176.870 -0.005 0.000 0.998 502 L CA -1.011 53.824 54.840 -0.008 0.000 0.817 502 L CB 2.865 44.914 42.059 -0.015 0.000 1.338 502 L HN 0.290 nan 8.230 nan 0.000 0.414 503 K N 1.583 121.986 120.400 0.005 0.000 2.185 503 K HA 0.742 5.078 4.320 0.027 0.000 0.269 503 K C -0.764 175.841 176.600 0.007 0.000 0.987 503 K CA -0.509 55.785 56.287 0.011 0.000 0.865 503 K CB 2.003 34.515 32.500 0.019 0.000 1.090 503 K HN 0.666 nan 8.250 nan 0.000 0.450 504 A N 2.129 124.953 122.820 0.007 0.000 2.304 504 A HA 0.362 4.698 4.320 0.027 0.000 0.314 504 A C 0.311 177.894 177.584 -0.001 0.000 1.187 504 A CA -0.393 51.645 52.037 0.003 0.000 0.810 504 A CB 1.343 20.347 19.000 0.007 0.000 1.183 504 A HN 0.715 nan 8.150 nan 0.000 0.487 505 T N 0.695 115.247 114.554 -0.004 0.000 2.958 505 T HA 0.241 4.607 4.350 0.027 0.000 0.256 505 T C 0.610 175.305 174.700 -0.008 0.000 0.983 505 T CA 1.284 63.383 62.100 -0.002 0.000 0.924 505 T CB 0.046 68.917 68.868 0.006 0.000 1.136 505 T HN 1.025 nan 8.240 nan 0.000 0.506 506 T N -1.283 113.262 114.554 -0.014 0.000 2.883 506 T HA 0.519 4.885 4.350 0.027 0.000 0.296 506 T C -2.556 172.119 174.700 -0.042 0.000 1.117 506 T CA -1.592 60.498 62.100 -0.016 0.000 1.006 506 T CB 1.718 70.586 68.868 0.000 0.000 1.191 506 T HN -0.357 nan 8.240 nan 0.000 0.508 507 P HA -0.036 nan 4.420 nan 0.000 0.218 507 P C 1.475 178.782 177.300 0.011 0.000 1.149 507 P CA 0.863 63.919 63.100 -0.073 0.000 0.817 507 P CB 0.154 31.879 31.700 0.041 0.000 0.785 508 K N 0.383 120.807 120.400 0.041 0.000 2.057 508 K HA -0.202 4.134 4.320 0.027 0.000 0.207 508 K C 2.071 178.697 176.600 0.042 0.000 1.049 508 K CA 1.503 57.826 56.287 0.059 0.000 0.931 508 K CB -0.268 32.258 32.500 0.043 0.000 0.714 508 K HN 0.068 nan 8.250 nan 0.000 0.440 509 E N 0.295 120.505 120.200 0.016 0.000 2.204 509 E HA -0.169 4.197 4.350 0.027 0.000 0.194 509 E C 1.944 178.550 176.600 0.010 0.000 0.989 509 E CA 0.512 56.919 56.400 0.013 0.000 0.824 509 E CB 0.082 29.785 29.700 0.005 0.000 0.756 509 E HN 0.167 nan 8.360 nan 0.000 0.477 510 L N 0.101 121.310 121.223 -0.024 0.000 2.131 510 L HA -0.071 4.285 4.340 0.027 0.000 0.206 510 L C 2.330 179.240 176.870 0.065 0.000 1.087 510 L CA 1.726 56.547 54.840 -0.031 0.000 0.767 510 L CB -0.667 41.266 42.059 -0.211 0.000 0.917 510 L HN 0.005 nan 8.230 nan 0.000 0.441 511 T N -0.911 113.714 114.554 0.118 0.000 2.746 511 T HA -0.185 4.182 4.350 0.027 0.000 0.267 511 T C 1.734 176.514 174.700 0.132 0.000 1.039 511 T CA 1.797 64.034 62.100 0.228 0.000 1.142 511 T CB -0.054 68.968 68.868 0.256 0.000 0.866 511 T HN 0.467 nan 8.240 nan 0.000 0.444 512 E N 0.341 120.593 120.200 0.087 0.000 2.072 512 E HA 0.004 4.370 4.350 0.027 0.000 0.191 512 E C 2.436 179.068 176.600 0.053 0.000 0.985 512 E CA 0.964 57.400 56.400 0.060 0.000 0.801 512 E CB -0.197 29.529 29.700 0.043 0.000 0.750 512 E HN 0.507 nan 8.360 nan 0.000 0.452 513 A N 0.846 123.696 122.820 0.050 0.000 1.933 513 A HA -0.167 4.169 4.320 0.027 0.000 0.218 513 A C 2.135 179.739 177.584 0.034 0.000 1.175 513 A CA 1.068 53.122 52.037 0.029 0.000 0.628 513 A CB -0.525 18.484 19.000 0.015 0.000 0.814 513 A HN 0.162 nan 8.150 nan 0.000 0.444 514 I N -0.347 120.275 120.570 0.088 0.000 2.315 514 I HA -0.234 3.953 4.170 0.027 0.000 0.248 514 I C 2.925 179.089 176.117 0.079 0.000 1.117 514 I CA 0.864 62.231 61.300 0.112 0.000 1.404 514 I CB -0.289 37.846 38.000 0.225 0.000 1.071 514 I HN 0.350 nan 8.210 nan 0.000 0.419 515 A N 0.947 123.810 122.820 0.073 0.000 1.902 515 A HA -0.187 4.149 4.320 0.027 0.000 0.217 515 A C 2.411 180.018 177.584 0.039 0.000 1.181 515 A CA 1.353 53.422 52.037 0.054 0.000 0.623 515 A CB -0.452 18.578 19.000 0.050 0.000 0.818 515 A HN 0.257 nan 8.150 nan 0.000 0.443 516 R N -0.507 120.012 120.500 0.032 0.000 2.081 516 R HA -0.080 4.276 4.340 0.027 0.000 0.235 516 R C 2.461 178.772 176.300 0.019 0.000 1.131 516 R CA 1.326 57.440 56.100 0.023 0.000 0.960 516 R CB -0.843 29.468 30.300 0.018 0.000 0.856 516 R HN 0.535 nan 8.270 nan 0.000 0.436 517 A N 1.721 124.547 122.820 0.010 0.000 1.902 517 A HA -0.176 4.160 4.320 0.027 0.000 0.217 517 A C 2.059 179.654 177.584 0.018 0.000 1.181 517 A CA 1.438 53.474 52.037 -0.002 0.000 0.623 517 A CB -0.291 18.683 19.000 -0.043 0.000 0.818 517 A HN 0.232 nan 8.150 nan 0.000 0.443 518 K N -0.307 120.112 120.400 0.031 0.000 2.147 518 K HA -0.022 4.314 4.320 0.027 0.000 0.205 518 K C 2.002 178.620 176.600 0.029 0.000 1.049 518 K CA 1.047 57.356 56.287 0.036 0.000 0.936 518 K CB -0.249 32.276 32.500 0.042 0.000 0.722 518 K HN 0.446 nan 8.250 nan 0.000 0.446 519 A N 1.232 124.067 122.820 0.026 0.000 2.167 519 A HA -0.049 4.287 4.320 0.027 0.000 0.214 519 A C 0.784 178.380 177.584 0.019 0.000 1.151 519 A CA 0.354 52.404 52.037 0.021 0.000 0.735 519 A CB -0.208 18.805 19.000 0.021 0.000 0.802 519 A HN 0.164 nan 8.150 nan 0.000 0.467 520 N N 0.884 119.599 118.700 0.024 0.000 2.555 520 N HA 0.137 4.894 4.740 0.027 0.000 0.244 520 N C 0.991 176.517 175.510 0.027 0.000 1.114 520 N CA 0.730 53.798 53.050 0.029 0.000 0.963 520 N CB 0.526 39.037 38.487 0.040 0.000 1.276 520 N HN 0.267 nan 8.380 nan 0.000 0.510 521 T N -0.190 114.369 114.554 0.009 0.000 3.065 521 T HA 0.158 4.525 4.350 0.027 0.000 0.252 521 T C 1.121 175.823 174.700 0.004 0.000 1.099 521 T CA 0.436 62.540 62.100 0.007 0.000 1.063 521 T CB 0.109 68.974 68.868 -0.005 0.000 0.948 521 T HN 0.344 nan 8.240 nan 0.000 0.506 522 R N 0.464 120.958 120.500 -0.010 0.000 2.596 522 R HA 0.521 4.877 4.340 0.027 0.000 0.369 522 R C 0.432 176.789 176.300 0.094 0.000 1.042 522 R CA -0.229 55.865 56.100 -0.010 0.000 1.120 522 R CB 1.275 31.459 30.300 -0.193 0.000 1.353 522 R HN 0.470 nan 8.270 nan 0.000 0.564 523 G N 1.113 109.977 108.800 0.107 0.000 2.523 523 G HA2 0.260 4.236 3.960 0.027 0.000 0.291 523 G HA3 0.260 4.236 3.960 0.027 0.000 0.291 523 G C -3.197 171.767 174.900 0.108 0.000 1.450 523 G CA -0.955 44.225 45.100 0.133 0.000 0.790 523 G HN -0.270 nan 8.290 nan 0.000 0.496 524 P HA 0.353 nan 4.420 nan 0.000 0.274 524 P C -0.502 176.842 177.300 0.073 0.000 1.231 524 P CA 0.102 63.260 63.100 0.096 0.000 0.790 524 P CB 1.205 32.977 31.700 0.120 0.000 0.951 525 T N 2.743 117.315 114.554 0.030 0.000 2.815 525 T HA 0.404 4.770 4.350 0.027 0.000 0.289 525 T C -0.156 174.504 174.700 -0.066 0.000 1.000 525 T CA -0.436 61.657 62.100 -0.012 0.000 0.958 525 T CB 0.560 69.403 68.868 -0.042 0.000 0.944 525 T HN 0.285 nan 8.240 nan 0.000 0.442 526 L N 4.921 126.120 121.223 -0.039 0.000 2.264 526 L HA 0.608 4.964 4.340 0.027 0.000 0.289 526 L C -0.939 175.856 176.870 -0.124 0.000 1.044 526 L CA -0.744 54.046 54.840 -0.083 0.000 0.807 526 L CB 0.341 42.388 42.059 -0.020 0.000 1.192 526 L HN 0.644 nan 8.230 nan 0.000 0.425 527 I N 5.129 125.571 120.570 -0.213 0.000 2.330 527 I HA 0.213 4.400 4.170 0.027 0.000 0.286 527 I C 0.117 176.173 176.117 -0.102 0.000 1.025 527 I CA -0.299 60.901 61.300 -0.166 0.000 1.197 527 I CB 1.348 39.197 38.000 -0.252 0.000 1.358 527 I HN 0.604 nan 8.210 nan 0.000 0.467 528 E N 6.313 126.478 120.200 -0.059 0.000 2.029 528 E HA 0.148 4.514 4.350 0.027 0.000 0.276 528 E C -1.005 175.588 176.600 -0.012 0.000 1.163 528 E CA -0.484 55.889 56.400 -0.044 0.000 0.909 528 E CB 0.456 30.176 29.700 0.034 0.000 1.046 528 E HN 0.619 nan 8.360 nan 0.000 0.406 529 C N 5.031 124.325 119.300 -0.011 0.000 2.373 529 C HA 0.213 4.689 4.460 0.027 0.000 0.354 529 C C 0.276 175.261 174.990 -0.008 0.000 1.249 529 C CA -0.629 58.396 59.018 0.011 0.000 1.784 529 C CB -0.032 27.737 27.740 0.048 0.000 2.408 529 C HN 0.688 nan 8.230 nan 0.000 0.542 530 Q N 3.229 123.030 119.800 0.001 0.000 2.360 530 Q HA 0.653 5.009 4.340 0.027 0.000 0.254 530 Q C -0.182 175.817 176.000 -0.001 0.000 0.975 530 Q CA 0.128 55.935 55.803 0.005 0.000 0.912 530 Q CB 0.905 29.654 28.738 0.020 0.000 1.212 530 Q HN 0.831 nan 8.270 nan 0.000 0.452 531 I N -1.989 118.579 120.570 -0.004 0.000 3.002 531 I HA 0.589 4.775 4.170 0.027 0.000 0.310 531 I C -0.540 175.577 176.117 0.000 0.000 1.087 531 I CA -1.348 59.950 61.300 -0.005 0.000 1.017 531 I CB 1.957 39.952 38.000 -0.010 0.000 1.226 531 I HN 0.262 nan 8.210 nan 0.000 0.443 532 D N 1.568 121.968 120.400 0.001 0.000 2.372 532 D HA 0.118 4.774 4.640 0.027 0.000 0.243 532 D C 1.241 177.543 176.300 0.004 0.000 1.121 532 D CA -0.079 53.924 54.000 0.005 0.000 0.898 532 D CB 1.282 42.085 40.800 0.004 0.000 1.202 532 D HN 0.665 nan 8.370 nan 0.000 0.428 533 R N 1.668 122.175 120.500 0.011 0.000 2.200 533 R HA -0.135 4.221 4.340 0.027 0.000 0.234 533 R C 1.348 177.650 176.300 0.003 0.000 1.127 533 R CA 1.511 57.617 56.100 0.011 0.000 0.989 533 R CB -0.166 30.156 30.300 0.037 0.000 0.869 533 R HN 0.431 nan 8.270 nan 0.000 0.459 534 T N -0.233 114.323 114.554 0.003 0.000 3.088 534 T HA -0.062 4.305 4.350 0.027 0.000 0.259 534 T C -0.099 174.594 174.700 -0.012 0.000 1.122 534 T CA 0.694 62.792 62.100 -0.003 0.000 1.095 534 T CB -0.065 68.802 68.868 -0.001 0.000 0.930 534 T HN 0.215 nan 8.240 nan 0.000 0.508 535 D N 1.923 122.316 120.400 -0.011 0.000 2.767 535 D HA 0.182 4.838 4.640 0.027 0.000 0.241 535 D C 0.186 176.475 176.300 -0.019 0.000 1.187 535 D CA -0.545 53.447 54.000 -0.014 0.000 0.999 535 D CB -0.835 39.960 40.800 -0.009 0.000 1.042 535 D HN 0.421 nan 8.370 nan 0.000 0.510 536 C N -0.040 119.242 119.300 -0.030 0.000 2.423 536 C HA 0.872 5.348 4.460 0.027 0.000 0.378 536 C C 0.901 175.857 174.990 -0.055 0.000 1.244 536 C CA -0.769 58.224 59.018 -0.041 0.000 1.978 536 C CB 0.512 28.218 27.740 -0.058 0.000 2.252 536 C HN 0.472 nan 8.230 nan 0.000 0.526 537 T N -0.665 113.846 114.554 -0.072 0.000 2.930 537 T HA 0.150 4.516 4.350 0.027 0.000 0.306 537 T C 0.556 175.176 174.700 -0.133 0.000 1.045 537 T CA 0.205 62.257 62.100 -0.081 0.000 1.134 537 T CB 0.409 69.244 68.868 -0.055 0.000 0.961 537 T HN 0.707 nan 8.240 nan 0.000 0.545 538 D N 1.337 121.680 120.400 -0.094 0.000 2.149 538 D HA -0.123 4.533 4.640 0.027 0.000 0.198 538 D C 1.873 178.082 176.300 -0.152 0.000 0.990 538 D CA 1.094 55.034 54.000 -0.100 0.000 0.839 538 D CB -0.261 40.504 40.800 -0.058 0.000 0.948 538 D HN 0.674 nan 8.370 nan 0.000 0.460 539 M N 0.168 119.670 119.600 -0.163 0.000 2.082 539 M HA -0.196 4.300 4.480 0.027 0.000 0.258 539 M C 2.186 178.166 176.300 -0.534 0.000 1.069 539 M CA 1.261 56.432 55.300 -0.214 0.000 1.102 539 M CB -0.064 32.509 32.600 -0.045 0.000 1.336 539 M HN 0.073 nan 8.290 nan 0.000 0.404 540 L N -0.276 120.421 121.223 -0.877 0.000 2.017 540 L HA -0.197 4.159 4.340 0.027 0.000 0.208 540 L C 2.067 178.694 176.870 -0.405 0.000 1.073 540 L CA 1.275 55.428 54.840 -1.145 0.000 0.745 540 L CB -0.296 41.237 42.059 -0.877 0.000 0.894 540 L HN 0.142 nan 8.230 nan 0.000 0.432 541 V N -0.116 119.639 119.914 -0.264 0.000 2.255 541 V HA -0.339 3.797 4.120 0.027 0.000 0.247 541 V C 2.534 178.554 176.094 -0.122 0.000 1.051 541 V CA 2.201 64.415 62.300 -0.145 0.000 1.018 541 V CB -0.754 31.002 31.823 -0.111 0.000 0.641 541 V HN 0.545 nan 8.190 nan 0.000 0.445 542 Q N -1.497 118.227 119.800 -0.127 0.000 2.014 542 Q HA -0.307 4.049 4.340 0.027 0.000 0.207 542 Q C 2.095 178.031 176.000 -0.106 0.000 0.993 542 Q CA 2.633 58.374 55.803 -0.104 0.000 0.850 542 Q CB -0.325 28.357 28.738 -0.093 0.000 0.916 542 Q HN 0.808 nan 8.270 nan 0.000 0.417 543 W N 0.561 121.666 121.300 -0.326 0.000 2.335 543 W HA -0.168 4.508 4.660 0.027 0.000 0.311 543 W C 2.047 178.418 176.519 -0.246 0.000 1.213 543 W CA 2.032 59.169 57.345 -0.347 0.000 1.274 543 W CB -0.771 28.425 29.460 -0.441 0.000 1.148 543 W HN 0.148 nan 8.180 nan 0.000 0.498 544 G N 0.353 109.081 108.800 -0.121 0.000 2.421 544 G HA2 -0.283 3.693 3.960 0.027 0.000 0.216 544 G HA3 -0.283 3.693 3.960 0.027 0.000 0.216 544 G C 1.583 176.297 174.900 -0.310 0.000 1.171 544 G CA 1.122 46.045 45.100 -0.294 0.000 0.775 544 G HN 0.287 nan 8.290 nan 0.000 0.543 545 R N -0.144 120.238 120.500 -0.197 0.000 2.091 545 R HA -0.045 4.311 4.340 0.027 0.000 0.238 545 R C 2.587 178.777 176.300 -0.183 0.000 1.136 545 R CA 1.279 57.290 56.100 -0.148 0.000 0.959 545 R CB -0.180 30.058 30.300 -0.103 0.000 0.856 545 R HN 0.121 nan 8.270 nan 0.000 0.437 546 K N 0.623 120.878 120.400 -0.242 0.000 2.025 546 K HA -0.059 4.277 4.320 0.027 0.000 0.207 546 K C 2.044 178.472 176.600 -0.287 0.000 1.049 546 K CA 1.036 57.186 56.287 -0.228 0.000 0.933 546 K CB -0.267 32.098 32.500 -0.226 0.000 0.714 546 K HN 0.023 nan 8.250 nan 0.000 0.438 547 V N 1.444 121.062 119.914 -0.493 0.000 2.295 547 V HA -0.248 3.888 4.120 0.027 0.000 0.246 547 V C 2.506 178.428 176.094 -0.287 0.000 1.049 547 V CA 2.010 64.008 62.300 -0.503 0.000 1.024 547 V CB -0.766 30.480 31.823 -0.962 0.000 0.648 547 V HN 0.346 nan 8.190 nan 0.000 0.447 548 A N 0.637 123.299 122.820 -0.264 0.000 1.902 548 A HA -0.215 4.121 4.320 0.027 0.000 0.217 548 A C 2.536 180.068 177.584 -0.086 0.000 1.181 548 A CA 2.341 54.294 52.037 -0.140 0.000 0.623 548 A CB -0.760 18.181 19.000 -0.099 0.000 0.818 548 A HN 0.695 nan 8.150 nan 0.000 0.443 549 S N -1.354 114.295 115.700 -0.084 0.000 2.428 549 S HA -0.099 4.387 4.470 0.027 0.000 0.230 549 S C 1.751 176.336 174.600 -0.024 0.000 1.014 549 S CA 1.735 59.910 58.200 -0.042 0.000 0.957 549 S CB -0.850 62.327 63.200 -0.037 0.000 0.784 549 S HN 0.461 nan 8.310 nan 0.000 0.499 550 T N 2.779 117.310 114.554 -0.038 0.000 2.851 550 T HA 0.069 4.435 4.350 0.027 0.000 0.262 550 T C 1.605 176.329 174.700 0.040 0.000 1.043 550 T CA 1.184 63.294 62.100 0.017 0.000 1.140 550 T CB -0.456 68.417 68.868 0.008 0.000 0.872 550 T HN 0.413 nan 8.240 nan 0.000 0.446 551 N N 1.523 120.223 118.700 -0.001 0.000 2.453 551 N HA 0.073 4.829 4.740 0.027 0.000 0.183 551 N C 1.490 176.999 175.510 -0.002 0.000 1.041 551 N CA 0.670 53.726 53.050 0.010 0.000 0.900 551 N CB -0.178 38.300 38.487 -0.016 0.000 0.961 551 N HN 0.415 nan 8.380 nan 0.000 0.443 552 A N 0.508 123.322 122.820 -0.010 0.000 2.308 552 A HA 0.043 4.380 4.320 0.027 0.000 0.217 552 A C 0.936 178.524 177.584 0.007 0.000 1.216 552 A CA -0.413 51.618 52.037 -0.011 0.000 0.864 552 A CB -0.106 18.884 19.000 -0.017 0.000 0.902 552 A HN 0.212 nan 8.150 nan 0.000 0.499 553 R N 0.006 120.518 120.500 0.021 0.000 2.583 553 R HA -0.010 4.346 4.340 0.027 0.000 0.274 553 R C 0.135 176.449 176.300 0.022 0.000 0.998 553 R CA 0.626 56.743 56.100 0.029 0.000 1.081 553 R CB 0.351 30.681 30.300 0.050 0.000 0.940 553 R HN 0.004 nan 8.270 nan 0.000 0.413 554 K N 1.439 121.850 120.400 0.018 0.000 2.323 554 K HA 0.135 4.471 4.320 0.027 0.000 0.197 554 K C -0.048 176.559 176.600 0.013 0.000 1.043 554 K CA 0.921 57.216 56.287 0.014 0.000 0.997 554 K CB 0.658 33.165 32.500 0.012 0.000 0.807 554 K HN 0.661 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 4.366 4.350 0.027 0.000 0.228 555 T CA 0.000 62.107 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