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_F 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 0.000 174.771 174.700 0.119 0.000 1.109 2 T CA 0.000 62.155 62.100 0.092 0.000 1.349 2 T CB 0.000 68.900 68.868 0.053 0.000 0.612 3 Y N 5.085 125.399 120.300 0.023 0.000 2.341 3 Y HA 0.575 5.124 4.550 -0.000 0.000 0.340 3 Y C 0.862 176.784 175.900 0.038 0.000 0.997 3 Y CA 0.114 58.233 58.100 0.032 0.000 1.149 3 Y CB 1.154 39.638 38.460 0.039 0.000 1.171 3 Y HN 0.796 nan 8.280 nan 0.000 0.494 4 T N 0.827 115.212 114.554 -0.280 0.000 2.948 4 T HA 0.298 4.647 4.350 -0.000 0.000 0.285 4 T C 0.969 175.585 174.700 -0.140 0.000 1.019 4 T CA -0.658 61.358 62.100 -0.141 0.000 1.013 4 T CB 1.194 69.993 68.868 -0.116 0.000 1.117 4 T HN 0.405 nan 8.240 nan 0.000 0.533 5 V N 1.743 121.628 119.914 -0.049 0.000 2.282 5 V HA -0.076 4.044 4.120 -0.000 0.000 0.249 5 V C 2.919 179.005 176.094 -0.014 0.000 1.057 5 V CA 2.567 64.852 62.300 -0.025 0.000 1.032 5 V CB -1.520 30.279 31.823 -0.040 0.000 0.645 5 V HN 1.115 nan 8.190 nan 0.000 0.447 6 G N -0.927 107.838 108.800 -0.058 0.000 2.422 6 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 6 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 6 G C 1.591 176.430 174.900 -0.103 0.000 1.146 6 G CA 1.059 46.120 45.100 -0.064 0.000 0.769 6 G HN 0.459 nan 8.290 nan 0.000 0.547 7 M N -1.028 118.442 119.600 -0.217 0.000 2.175 7 M HA 0.032 4.512 4.480 -0.000 0.000 0.264 7 M C 2.343 178.524 176.300 -0.198 0.000 1.063 7 M CA 1.004 56.097 55.300 -0.344 0.000 1.119 7 M CB -0.333 31.800 32.600 -0.777 0.000 1.377 7 M HN 0.306 nan 8.290 nan 0.000 0.415 8 Y N 1.356 121.536 120.300 -0.201 0.000 2.145 8 Y HA -0.282 4.268 4.550 -0.000 0.000 0.286 8 Y C 2.186 178.096 175.900 0.017 0.000 1.145 8 Y CA 1.736 59.886 58.100 0.083 0.000 1.148 8 Y CB -0.349 38.188 38.460 0.127 0.000 0.981 8 Y HN 0.098 nan 8.280 nan 0.000 0.507 9 L N 0.668 122.014 121.223 0.205 0.000 2.042 9 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 9 L C 2.430 179.272 176.870 -0.048 0.000 1.076 9 L CA 2.256 57.144 54.840 0.081 0.000 0.749 9 L CB -1.353 40.723 42.059 0.029 0.000 0.893 9 L HN 0.278 nan 8.230 nan 0.000 0.432 10 A N -0.891 121.879 122.820 -0.084 0.000 1.877 10 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 10 A C 2.342 179.868 177.584 -0.096 0.000 1.186 10 A CA 1.872 53.835 52.037 -0.124 0.000 0.620 10 A CB -0.795 18.131 19.000 -0.124 0.000 0.822 10 A HN 0.616 nan 8.150 nan 0.000 0.443 11 E N -0.910 119.243 120.200 -0.079 0.000 2.150 11 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 11 E C 2.237 178.764 176.600 -0.121 0.000 0.985 11 E CA 0.695 57.049 56.400 -0.078 0.000 0.814 11 E CB 0.015 29.695 29.700 -0.034 0.000 0.752 11 E HN 0.317 nan 8.360 nan 0.000 0.466 12 R N 0.202 120.602 120.500 -0.166 0.000 2.075 12 R HA -0.073 4.266 4.340 -0.000 0.000 0.232 12 R C 2.453 178.708 176.300 -0.076 0.000 1.126 12 R CA 0.741 56.757 56.100 -0.140 0.000 0.963 12 R CB -0.699 29.520 30.300 -0.134 0.000 0.858 12 R HN 0.322 nan 8.270 nan 0.000 0.435 13 L N 0.241 121.422 121.223 -0.071 0.000 2.046 13 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 13 L C 2.439 179.287 176.870 -0.036 0.000 1.077 13 L CA 0.964 55.773 54.840 -0.052 0.000 0.747 13 L CB -0.542 41.466 42.059 -0.085 0.000 0.896 13 L HN -0.063 nan 8.230 nan 0.000 0.432 14 V N -0.491 119.393 119.914 -0.049 0.000 2.407 14 V HA -0.301 3.818 4.120 -0.000 0.000 0.248 14 V C 2.401 178.478 176.094 -0.028 0.000 1.055 14 V CA 1.644 63.922 62.300 -0.036 0.000 1.049 14 V CB -0.503 31.294 31.823 -0.043 0.000 0.662 14 V HN 0.505 nan 8.190 nan 0.000 0.455 15 Q N -0.716 119.060 119.800 -0.040 0.000 2.224 15 Q HA -0.079 4.261 4.340 -0.000 0.000 0.203 15 Q C 2.201 178.188 176.000 -0.020 0.000 0.970 15 Q CA 1.256 57.038 55.803 -0.036 0.000 0.865 15 Q CB -0.153 28.552 28.738 -0.054 0.000 0.922 15 Q HN 0.610 nan 8.270 nan 0.000 0.445 16 I N -0.685 119.877 120.570 -0.013 0.000 2.361 16 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 16 I C 1.319 177.446 176.117 0.018 0.000 1.133 16 I CA 1.130 62.433 61.300 0.004 0.000 1.413 16 I CB -0.103 37.907 38.000 0.017 0.000 1.073 16 I HN 0.421 nan 8.210 nan 0.000 0.424 17 G N 0.538 109.351 108.800 0.022 0.000 2.143 17 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.175 17 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.175 17 G C -0.125 174.822 174.900 0.078 0.000 1.004 17 G CA -0.677 44.443 45.100 0.033 0.000 0.671 17 G HN 0.064 nan 8.290 nan 0.000 0.512 18 L N 0.611 121.891 121.223 0.094 0.000 2.426 18 L HA 0.489 4.828 4.340 -0.000 0.000 0.271 18 L C 1.444 178.369 176.870 0.092 0.000 1.169 18 L CA 0.408 55.346 54.840 0.164 0.000 0.836 18 L CB 1.001 43.123 42.059 0.105 0.000 1.112 18 L HN 0.075 nan 8.230 nan 0.000 0.465 19 K N 1.894 122.385 120.400 0.152 0.000 2.402 19 K HA 0.262 4.582 4.320 -0.000 0.000 0.204 19 K C -0.512 175.772 176.600 -0.526 0.000 1.056 19 K CA -0.029 56.186 56.287 -0.120 0.000 1.069 19 K CB 0.622 33.070 32.500 -0.087 0.000 0.888 19 K HN 0.615 nan 8.250 nan 0.000 0.546 20 H N -0.105 118.863 119.070 -0.171 0.000 2.996 20 H HA 0.321 4.876 4.556 -0.000 0.000 0.368 20 H C -0.580 174.391 175.328 -0.594 0.000 1.185 20 H CA -0.929 54.800 56.048 -0.531 0.000 1.160 20 H CB 1.322 30.587 29.762 -0.829 0.000 1.820 20 H HN 0.058 nan 8.280 nan 0.000 0.547 21 H N 0.524 119.255 119.070 -0.564 0.000 2.895 21 H HA 0.476 5.032 4.556 -0.000 0.000 0.373 21 H C -1.601 173.372 175.328 -0.592 0.000 1.174 21 H CA -0.997 54.781 56.048 -0.451 0.000 1.144 21 H CB 1.132 30.776 29.762 -0.197 0.000 1.793 21 H HN 0.353 nan 8.280 nan 0.000 0.551 22 F N 0.682 120.539 119.950 -0.155 0.000 2.458 22 F HA 0.723 5.249 4.527 -0.000 0.000 0.330 22 F C 0.279 176.079 175.800 0.001 0.000 1.082 22 F CA -0.411 57.508 58.000 -0.135 0.000 0.995 22 F CB 2.132 41.087 39.000 -0.074 0.000 1.170 22 F HN 0.880 nan 8.300 nan 0.000 0.478 23 A N 1.360 124.303 122.820 0.205 0.000 2.594 23 A HA 0.833 5.153 4.320 -0.000 0.000 0.295 23 A C -1.930 175.834 177.584 0.301 0.000 1.071 23 A CA -0.734 51.456 52.037 0.255 0.000 0.685 23 A CB 1.561 20.730 19.000 0.283 0.000 1.285 23 A HN 0.500 nan 8.150 nan 0.000 0.405 24 V N 1.325 121.368 119.914 0.215 0.000 2.531 24 V HA 0.671 4.791 4.120 -0.000 0.000 0.301 24 V C 0.681 176.850 176.094 0.125 0.000 1.034 24 V CA -0.326 62.072 62.300 0.163 0.000 0.865 24 V CB 1.354 33.246 31.823 0.114 0.000 0.995 24 V HN 1.473 nan 8.190 nan 0.000 0.424 25 A N 3.411 126.276 122.820 0.075 0.000 2.407 25 A HA 0.804 5.124 4.320 -0.000 0.000 0.248 25 A C 0.569 178.195 177.584 0.070 0.000 1.082 25 A CA 0.572 52.641 52.037 0.053 0.000 0.785 25 A CB 0.442 19.427 19.000 -0.024 0.000 1.020 25 A HN 1.407 nan 8.150 nan 0.000 0.489 26 G N 0.374 109.231 108.800 0.095 0.000 2.698 26 G HA2 0.460 4.420 3.960 -0.000 0.000 0.293 26 G HA3 0.460 4.420 3.960 -0.000 0.000 0.293 26 G C 0.037 175.004 174.900 0.112 0.000 1.437 26 G CA 0.225 45.401 45.100 0.127 0.000 0.852 26 G HN 0.672 nan 8.290 nan 0.000 0.499 27 D N -0.299 120.141 120.400 0.067 0.000 2.182 27 D HA -0.211 4.429 4.640 -0.000 0.000 0.201 27 D C 1.267 177.568 176.300 0.001 0.000 0.986 27 D CA 1.357 55.342 54.000 -0.024 0.000 0.847 27 D CB -0.207 40.512 40.800 -0.135 0.000 0.942 27 D HN 0.368 nan 8.370 nan 0.000 0.467 28 Y N 1.084 121.473 120.300 0.149 0.000 2.574 28 Y HA -0.028 4.522 4.550 -0.000 0.000 0.294 28 Y C 1.540 177.478 175.900 0.064 0.000 1.142 28 Y CA 1.248 59.402 58.100 0.089 0.000 1.314 28 Y CB -0.416 38.105 38.460 0.102 0.000 0.991 28 Y HN 0.263 nan 8.280 nan 0.000 0.555 29 N N -1.622 117.201 118.700 0.205 0.000 2.143 29 N HA 0.035 4.774 4.740 -0.000 0.000 0.222 29 N C 0.880 176.448 175.510 0.097 0.000 1.264 29 N CA 0.164 53.297 53.050 0.140 0.000 0.897 29 N CB -0.863 37.709 38.487 0.142 0.000 1.092 29 N HN 0.244 nan 8.380 nan 0.000 0.516 30 L N 0.031 121.301 121.223 0.078 0.000 2.012 30 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 30 L C 1.946 178.843 176.870 0.045 0.000 1.073 30 L CA 1.202 56.073 54.840 0.052 0.000 0.748 30 L CB -0.535 41.541 42.059 0.028 0.000 0.891 30 L HN 0.013 nan 8.230 nan 0.000 0.431 31 V N 0.038 119.975 119.914 0.038 0.000 2.407 31 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 31 V C 2.412 178.520 176.094 0.023 0.000 1.055 31 V CA 1.656 63.971 62.300 0.025 0.000 1.049 31 V CB -0.438 31.397 31.823 0.020 0.000 0.662 31 V HN 0.334 nan 8.190 nan 0.000 0.455 32 L N -0.212 121.030 121.223 0.032 0.000 2.017 32 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 32 L C 2.203 179.090 176.870 0.028 0.000 1.073 32 L CA 1.887 56.739 54.840 0.020 0.000 0.745 32 L CB -0.562 41.512 42.059 0.025 0.000 0.894 32 L HN 0.204 nan 8.230 nan 0.000 0.432 33 L N -0.582 120.680 121.223 0.064 0.000 2.079 33 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 33 L C 2.303 179.224 176.870 0.085 0.000 1.081 33 L CA 1.365 56.268 54.840 0.104 0.000 0.752 33 L CB -0.984 41.159 42.059 0.139 0.000 0.896 33 L HN 0.318 nan 8.230 nan 0.000 0.433 34 D N -0.414 120.018 120.400 0.053 0.000 2.104 34 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 34 D C 2.362 178.669 176.300 0.013 0.000 0.994 34 D CA 1.056 55.076 54.000 0.034 0.000 0.830 34 D CB -0.177 40.635 40.800 0.019 0.000 0.959 34 D HN 0.282 nan 8.370 nan 0.000 0.452 35 Q N 0.229 120.025 119.800 -0.008 0.000 2.084 35 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 35 Q C 2.668 178.637 176.000 -0.051 0.000 0.978 35 Q CA 0.575 56.350 55.803 -0.045 0.000 0.844 35 Q CB -0.611 28.087 28.738 -0.067 0.000 0.898 35 Q HN 0.387 nan 8.270 nan 0.000 0.426 36 L N -0.051 121.151 121.223 -0.035 0.000 2.141 36 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 36 L C 2.306 179.189 176.870 0.021 0.000 1.094 36 L CA 0.602 55.409 54.840 -0.055 0.000 0.763 36 L CB -0.401 41.589 42.059 -0.114 0.000 0.908 36 L HN 0.149 nan 8.230 nan 0.000 0.437 37 L N -0.598 120.659 121.223 0.057 0.000 2.275 37 L HA -0.183 4.156 4.340 -0.000 0.000 0.215 37 L C 2.234 179.119 176.870 0.025 0.000 1.119 37 L CA 0.775 55.652 54.840 0.061 0.000 0.790 37 L CB -0.243 41.860 42.059 0.072 0.000 0.919 37 L HN 0.289 nan 8.230 nan 0.000 0.443 38 L N -0.749 120.476 121.223 0.003 0.000 2.465 38 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 38 L C 1.033 177.897 176.870 -0.010 0.000 1.145 38 L CA 0.216 55.051 54.840 -0.007 0.000 0.834 38 L CB -0.405 41.640 42.059 -0.024 0.000 0.944 38 L HN 0.258 nan 8.230 nan 0.000 0.451 39 N N 0.929 119.620 118.700 -0.015 0.000 2.437 39 N HA 0.018 4.757 4.740 -0.000 0.000 0.243 39 N C 0.548 176.048 175.510 -0.016 0.000 1.041 39 N CA -0.031 53.009 53.050 -0.017 0.000 0.940 39 N CB 0.988 39.455 38.487 -0.033 0.000 1.133 39 N HN -0.055 nan 8.380 nan 0.000 0.506 40 K N 1.704 122.094 120.400 -0.016 0.000 2.525 40 K HA 0.015 4.335 4.320 -0.000 0.000 0.192 40 K C 0.185 176.760 176.600 -0.041 0.000 1.029 40 K CA 0.363 56.635 56.287 -0.024 0.000 1.029 40 K CB 0.361 32.852 32.500 -0.015 0.000 0.814 40 K HN 0.513 nan 8.250 nan 0.000 0.503 41 D N 0.766 121.141 120.400 -0.042 0.000 2.355 41 D HA 0.007 4.646 4.640 -0.000 0.000 0.218 41 D C 0.949 177.196 176.300 -0.088 0.000 1.004 41 D CA 0.484 54.451 54.000 -0.055 0.000 0.880 41 D CB 0.192 40.968 40.800 -0.041 0.000 0.911 41 D HN 0.345 nan 8.370 nan 0.000 0.528 42 M N -1.915 117.628 119.600 -0.096 0.000 2.618 42 M HA 0.458 4.937 4.480 -0.000 0.000 0.281 42 M C -1.397 174.795 176.300 -0.180 0.000 1.267 42 M CA -0.983 54.220 55.300 -0.162 0.000 0.845 42 M CB 2.852 35.396 32.600 -0.093 0.000 1.732 42 M HN -0.482 nan 8.290 nan 0.000 0.461 43 K N 1.563 121.758 120.400 -0.341 0.000 2.164 43 K HA 0.381 4.701 4.320 -0.000 0.000 0.258 43 K C -1.298 174.986 176.600 -0.525 0.000 0.951 43 K CA -0.628 55.459 56.287 -0.334 0.000 0.844 43 K CB 2.420 34.734 32.500 -0.311 0.000 1.099 43 K HN 0.743 nan 8.250 nan 0.000 0.435 44 Q N 3.773 123.242 119.800 -0.551 0.000 2.331 44 Q HA 0.333 4.673 4.340 -0.000 0.000 0.257 44 Q C -0.863 174.559 176.000 -0.963 0.000 0.957 44 Q CA -0.590 54.652 55.803 -0.935 0.000 0.923 44 Q CB 0.551 28.993 28.738 -0.493 0.000 1.212 44 Q HN 0.628 nan 8.270 nan 0.000 0.443 45 I N 0.829 120.777 120.570 -1.036 0.000 2.693 45 I HA 0.554 4.724 4.170 -0.000 0.000 0.303 45 I C -1.600 174.122 176.117 -0.659 0.000 1.025 45 I CA -0.917 59.838 61.300 -0.908 0.000 1.086 45 I CB 1.368 38.822 38.000 -0.909 0.000 1.268 45 I HN 0.417 nan 8.210 nan 0.000 0.440 46 Y N 3.249 123.676 120.300 0.212 0.000 2.446 46 Y HA 0.718 5.268 4.550 -0.000 0.000 0.338 46 Y C 0.025 176.067 175.900 0.237 0.000 1.055 46 Y CA -0.978 57.241 58.100 0.198 0.000 1.101 46 Y CB 1.622 40.169 38.460 0.145 0.000 1.221 46 Y HN 0.681 nan 8.280 nan 0.000 0.460 47 C N 0.012 119.507 119.300 0.324 0.000 2.595 47 C HA 0.377 4.837 4.460 -0.000 0.000 0.338 47 C C 1.512 176.560 174.990 0.097 0.000 1.219 47 C CA -0.653 58.472 59.018 0.178 0.000 1.811 47 C CB 1.480 29.323 27.740 0.171 0.000 2.313 47 C HN 1.122 nan 8.230 nan 0.000 0.499 48 C N 1.469 120.778 119.300 0.014 0.000 2.462 48 C HA -0.004 4.456 4.460 -0.000 0.000 0.278 48 C C 0.992 175.995 174.990 0.022 0.000 1.253 48 C CA 1.016 60.032 59.018 -0.005 0.000 1.713 48 C CB -1.480 26.227 27.740 -0.056 0.000 2.049 48 C HN 1.009 nan 8.230 nan 0.000 0.477 49 N N -0.545 118.172 118.700 0.027 0.000 2.571 49 N HA 0.312 5.052 4.740 -0.000 0.000 0.273 49 N C -0.392 175.143 175.510 0.040 0.000 1.340 49 N CA -0.598 52.474 53.050 0.037 0.000 0.789 49 N CB 0.475 38.984 38.487 0.037 0.000 1.514 49 N HN -0.071 nan 8.380 nan 0.000 0.499 50 E N -0.433 119.786 120.200 0.032 0.000 2.208 50 E HA 0.037 4.386 4.350 -0.000 0.000 0.193 50 E C 1.349 177.936 176.600 -0.021 0.000 0.988 50 E CA 0.365 56.776 56.400 0.018 0.000 0.828 50 E CB -0.154 29.555 29.700 0.014 0.000 0.763 50 E HN 0.534 nan 8.360 nan 0.000 0.478 51 L N 1.096 122.311 121.223 -0.014 0.000 1.994 51 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 51 L C 1.368 178.216 176.870 -0.036 0.000 1.071 51 L CA 1.793 56.597 54.840 -0.060 0.000 0.745 51 L CB -0.477 41.606 42.059 0.041 0.000 0.892 51 L HN 0.034 nan 8.230 nan 0.000 0.431 52 N N -1.071 117.666 118.700 0.062 0.000 2.166 52 N HA -0.210 4.530 4.740 -0.000 0.000 0.186 52 N C 2.019 177.559 175.510 0.050 0.000 1.019 52 N CA 1.443 54.551 53.050 0.096 0.000 0.856 52 N CB -1.112 37.402 38.487 0.045 0.000 0.993 52 N HN 0.541 nan 8.380 nan 0.000 0.426 53 C N 0.479 119.794 119.300 0.025 0.000 2.413 53 C HA -0.027 4.433 4.460 -0.000 0.000 0.277 53 C C 2.777 177.727 174.990 -0.066 0.000 1.228 53 C CA 1.402 60.436 59.018 0.027 0.000 1.731 53 C CB -1.291 26.494 27.740 0.074 0.000 2.042 53 C HN 0.529 nan 8.230 nan 0.000 0.468 54 G N -0.771 107.967 108.800 -0.104 0.000 2.446 54 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.217 54 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.217 54 G C 1.338 176.138 174.900 -0.166 0.000 1.168 54 G CA 0.947 45.939 45.100 -0.180 0.000 0.771 54 G HN 0.491 nan 8.290 nan 0.000 0.551 55 F N 1.645 121.561 119.950 -0.057 0.000 2.293 55 F HA 0.055 4.582 4.527 -0.000 0.000 0.300 55 F C 2.966 178.676 175.800 -0.150 0.000 1.086 55 F CA 0.826 58.800 58.000 -0.043 0.000 1.375 55 F CB -0.352 38.641 39.000 -0.012 0.000 1.045 55 F HN 0.087 nan 8.300 nan 0.000 0.516 56 S N -0.096 115.557 115.700 -0.079 0.000 2.368 56 S HA -0.129 4.340 4.470 -0.000 0.000 0.224 56 S C 2.418 176.588 174.600 -0.717 0.000 1.029 56 S CA 1.000 58.962 58.200 -0.397 0.000 0.988 56 S CB -0.586 62.310 63.200 -0.507 0.000 0.838 56 S HN 0.346 nan 8.310 nan 0.000 0.462 57 A N 1.596 124.057 122.820 -0.599 0.000 1.902 57 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 57 A C 2.084 179.642 177.584 -0.043 0.000 1.181 57 A CA 1.422 53.260 52.037 -0.331 0.000 0.623 57 A CB -0.566 18.367 19.000 -0.112 0.000 0.818 57 A HN 0.450 nan 8.150 nan 0.000 0.443 58 E N -0.050 120.163 120.200 0.022 0.000 2.058 58 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 58 E C 2.150 178.844 176.600 0.157 0.000 0.997 58 E CA 1.523 58.013 56.400 0.150 0.000 0.801 58 E CB -0.523 29.375 29.700 0.330 0.000 0.746 58 E HN 0.499 nan 8.360 nan 0.000 0.450 59 G N -0.297 108.554 108.800 0.085 0.000 2.418 59 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 59 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 59 G C 1.547 176.476 174.900 0.049 0.000 1.158 59 G CA 0.896 46.018 45.100 0.036 0.000 0.771 59 G HN 0.382 nan 8.290 nan 0.000 0.545 60 Y N 1.889 122.135 120.300 -0.090 0.000 2.181 60 Y HA -0.032 4.517 4.550 -0.000 0.000 0.288 60 Y C 2.967 178.887 175.900 0.033 0.000 1.146 60 Y CA 1.426 59.518 58.100 -0.014 0.000 1.164 60 Y CB -0.185 38.330 38.460 0.092 0.000 0.982 60 Y HN 0.257 nan 8.280 nan 0.000 0.515 61 A N 0.329 123.271 122.820 0.202 0.000 1.940 61 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 61 A C 2.240 179.854 177.584 0.050 0.000 1.176 61 A CA 1.838 53.951 52.037 0.127 0.000 0.631 61 A CB -0.613 18.458 19.000 0.118 0.000 0.814 61 A HN 0.531 nan 8.150 nan 0.000 0.446 62 R N 0.004 120.542 120.500 0.064 0.000 2.091 62 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 62 R C 2.567 178.873 176.300 0.009 0.000 1.136 62 R CA 1.879 58.017 56.100 0.064 0.000 0.959 62 R CB -0.267 30.108 30.300 0.126 0.000 0.856 62 R HN 0.736 nan 8.270 nan 0.000 0.437 63 S N -0.902 114.767 115.700 -0.052 0.000 2.456 63 S HA -0.016 4.454 4.470 -0.000 0.000 0.224 63 S C 1.572 176.080 174.600 -0.154 0.000 1.035 63 S CA 0.785 58.929 58.200 -0.094 0.000 0.940 63 S CB -0.015 63.124 63.200 -0.103 0.000 0.799 63 S HN 0.310 nan 8.310 nan 0.000 0.508 64 N N 0.592 119.152 118.700 -0.233 0.000 2.402 64 N HA 0.305 5.044 4.740 -0.000 0.000 0.174 64 N C 1.265 176.736 175.510 -0.065 0.000 1.027 64 N CA 1.096 54.021 53.050 -0.208 0.000 0.891 64 N CB 0.356 38.605 38.487 -0.396 0.000 1.016 64 N HN 0.531 nan 8.380 nan 0.000 0.439 65 G N -0.983 107.801 108.800 -0.027 0.000 2.541 65 G HA2 0.082 4.042 3.960 -0.000 0.000 0.201 65 G HA3 0.082 4.042 3.960 -0.000 0.000 0.201 65 G C 0.021 174.939 174.900 0.030 0.000 1.026 65 G CA -0.012 45.086 45.100 -0.003 0.000 0.687 65 G HN 0.734 nan 8.290 nan 0.000 0.492 66 A N -0.831 122.038 122.820 0.082 0.000 2.588 66 A HA 1.138 5.458 4.320 -0.000 0.000 0.290 66 A C -0.382 177.339 177.584 0.229 0.000 1.136 66 A CA 0.470 52.574 52.037 0.111 0.000 0.681 66 A CB 0.920 19.964 19.000 0.073 0.000 1.282 66 A HN 2.247 nan 8.150 nan 0.000 0.421 67 A N -1.122 121.811 122.820 0.189 0.000 2.599 67 A HA 1.014 5.333 4.320 -0.000 0.000 0.290 67 A C -0.733 176.923 177.584 0.119 0.000 1.101 67 A CA -0.003 52.166 52.037 0.220 0.000 0.674 67 A CB 0.839 20.000 19.000 0.268 0.000 1.277 67 A HN 2.637 nan 8.150 nan 0.000 0.419 68 A N -0.476 122.414 122.820 0.118 0.000 2.455 68 A HA 0.935 5.255 4.320 -0.000 0.000 0.300 68 A C -0.433 177.252 177.584 0.169 0.000 1.040 68 A CA 0.127 52.224 52.037 0.099 0.000 0.697 68 A CB 1.315 20.343 19.000 0.047 0.000 1.265 68 A HN 2.533 nan 8.150 nan 0.000 0.407 69 A N 1.187 124.080 122.820 0.122 0.000 2.386 69 A HA 0.754 5.073 4.320 -0.000 0.000 0.311 69 A C -1.084 176.565 177.584 0.108 0.000 1.068 69 A CA -0.514 51.613 52.037 0.149 0.000 0.743 69 A CB 1.511 20.568 19.000 0.096 0.000 1.258 69 A HN 1.374 nan 8.150 nan 0.000 0.429 70 V N 2.890 122.890 119.914 0.143 0.000 2.409 70 V HA 0.627 4.747 4.120 -0.000 0.000 0.291 70 V C 0.079 176.244 176.094 0.119 0.000 1.020 70 V CA -0.374 61.994 62.300 0.113 0.000 0.848 70 V CB 1.004 32.910 31.823 0.138 0.000 0.990 70 V HN 1.153 nan 8.190 nan 0.000 0.430 71 V N 1.584 121.553 119.914 0.092 0.000 3.155 71 V HA 0.782 4.902 4.120 -0.000 0.000 0.313 71 V C -0.166 176.001 176.094 0.121 0.000 1.162 71 V CA -0.624 61.735 62.300 0.098 0.000 1.048 71 V CB 2.010 33.876 31.823 0.071 0.000 1.092 71 V HN 0.688 nan 8.190 nan 0.000 0.447 72 T N 0.500 115.136 114.554 0.137 0.000 2.918 72 T HA 0.534 4.884 4.350 -0.000 0.000 0.283 72 T C -0.565 174.264 174.700 0.216 0.000 1.001 72 T CA -0.305 61.929 62.100 0.223 0.000 1.041 72 T CB 0.594 69.616 68.868 0.257 0.000 1.028 72 T HN 0.679 nan 8.240 nan 0.000 0.511 73 F N 3.102 123.123 119.950 0.117 0.000 2.607 73 F HA 0.212 4.738 4.527 -0.000 0.000 0.374 73 F C 1.714 177.533 175.800 0.031 0.000 1.104 73 F CA 1.333 59.318 58.000 -0.025 0.000 1.296 73 F CB -0.300 38.483 39.000 -0.362 0.000 1.085 73 F HN 0.916 nan 8.300 nan 0.000 0.584 74 S N 1.163 116.499 115.700 -0.607 0.000 4.024 74 S HA -0.361 4.109 4.470 -0.000 0.000 0.420 74 S C 1.590 176.121 174.600 -0.115 0.000 1.771 74 S CA 2.411 60.413 58.200 -0.330 0.000 4.062 74 S CB -1.854 61.272 63.200 -0.124 0.000 0.800 74 S HN 1.162 nan 8.310 nan 0.000 0.459 75 V N 0.744 120.601 119.914 -0.095 0.000 2.469 75 V HA 0.059 4.179 4.120 -0.000 0.000 0.251 75 V C 2.149 178.200 176.094 -0.072 0.000 1.064 75 V CA 2.619 64.855 62.300 -0.106 0.000 1.066 75 V CB -1.557 30.116 31.823 -0.249 0.000 0.667 75 V HN 0.718 nan 8.190 nan 0.000 0.461 76 G N -0.442 108.323 108.800 -0.059 0.000 2.447 76 G HA2 0.136 4.096 3.960 -0.000 0.000 0.211 76 G HA3 0.136 4.096 3.960 -0.000 0.000 0.211 76 G C 1.719 176.611 174.900 -0.012 0.000 1.184 76 G CA 0.798 45.890 45.100 -0.013 0.000 0.813 76 G HN 0.792 nan 8.290 nan 0.000 0.540 77 A N 0.903 123.707 122.820 -0.026 0.000 1.908 77 A HA 0.004 4.323 4.320 -0.000 0.000 0.218 77 A C 2.391 179.960 177.584 -0.025 0.000 1.181 77 A CA 1.381 53.411 52.037 -0.012 0.000 0.627 77 A CB -0.445 18.541 19.000 -0.023 0.000 0.818 77 A HN 0.372 nan 8.150 nan 0.000 0.445 78 I N 0.711 121.253 120.570 -0.046 0.000 2.163 78 I HA -0.283 3.886 4.170 -0.000 0.000 0.243 78 I C 2.842 178.955 176.117 -0.007 0.000 1.085 78 I CA 1.771 63.056 61.300 -0.024 0.000 1.347 78 I CB -0.291 37.704 38.000 -0.008 0.000 1.044 78 I HN 0.491 nan 8.210 nan 0.000 0.408 79 S N 1.090 116.787 115.700 -0.005 0.000 2.406 79 S HA -0.024 4.446 4.470 -0.000 0.000 0.228 79 S C 2.198 176.772 174.600 -0.044 0.000 1.020 79 S CA 0.641 58.842 58.200 0.002 0.000 0.965 79 S CB -0.518 62.693 63.200 0.018 0.000 0.798 79 S HN 0.409 nan 8.310 nan 0.000 0.488 80 A N 1.997 124.786 122.820 -0.052 0.000 2.019 80 A HA 0.083 4.402 4.320 -0.000 0.000 0.219 80 A C 2.225 179.746 177.584 -0.105 0.000 1.164 80 A CA 1.443 53.424 52.037 -0.094 0.000 0.644 80 A CB -0.838 18.137 19.000 -0.042 0.000 0.805 80 A HN 0.551 nan 8.150 nan 0.000 0.449 81 M N -0.454 119.115 119.600 -0.051 0.000 2.358 81 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 81 M C 2.054 178.333 176.300 -0.035 0.000 1.064 81 M CA 1.124 56.398 55.300 -0.043 0.000 1.093 81 M CB -0.375 32.210 32.600 -0.025 0.000 1.401 81 M HN 0.515 nan 8.290 nan 0.000 0.440 82 N N 0.920 119.615 118.700 -0.007 0.000 2.084 82 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 82 N C 1.610 177.069 175.510 -0.084 0.000 1.030 82 N CA 1.931 55.054 53.050 0.122 0.000 0.849 82 N CB -0.085 38.491 38.487 0.148 0.000 1.012 82 N HN 0.337 nan 8.380 nan 0.000 0.423 83 A N 1.440 123.989 122.820 -0.452 0.000 1.933 83 A HA -0.048 4.271 4.320 -0.000 0.000 0.218 83 A C 2.565 179.923 177.584 -0.378 0.000 1.175 83 A CA 0.784 52.382 52.037 -0.731 0.000 0.628 83 A CB -0.731 17.737 19.000 -0.888 0.000 0.814 83 A HN 0.352 nan 8.150 nan 0.000 0.444 84 L N -0.747 120.326 121.223 -0.249 0.000 2.012 84 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 84 L C 2.849 179.567 176.870 -0.252 0.000 1.073 84 L CA 1.449 56.190 54.840 -0.165 0.000 0.748 84 L CB -0.946 41.069 42.059 -0.073 0.000 0.891 84 L HN 0.520 nan 8.230 nan 0.000 0.431 85 G N -0.666 107.909 108.800 -0.375 0.000 2.440 85 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 85 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 85 G C 1.519 175.595 174.900 -1.373 0.000 1.154 85 G CA 0.801 45.481 45.100 -0.700 0.000 0.767 85 G HN 0.524 nan 8.290 nan 0.000 0.552 86 G N 1.142 108.970 108.800 -1.619 0.000 2.446 86 G HA2 0.001 3.961 3.960 -0.000 0.000 0.217 86 G HA3 0.001 3.961 3.960 -0.000 0.000 0.217 86 G C 2.069 176.697 174.900 -0.453 0.000 1.168 86 G CA 1.602 45.888 45.100 -1.357 0.000 0.771 86 G HN 0.672 nan 8.290 nan 0.000 0.551 87 A N -0.284 122.381 122.820 -0.259 0.000 1.933 87 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 87 A C 2.226 179.754 177.584 -0.093 0.000 1.175 87 A CA 1.701 53.679 52.037 -0.099 0.000 0.628 87 A CB -0.657 18.308 19.000 -0.057 0.000 0.814 87 A HN 0.433 nan 8.150 nan 0.000 0.444 88 Y N 0.461 120.623 120.300 -0.231 0.000 2.145 88 Y HA -0.124 4.426 4.550 -0.000 0.000 0.286 88 Y C 2.748 178.566 175.900 -0.135 0.000 1.145 88 Y CA 1.280 59.281 58.100 -0.165 0.000 1.148 88 Y CB -0.509 37.848 38.460 -0.172 0.000 0.981 88 Y HN 0.316 nan 8.280 nan 0.000 0.507 89 A N -0.261 122.584 122.820 0.042 0.000 1.933 89 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 89 A C 1.739 179.339 177.584 0.027 0.000 1.175 89 A CA 1.877 53.963 52.037 0.082 0.000 0.628 89 A CB -0.372 18.711 19.000 0.138 0.000 0.814 89 A HN 0.476 nan 8.150 nan 0.000 0.444 90 E N 0.216 120.400 120.200 -0.027 0.000 2.465 90 E HA 0.054 4.404 4.350 -0.000 0.000 0.195 90 E C -0.553 176.029 176.600 -0.029 0.000 1.028 90 E CA -0.268 56.120 56.400 -0.019 0.000 0.899 90 E CB -0.237 29.458 29.700 -0.010 0.000 1.032 90 E HN 0.578 nan 8.360 nan 0.000 0.468 91 N N 0.784 119.438 118.700 -0.077 0.000 2.725 91 N HA -0.207 4.532 4.740 -0.000 0.000 0.251 91 N C -0.749 174.710 175.510 -0.085 0.000 1.031 91 N CA 0.657 53.638 53.050 -0.115 0.000 0.720 91 N CB -1.479 36.954 38.487 -0.091 0.000 0.930 91 N HN 0.224 nan 8.380 nan 0.000 0.543 92 L N 0.687 121.867 121.223 -0.072 0.000 2.356 92 L HA 0.425 4.765 4.340 -0.000 0.000 0.277 92 L C -1.983 174.864 176.870 -0.039 0.000 0.996 92 L CA -1.700 53.122 54.840 -0.030 0.000 0.822 92 L CB 2.196 44.269 42.059 0.023 0.000 1.256 92 L HN -0.186 nan 8.230 nan 0.000 0.413 93 P HA 0.096 nan 4.420 nan 0.000 0.244 93 P C -0.398 176.910 177.300 0.013 0.000 1.769 93 P CA -0.083 63.003 63.100 -0.023 0.000 1.102 93 P CB 0.331 32.016 31.700 -0.026 0.000 1.937 94 V N 4.813 124.736 119.914 0.015 0.000 2.546 94 V HA 0.220 4.340 4.120 -0.000 0.000 0.284 94 V C 0.909 177.019 176.094 0.026 0.000 1.050 94 V CA -0.391 61.929 62.300 0.033 0.000 0.981 94 V CB 1.143 32.978 31.823 0.021 0.000 0.990 94 V HN 0.270 nan 8.190 nan 0.000 0.474 95 I N 5.491 126.080 120.570 0.032 0.000 2.330 95 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 95 I C -0.435 175.693 176.117 0.019 0.000 1.001 95 I CA -0.358 60.955 61.300 0.022 0.000 1.193 95 I CB 1.476 39.481 38.000 0.009 0.000 1.345 95 I HN 0.428 nan 8.210 nan 0.000 0.461 96 L N 8.865 130.102 121.223 0.023 0.000 2.264 96 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 96 L C -0.771 176.052 176.870 -0.079 0.000 1.044 96 L CA 0.094 54.942 54.840 0.014 0.000 0.807 96 L CB 0.593 42.696 42.059 0.073 0.000 1.192 96 L HN 0.392 nan 8.230 nan 0.000 0.425 97 I N 4.379 124.905 120.570 -0.073 0.000 2.339 97 I HA 0.384 4.553 4.170 -0.000 0.000 0.290 97 I C 0.162 176.223 176.117 -0.092 0.000 0.994 97 I CA 0.083 61.302 61.300 -0.135 0.000 1.191 97 I CB 1.670 39.621 38.000 -0.082 0.000 1.343 97 I HN 0.592 nan 8.210 nan 0.000 0.458 98 S N 4.021 119.624 115.700 -0.161 0.000 2.475 98 S HA 0.739 5.208 4.470 -0.000 0.000 0.298 98 S C 0.261 174.876 174.600 0.024 0.000 1.119 98 S CA -0.652 57.538 58.200 -0.017 0.000 1.085 98 S CB 0.993 64.226 63.200 0.054 0.000 1.028 98 S HN 0.787 nan 8.310 nan 0.000 0.489 99 G N 2.099 110.960 108.800 0.101 0.000 2.544 99 G HA2 0.553 4.513 3.960 -0.000 0.000 0.242 99 G HA3 0.553 4.513 3.960 -0.000 0.000 0.242 99 G C -0.258 174.674 174.900 0.054 0.000 1.247 99 G CA 0.092 45.261 45.100 0.114 0.000 0.840 99 G HN 1.067 nan 8.290 nan 0.000 0.578 100 A N 2.690 125.435 122.820 -0.125 0.000 2.566 100 A HA 0.900 5.220 4.320 -0.000 0.000 0.292 100 A C -2.822 174.364 177.584 -0.662 0.000 1.112 100 A CA -1.491 50.234 52.037 -0.519 0.000 0.707 100 A CB 1.546 20.377 19.000 -0.281 0.000 1.302 100 A HN 0.516 nan 8.150 nan 0.000 0.409 101 P HA -0.008 nan 4.420 nan 0.000 0.268 101 P C -0.307 176.876 177.300 -0.195 0.000 1.208 101 P CA -0.270 62.450 63.100 -0.633 0.000 0.777 101 P CB 0.355 31.472 31.700 -0.970 0.000 0.875 102 N N 1.250 119.939 118.700 -0.019 0.000 2.357 102 N HA -0.087 4.653 4.740 -0.000 0.000 0.257 102 N C 1.193 176.719 175.510 0.026 0.000 1.250 102 N CA 0.677 53.742 53.050 0.025 0.000 0.862 102 N CB 0.523 39.046 38.487 0.059 0.000 1.066 102 N HN 0.357 nan 8.380 nan 0.000 0.468 103 S N 3.048 118.762 115.700 0.023 0.000 2.442 103 S HA -0.094 4.376 4.470 -0.000 0.000 0.236 103 S C 1.145 175.767 174.600 0.038 0.000 1.007 103 S CA 0.651 58.868 58.200 0.029 0.000 0.965 103 S CB -0.059 63.150 63.200 0.015 0.000 0.773 103 S HN 0.634 nan 8.310 nan 0.000 0.504 104 N N 1.634 120.360 118.700 0.043 0.000 2.512 104 N HA -0.011 4.729 4.740 -0.000 0.000 0.183 104 N C 0.502 176.047 175.510 0.059 0.000 1.073 104 N CA 0.881 53.957 53.050 0.043 0.000 0.911 104 N CB -0.216 38.299 38.487 0.047 0.000 0.964 104 N HN 0.493 nan 8.380 nan 0.000 0.447 105 D N 0.719 121.179 120.400 0.100 0.000 2.323 105 D HA -0.046 4.593 4.640 -0.000 0.000 0.209 105 D C 0.667 177.031 176.300 0.108 0.000 0.973 105 D CA 0.356 54.447 54.000 0.153 0.000 0.874 105 D CB 0.170 41.099 40.800 0.214 0.000 0.930 105 D HN 0.254 nan 8.370 nan 0.000 0.521 106 Q N -0.189 119.663 119.800 0.087 0.000 2.274 106 Q HA 0.287 4.627 4.340 -0.000 0.000 0.280 106 Q C 0.939 176.906 176.000 -0.055 0.000 1.047 106 Q CA 0.831 56.638 55.803 0.007 0.000 0.907 106 Q CB 0.434 29.167 28.738 -0.009 0.000 1.171 106 Q HN 0.291 nan 8.270 nan 0.000 0.381 107 G N 2.485 111.228 108.800 -0.095 0.000 2.153 107 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.252 107 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.252 107 G C 0.553 175.393 174.900 -0.101 0.000 0.994 107 G CA 0.809 45.854 45.100 -0.091 0.000 0.698 107 G HN 0.796 nan 8.290 nan 0.000 0.521 108 T N -3.514 110.955 114.554 -0.143 0.000 3.014 108 T HA 0.449 4.799 4.350 -0.000 0.000 0.250 108 T C 2.324 176.892 174.700 -0.220 0.000 1.060 108 T CA 1.522 63.465 62.100 -0.262 0.000 1.040 108 T CB 0.518 69.039 68.868 -0.579 0.000 0.971 108 T HN 2.109 nan 8.240 nan 0.000 0.497 109 G N 1.157 109.900 108.800 -0.095 0.000 2.157 109 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 109 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 109 G C -0.098 174.872 174.900 0.116 0.000 0.979 109 G CA 0.043 45.147 45.100 0.007 0.000 0.650 109 G HN 0.788 nan 8.290 nan 0.000 0.529 110 H N -0.258 118.862 119.070 0.084 0.000 2.848 110 H HA 0.414 4.970 4.556 -0.000 0.000 0.341 110 H C 0.817 176.220 175.328 0.125 0.000 1.060 110 H CA -0.251 55.852 56.048 0.093 0.000 1.444 110 H CB 0.780 30.596 29.762 0.090 0.000 1.446 110 H HN 0.255 nan 8.280 nan 0.000 0.583 111 I N 4.866 125.571 120.570 0.226 0.000 2.365 111 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 111 I C -0.251 175.951 176.117 0.143 0.000 1.004 111 I CA -0.071 61.337 61.300 0.179 0.000 1.311 111 I CB 0.751 38.832 38.000 0.134 0.000 1.401 111 I HN 0.275 nan 8.210 nan 0.000 0.491 112 L N 5.490 126.791 121.223 0.131 0.000 2.333 112 L HA 0.444 4.784 4.340 -0.000 0.000 0.269 112 L C 0.216 177.137 176.870 0.084 0.000 1.010 112 L CA -1.079 53.801 54.840 0.066 0.000 0.818 112 L CB 1.418 43.424 42.059 -0.088 0.000 1.306 112 L HN 0.600 nan 8.230 nan 0.000 0.430 113 H N 0.808 119.904 119.070 0.044 0.000 2.771 113 H HA 0.034 4.589 4.556 -0.000 0.000 0.364 113 H C -0.264 175.152 175.328 0.147 0.000 1.133 113 H CA -0.016 56.025 56.048 -0.011 0.000 1.423 113 H CB 0.399 30.017 29.762 -0.240 0.000 1.425 113 H HN 0.706 nan 8.280 nan 0.000 0.606 114 H N -1.228 118.002 119.070 0.267 0.000 2.958 114 H HA -0.180 4.375 4.556 -0.000 0.000 0.274 114 H C 0.245 175.752 175.328 0.299 0.000 1.184 114 H CA 1.149 57.362 56.048 0.275 0.000 1.143 114 H CB -2.319 27.666 29.762 0.372 0.000 1.297 114 H HN 0.973 nan 8.280 nan 0.000 0.356 115 T N -2.707 112.069 114.554 0.370 0.000 2.926 115 T HA 0.615 4.965 4.350 -0.000 0.000 0.289 115 T C 1.732 176.583 174.700 0.252 0.000 1.054 115 T CA -0.527 61.828 62.100 0.424 0.000 1.015 115 T CB 1.703 70.836 68.868 0.443 0.000 1.167 115 T HN 0.227 nan 8.240 nan 0.000 0.526 116 I N -1.616 119.040 120.570 0.143 0.000 3.444 116 I HA 0.442 4.612 4.170 -0.000 0.000 0.287 116 I C 1.493 177.638 176.117 0.047 0.000 1.302 116 I CA 0.351 61.642 61.300 -0.015 0.000 1.368 116 I CB -0.887 36.960 38.000 -0.255 0.000 1.048 116 I HN 1.047 nan 8.210 nan 0.000 0.487 117 G N 1.164 110.037 108.800 0.121 0.000 2.179 117 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 117 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 117 G C 0.178 175.146 174.900 0.114 0.000 0.990 117 G CA -0.147 45.020 45.100 0.112 0.000 0.646 117 G HN 0.477 nan 8.290 nan 0.000 0.517 118 K N -0.083 120.397 120.400 0.133 0.000 2.148 118 K HA 0.555 4.875 4.320 -0.000 0.000 0.239 118 K C 2.019 178.720 176.600 0.168 0.000 1.018 118 K CA 0.103 56.465 56.287 0.124 0.000 0.923 118 K CB 0.636 33.200 32.500 0.106 0.000 1.117 118 K HN 0.184 nan 8.250 nan 0.000 0.477 119 T N -2.529 112.100 114.554 0.126 0.000 2.995 119 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 119 T C 0.518 175.282 174.700 0.106 0.000 1.091 119 T CA 0.743 62.916 62.100 0.122 0.000 1.128 119 T CB -0.191 68.717 68.868 0.067 0.000 0.891 119 T HN 0.668 nan 8.240 nan 0.000 0.492 120 D N 0.406 120.853 120.400 0.079 0.000 2.414 120 D HA 0.229 4.869 4.640 -0.000 0.000 0.241 120 D C -0.687 175.678 176.300 0.108 0.000 1.008 120 D CA -1.258 52.695 54.000 -0.079 0.000 1.001 120 D CB 1.416 42.154 40.800 -0.104 0.000 1.277 120 D HN 0.517 nan 8.370 nan 0.000 0.538 121 Y N -1.598 118.783 120.300 0.136 0.000 2.919 121 Y HA 0.293 4.842 4.550 -0.000 0.000 0.245 121 Y C 0.542 176.431 175.900 -0.018 0.000 0.959 121 Y CA -0.494 57.703 58.100 0.161 0.000 1.118 121 Y CB -0.266 38.288 38.460 0.157 0.000 1.224 121 Y HN 0.217 nan 8.280 nan 0.000 0.658 122 S N -1.196 114.501 115.700 -0.005 0.000 2.603 122 S HA -0.096 4.374 4.470 -0.000 0.000 0.220 122 S C 1.363 175.963 174.600 0.001 0.000 0.967 122 S CA 0.451 58.644 58.200 -0.011 0.000 0.920 122 S CB -1.082 62.095 63.200 -0.038 0.000 0.773 122 S HN 0.711 nan 8.310 nan 0.000 0.529 123 Y N 1.244 121.604 120.300 0.100 0.000 2.274 123 Y HA -0.036 4.514 4.550 -0.000 0.000 0.290 123 Y C 2.404 178.295 175.900 -0.015 0.000 1.145 123 Y CA 1.101 59.223 58.100 0.036 0.000 1.203 123 Y CB -0.787 37.696 38.460 0.038 0.000 0.984 123 Y HN 0.346 nan 8.280 nan 0.000 0.533 124 Q N 0.636 120.129 119.800 -0.511 0.000 2.050 124 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 124 Q C 2.230 178.055 176.000 -0.291 0.000 0.980 124 Q CA 1.896 57.469 55.803 -0.383 0.000 0.840 124 Q CB -0.253 28.113 28.738 -0.621 0.000 0.898 124 Q HN 0.582 nan 8.270 nan 0.000 0.424 125 L N 1.120 122.223 121.223 -0.201 0.000 2.083 125 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 125 L C 1.999 178.743 176.870 -0.210 0.000 1.083 125 L CA 1.839 56.530 54.840 -0.249 0.000 0.752 125 L CB -0.445 41.603 42.059 -0.019 0.000 0.899 125 L HN 0.203 nan 8.230 nan 0.000 0.433 126 E N -0.538 119.600 120.200 -0.104 0.000 2.110 126 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 126 E C 2.178 178.729 176.600 -0.082 0.000 0.988 126 E CA 1.730 58.093 56.400 -0.061 0.000 0.804 126 E CB -0.295 29.403 29.700 -0.003 0.000 0.745 126 E HN 0.596 nan 8.360 nan 0.000 0.458 127 M N -0.042 119.502 119.600 -0.093 0.000 2.156 127 M HA -0.069 4.411 4.480 -0.000 0.000 0.264 127 M C 2.358 178.562 176.300 -0.159 0.000 1.067 127 M CA 1.417 56.663 55.300 -0.090 0.000 1.131 127 M CB -0.212 32.359 32.600 -0.049 0.000 1.368 127 M HN 0.031 nan 8.290 nan 0.000 0.416 128 A N 0.451 123.089 122.820 -0.303 0.000 1.972 128 A HA -0.136 4.183 4.320 -0.000 0.000 0.219 128 A C 2.138 179.586 177.584 -0.225 0.000 1.169 128 A CA 1.376 53.183 52.037 -0.383 0.000 0.635 128 A CB -0.599 17.817 19.000 -0.973 0.000 0.810 128 A HN 0.415 nan 8.150 nan 0.000 0.446 129 R N -1.114 119.277 120.500 -0.182 0.000 2.105 129 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 129 R C 2.251 178.503 176.300 -0.080 0.000 1.135 129 R CA 1.532 57.580 56.100 -0.087 0.000 0.967 129 R CB -0.265 30.000 30.300 -0.059 0.000 0.861 129 R HN 0.453 nan 8.270 nan 0.000 0.442 130 Q N 0.016 119.759 119.800 -0.096 0.000 2.234 130 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 130 Q C 1.529 177.428 176.000 -0.169 0.000 0.980 130 Q CA 1.346 57.086 55.803 -0.105 0.000 0.869 130 Q CB 0.210 28.903 28.738 -0.076 0.000 0.912 130 Q HN 0.390 nan 8.270 nan 0.000 0.436 131 V N -3.306 116.514 119.914 -0.158 0.000 3.070 131 V HA 0.462 4.581 4.120 -0.000 0.000 0.345 131 V C -0.059 175.995 176.094 -0.066 0.000 1.403 131 V CA 0.128 62.302 62.300 -0.210 0.000 1.155 131 V CB 0.046 31.784 31.823 -0.141 0.000 1.140 131 V HN 0.135 nan 8.190 nan 0.000 0.505 132 T N -2.980 111.581 114.554 0.013 0.000 2.883 132 T HA 0.389 4.739 4.350 -0.000 0.000 0.296 132 T C 0.755 175.606 174.700 0.252 0.000 1.117 132 T CA 0.109 62.321 62.100 0.187 0.000 1.006 132 T CB 1.366 70.302 68.868 0.114 0.000 1.191 132 T HN 0.548 nan 8.240 nan 0.000 0.508 133 C N -0.120 119.315 119.300 0.224 0.000 2.673 133 C HA 0.775 5.235 4.460 -0.000 0.000 0.264 133 C C 0.928 175.972 174.990 0.089 0.000 1.304 133 C CA 0.102 59.213 59.018 0.155 0.000 1.727 133 C CB -1.606 26.165 27.740 0.051 0.000 1.932 133 C HN 1.187 nan 8.230 nan 0.000 0.563 134 A N 0.081 122.951 122.820 0.085 0.000 2.566 134 A HA 0.834 5.153 4.320 -0.000 0.000 0.297 134 A C -0.989 176.684 177.584 0.147 0.000 1.059 134 A CA 0.437 52.532 52.037 0.097 0.000 0.691 134 A CB 0.706 19.671 19.000 -0.058 0.000 1.282 134 A HN 1.690 nan 8.150 nan 0.000 0.401 135 A N 1.900 124.838 122.820 0.196 0.000 2.466 135 A HA 0.737 5.057 4.320 -0.000 0.000 0.284 135 A C -1.227 176.513 177.584 0.260 0.000 1.049 135 A CA -0.374 51.826 52.037 0.271 0.000 0.760 135 A CB 1.154 20.250 19.000 0.159 0.000 1.274 135 A HN 0.642 nan 8.150 nan 0.000 0.412 136 E N 0.538 120.906 120.200 0.279 0.000 2.343 136 E HA 0.588 4.938 4.350 -0.000 0.000 0.270 136 E C -1.141 175.555 176.600 0.161 0.000 0.895 136 E CA -0.554 55.955 56.400 0.181 0.000 0.767 136 E CB 2.268 32.051 29.700 0.138 0.000 1.248 136 E HN 0.440 nan 8.360 nan 0.000 0.440 137 S N 1.967 117.740 115.700 0.121 0.000 2.530 137 S HA 0.525 4.994 4.470 -0.000 0.000 0.322 137 S C -0.424 174.201 174.600 0.041 0.000 1.085 137 S CA -0.581 57.677 58.200 0.097 0.000 1.096 137 S CB 0.092 63.365 63.200 0.120 0.000 0.988 137 S HN 0.349 nan 8.310 nan 0.000 0.466 138 I N 4.178 124.755 120.570 0.012 0.000 2.325 138 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 138 I C 1.038 177.154 176.117 -0.003 0.000 1.019 138 I CA -0.092 61.206 61.300 -0.003 0.000 1.302 138 I CB 1.653 39.640 38.000 -0.022 0.000 1.401 138 I HN 0.598 nan 8.210 nan 0.000 0.485 139 T N 3.735 118.290 114.554 0.002 0.000 3.087 139 T HA 0.099 4.449 4.350 -0.000 0.000 0.283 139 T C -0.477 174.226 174.700 0.004 0.000 0.956 139 T CA -0.195 61.906 62.100 0.003 0.000 0.894 139 T CB -0.111 68.761 68.868 0.007 0.000 1.160 139 T HN 0.836 nan 8.240 nan 0.000 0.532 140 D N -0.692 119.712 120.400 0.005 0.000 2.655 140 D HA 0.420 5.060 4.640 -0.000 0.000 0.229 140 D C 0.726 177.033 176.300 0.011 0.000 1.229 140 D CA -0.457 53.552 54.000 0.014 0.000 0.807 140 D CB 1.471 42.286 40.800 0.026 0.000 1.514 140 D HN -0.046 nan 8.370 nan 0.000 0.444 141 A N 0.644 123.474 122.820 0.018 0.000 1.968 141 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 141 A C 1.954 179.534 177.584 -0.007 0.000 1.169 141 A CA 1.320 53.355 52.037 -0.003 0.000 0.638 141 A CB -1.016 17.990 19.000 0.009 0.000 0.812 141 A HN 0.790 nan 8.150 nan 0.000 0.446 142 H N 0.928 119.969 119.070 -0.049 0.000 2.326 142 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 142 H C 2.143 177.433 175.328 -0.065 0.000 1.081 142 H CA 2.037 58.055 56.048 -0.050 0.000 1.334 142 H CB 0.052 29.795 29.762 -0.033 0.000 1.385 142 H HN 0.568 nan 8.280 nan 0.000 0.504 143 S N -0.064 115.645 115.700 0.015 0.000 2.593 143 S HA 0.210 4.680 4.470 -0.000 0.000 0.217 143 S C 2.176 176.718 174.600 -0.098 0.000 0.966 143 S CA 0.342 58.517 58.200 -0.042 0.000 0.914 143 S CB 0.059 63.279 63.200 0.033 0.000 0.776 143 S HN 0.509 nan 8.310 nan 0.000 0.523 144 A N 3.311 126.054 122.820 -0.128 0.000 1.858 144 A HA 0.095 4.414 4.320 -0.000 0.000 0.216 144 A C 0.072 177.504 177.584 -0.254 0.000 1.190 144 A CA 1.433 53.375 52.037 -0.158 0.000 0.617 144 A CB -1.840 17.063 19.000 -0.162 0.000 0.827 144 A HN 0.523 nan 8.150 nan 0.000 0.443 145 P HA -0.174 nan 4.420 nan 0.000 0.215 145 P C 1.777 178.997 177.300 -0.132 0.000 1.157 145 P CA 2.154 64.920 63.100 -0.556 0.000 0.874 145 P CB -0.162 31.211 31.700 -0.546 0.000 0.790 146 A N -0.231 122.528 122.820 -0.102 0.000 1.902 146 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 146 A C 2.116 179.725 177.584 0.042 0.000 1.181 146 A CA 1.791 53.818 52.037 -0.016 0.000 0.623 146 A CB -1.034 17.941 19.000 -0.041 0.000 0.818 146 A HN 0.143 nan 8.150 nan 0.000 0.443 147 K N -0.574 119.837 120.400 0.018 0.000 2.025 147 K HA -0.023 4.297 4.320 -0.000 0.000 0.207 147 K C 1.873 178.537 176.600 0.107 0.000 1.049 147 K CA 1.430 57.760 56.287 0.071 0.000 0.933 147 K CB -0.372 32.148 32.500 0.033 0.000 0.714 147 K HN 0.516 nan 8.250 nan 0.000 0.438 148 I N 1.706 122.321 120.570 0.074 0.000 2.163 148 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 148 I C 1.693 177.890 176.117 0.133 0.000 1.085 148 I CA 1.388 62.755 61.300 0.111 0.000 1.347 148 I CB -0.317 37.794 38.000 0.184 0.000 1.044 148 I HN 0.123 nan 8.210 nan 0.000 0.408 149 D N -0.527 119.973 120.400 0.167 0.000 2.117 149 D HA -0.239 4.401 4.640 -0.000 0.000 0.197 149 D C 1.975 178.341 176.300 0.110 0.000 0.987 149 D CA 1.400 55.483 54.000 0.139 0.000 0.829 149 D CB -0.421 40.469 40.800 0.151 0.000 0.961 149 D HN 0.434 nan 8.370 nan 0.000 0.460 150 H N 0.567 119.663 119.070 0.043 0.000 2.321 150 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 150 H C 2.023 177.372 175.328 0.034 0.000 1.087 150 H CA 2.549 58.617 56.048 0.033 0.000 1.319 150 H CB -0.317 29.462 29.762 0.029 0.000 1.379 150 H HN 0.064 nan 8.280 nan 0.000 0.501 151 V N -0.781 119.082 119.914 -0.086 0.000 2.358 151 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 151 V C 2.408 178.439 176.094 -0.105 0.000 1.047 151 V CA 1.983 64.203 62.300 -0.134 0.000 1.035 151 V CB -0.858 30.966 31.823 0.002 0.000 0.658 151 V HN 0.473 nan 8.190 nan 0.000 0.452 152 I N -0.017 120.527 120.570 -0.043 0.000 2.142 152 I HA -0.182 3.988 4.170 -0.000 0.000 0.240 152 I C 3.150 179.238 176.117 -0.048 0.000 1.078 152 I CA 2.071 63.353 61.300 -0.029 0.000 1.343 152 I CB -0.448 37.551 38.000 -0.002 0.000 1.046 152 I HN 0.213 nan 8.210 nan 0.000 0.405 153 R N 0.015 120.485 120.500 -0.051 0.000 2.096 153 R HA -0.120 4.219 4.340 -0.000 0.000 0.235 153 R C 2.315 178.568 176.300 -0.079 0.000 1.127 153 R CA 1.921 57.993 56.100 -0.047 0.000 0.968 153 R CB -0.544 29.747 30.300 -0.016 0.000 0.861 153 R HN 0.391 nan 8.270 nan 0.000 0.440 154 T N 0.882 115.343 114.554 -0.154 0.000 2.737 154 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 154 T C 1.966 176.600 174.700 -0.109 0.000 1.038 154 T CA 1.282 63.286 62.100 -0.161 0.000 1.144 154 T CB -0.238 68.449 68.868 -0.302 0.000 0.866 154 T HN 0.342 nan 8.240 nan 0.000 0.434 155 A N 1.571 124.330 122.820 -0.101 0.000 1.873 155 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 155 A C 2.330 179.874 177.584 -0.066 0.000 1.193 155 A CA 1.434 53.427 52.037 -0.073 0.000 0.629 155 A CB -0.990 17.981 19.000 -0.049 0.000 0.826 155 A HN 0.473 nan 8.150 nan 0.000 0.447 156 L N -1.320 119.872 121.223 -0.052 0.000 2.056 156 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 156 L C 2.824 179.666 176.870 -0.047 0.000 1.078 156 L CA 1.772 56.587 54.840 -0.041 0.000 0.749 156 L CB -0.497 41.546 42.059 -0.028 0.000 0.901 156 L HN 0.507 nan 8.230 nan 0.000 0.433 157 R N 0.533 121.004 120.500 -0.048 0.000 2.075 157 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 157 R C 1.903 178.169 176.300 -0.057 0.000 1.126 157 R CA 1.512 57.586 56.100 -0.044 0.000 0.963 157 R CB -0.002 30.277 30.300 -0.036 0.000 0.858 157 R HN 0.370 nan 8.270 nan 0.000 0.435 158 E N -0.091 120.065 120.200 -0.073 0.000 2.478 158 E HA 0.006 4.356 4.350 -0.000 0.000 0.194 158 E C -0.386 176.138 176.600 -0.128 0.000 1.045 158 E CA -0.123 56.220 56.400 -0.096 0.000 0.868 158 E CB 0.456 30.094 29.700 -0.103 0.000 0.885 158 E HN 0.134 nan 8.360 nan 0.000 0.505 159 R N 1.267 121.700 120.500 -0.111 0.000 3.264 159 R HA -0.141 4.199 4.340 -0.000 0.000 0.251 159 R C -0.974 175.214 176.300 -0.187 0.000 0.971 159 R CA 0.679 56.708 56.100 -0.119 0.000 0.658 159 R CB -1.239 28.998 30.300 -0.104 0.000 1.095 159 R HN -0.044 nan 8.270 nan 0.000 0.443 160 K N -0.366 119.915 120.400 -0.199 0.000 2.477 160 K HA 0.527 4.847 4.320 -0.000 0.000 0.255 160 K C -2.631 173.887 176.600 -0.137 0.000 0.952 160 K CA -2.202 53.909 56.287 -0.294 0.000 0.826 160 K CB 2.139 34.368 32.500 -0.451 0.000 1.331 160 K HN -0.147 nan 8.250 nan 0.000 0.437 161 P HA 0.325 nan 4.420 nan 0.000 0.276 161 P C -1.128 176.198 177.300 0.043 0.000 1.244 161 P CA -0.374 62.727 63.100 0.001 0.000 0.801 161 P CB 1.043 32.756 31.700 0.022 0.000 1.006 162 A N 1.366 124.216 122.820 0.051 0.000 2.532 162 A HA 0.679 4.999 4.320 -0.000 0.000 0.290 162 A C -1.901 175.765 177.584 0.138 0.000 1.143 162 A CA -0.636 51.451 52.037 0.082 0.000 0.728 162 A CB 1.338 20.355 19.000 0.028 0.000 1.317 162 A HN 0.593 nan 8.150 nan 0.000 0.414 163 Y N 0.215 120.525 120.300 0.017 0.000 2.462 163 Y HA 0.760 5.310 4.550 -0.000 0.000 0.346 163 Y C -1.520 174.398 175.900 0.030 0.000 0.976 163 Y CA -0.945 57.166 58.100 0.018 0.000 1.044 163 Y CB 1.538 40.006 38.460 0.014 0.000 1.230 163 Y HN 0.667 nan 8.280 nan 0.000 0.455 164 L N 5.500 126.329 121.223 -0.656 0.000 2.410 164 L HA 0.387 4.726 4.340 -0.000 0.000 0.270 164 L C -1.475 174.947 176.870 -0.746 0.000 0.983 164 L CA -0.862 53.663 54.840 -0.525 0.000 0.822 164 L CB 1.964 43.891 42.059 -0.221 0.000 1.285 164 L HN 0.714 nan 8.230 nan 0.000 0.409 165 D N 4.028 124.178 120.400 -0.417 0.000 2.193 165 D HA 0.559 5.199 4.640 -0.000 0.000 0.244 165 D C -0.576 175.671 176.300 -0.090 0.000 1.064 165 D CA 0.069 53.964 54.000 -0.175 0.000 0.845 165 D CB 2.212 43.030 40.800 0.030 0.000 1.148 165 D HN 0.231 nan 8.370 nan 0.000 0.464 166 I N 1.713 122.245 120.570 -0.064 0.000 2.439 166 I HA 0.349 4.519 4.170 -0.000 0.000 0.285 166 I C 0.248 176.346 176.117 -0.032 0.000 1.021 166 I CA -1.050 60.227 61.300 -0.038 0.000 1.091 166 I CB 1.874 39.855 38.000 -0.033 0.000 1.242 166 I HN 0.287 nan 8.210 nan 0.000 0.439 167 A N 4.444 127.244 122.820 -0.034 0.000 2.546 167 A HA 0.035 4.355 4.320 -0.000 0.000 0.243 167 A C 1.499 179.080 177.584 -0.005 0.000 1.063 167 A CA 0.014 52.026 52.037 -0.041 0.000 0.757 167 A CB 0.028 19.013 19.000 -0.025 0.000 0.991 167 A HN 1.136 nan 8.150 nan 0.000 0.503 168 C N 2.313 121.627 119.300 0.023 0.000 2.413 168 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 168 C C 2.060 177.074 174.990 0.041 0.000 1.265 168 C CA 1.071 60.128 59.018 0.066 0.000 1.752 168 C CB -1.378 26.449 27.740 0.146 0.000 1.998 168 C HN 0.914 nan 8.230 nan 0.000 0.489 169 N N 1.640 120.359 118.700 0.032 0.000 2.512 169 N HA -0.014 4.725 4.740 -0.000 0.000 0.183 169 N C 1.318 176.835 175.510 0.013 0.000 1.073 169 N CA 0.991 54.054 53.050 0.023 0.000 0.911 169 N CB -0.559 37.943 38.487 0.024 0.000 0.964 169 N HN 0.612 nan 8.380 nan 0.000 0.447 170 I N 0.439 121.014 120.570 0.008 0.000 3.645 170 I HA 0.128 4.297 4.170 -0.000 0.000 0.300 170 I C 2.294 178.407 176.117 -0.007 0.000 1.260 170 I CA 0.143 61.443 61.300 -0.000 0.000 1.365 170 I CB 0.065 38.063 38.000 -0.003 0.000 1.077 170 I HN 0.082 nan 8.210 nan 0.000 0.439 171 A N -0.167 122.650 122.820 -0.005 0.000 1.986 171 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 171 A C 2.370 179.942 177.584 -0.021 0.000 1.171 171 A CA 2.206 54.235 52.037 -0.013 0.000 0.640 171 A CB -0.577 18.422 19.000 -0.003 0.000 0.811 171 A HN 0.363 nan 8.150 nan 0.000 0.451 172 S N -0.265 115.428 115.700 -0.011 0.000 2.527 172 S HA 0.040 4.509 4.470 -0.000 0.000 0.222 172 S C 0.552 175.146 174.600 -0.009 0.000 0.985 172 S CA -0.071 58.121 58.200 -0.013 0.000 0.921 172 S CB -0.077 63.121 63.200 -0.003 0.000 0.772 172 S HN 0.537 nan 8.310 nan 0.000 0.529 173 E N 2.401 122.598 120.200 -0.005 0.000 2.373 173 E HA 0.185 4.535 4.350 -0.000 0.000 0.267 173 E C -2.531 174.076 176.600 0.012 0.000 1.032 173 E CA -2.288 54.115 56.400 0.005 0.000 0.889 173 E CB 0.083 29.786 29.700 0.005 0.000 0.984 173 E HN 0.104 nan 8.360 nan 0.000 0.425 174 P HA -0.032 nan 4.420 nan 0.000 0.267 174 P C -0.424 176.915 177.300 0.064 0.000 1.200 174 P CA 0.032 63.165 63.100 0.056 0.000 0.772 174 P CB 0.558 32.291 31.700 0.054 0.000 0.855 175 C N 2.754 122.128 119.300 0.122 0.000 3.170 175 C HA 0.488 4.948 4.460 -0.000 0.000 0.319 175 C C -0.125 174.983 174.990 0.197 0.000 1.260 175 C CA -0.590 58.499 59.018 0.117 0.000 1.374 175 C CB 0.881 28.681 27.740 0.100 0.000 1.739 175 C HN 0.606 nan 8.230 nan 0.000 0.479 176 V N 3.470 123.442 119.914 0.097 0.000 3.096 176 V HA 0.482 4.601 4.120 -0.000 0.000 0.306 176 V C 0.254 176.461 176.094 0.188 0.000 1.088 176 V CA -0.072 62.279 62.300 0.086 0.000 1.129 176 V CB 0.141 31.982 31.823 0.028 0.000 1.014 176 V HN 0.945 nan 8.190 nan 0.000 0.486 177 R N 2.644 123.121 120.500 -0.038 0.000 2.500 177 R HA 0.508 4.848 4.340 -0.000 0.000 0.277 177 R C -2.365 173.938 176.300 0.005 0.000 1.026 177 R CA -1.629 54.333 56.100 -0.231 0.000 1.058 177 R CB 0.803 30.758 30.300 -0.574 0.000 1.078 177 R HN 0.705 nan 8.270 nan 0.000 0.509 178 P HA 0.105 nan 4.420 nan 0.000 0.279 178 P C -0.303 176.925 177.300 -0.120 0.000 1.239 178 P CA -0.337 62.650 63.100 -0.189 0.000 0.789 178 P CB 1.070 32.442 31.700 -0.548 0.000 0.933 179 G N 3.202 111.964 108.800 -0.063 0.000 2.562 179 G HA2 0.435 4.395 3.960 -0.000 0.000 0.275 179 G HA3 0.435 4.395 3.960 -0.000 0.000 0.275 179 G C -2.302 172.563 174.900 -0.057 0.000 1.196 179 G CA -1.135 43.934 45.100 -0.051 0.000 0.908 179 G HN 0.416 nan 8.290 nan 0.000 0.524 180 P HA 0.300 nan 4.420 nan 0.000 0.271 180 P C -0.295 176.987 177.300 -0.031 0.000 1.218 180 P CA -0.099 62.977 63.100 -0.040 0.000 0.780 180 P CB 1.362 33.042 31.700 -0.032 0.000 0.901 181 V N -1.700 118.197 119.914 -0.029 0.000 2.962 181 V HA 0.428 4.548 4.120 -0.000 0.000 0.313 181 V C 1.231 177.314 176.094 -0.017 0.000 1.099 181 V CA -0.542 61.745 62.300 -0.021 0.000 0.971 181 V CB 1.255 33.064 31.823 -0.022 0.000 1.028 181 V HN 0.487 nan 8.190 nan 0.000 0.430 182 S N 1.258 116.951 115.700 -0.011 0.000 2.345 182 S HA 0.070 4.540 4.470 -0.000 0.000 0.220 182 S C 0.919 175.513 174.600 -0.010 0.000 1.031 182 S CA 1.640 59.835 58.200 -0.009 0.000 0.996 182 S CB -0.131 63.066 63.200 -0.004 0.000 0.882 182 S HN 1.513 nan 8.310 nan 0.000 0.445 183 S N -1.222 114.473 115.700 -0.009 0.000 2.552 183 S HA 0.428 4.898 4.470 -0.000 0.000 0.272 183 S C -0.607 173.987 174.600 -0.009 0.000 1.150 183 S CA -0.684 57.510 58.200 -0.010 0.000 0.849 183 S CB 0.694 63.890 63.200 -0.007 0.000 1.113 183 S HN 0.061 nan 8.310 nan 0.000 0.458 184 L N 2.289 123.506 121.223 -0.011 0.000 2.554 184 L HA 0.465 4.805 4.340 -0.000 0.000 0.226 184 L C 0.337 177.201 176.870 -0.009 0.000 1.137 184 L CA 0.722 55.556 54.840 -0.010 0.000 0.863 184 L CB -0.585 41.466 42.059 -0.013 0.000 0.985 184 L HN 0.687 nan 8.230 nan 0.000 0.451 185 L N 0.467 121.684 121.223 -0.009 0.000 2.265 185 L HA 0.452 4.792 4.340 -0.000 0.000 0.288 185 L C -0.005 176.862 176.870 -0.006 0.000 1.058 185 L CA -0.019 54.814 54.840 -0.011 0.000 0.809 185 L CB 0.925 42.977 42.059 -0.013 0.000 1.179 185 L HN 0.187 nan 8.230 nan 0.000 0.429 186 S N 3.801 119.498 115.700 -0.005 0.000 2.776 186 S HA 0.555 5.025 4.470 -0.000 0.000 0.284 186 S C -0.709 173.892 174.600 0.000 0.000 1.160 186 S CA -0.954 57.246 58.200 0.001 0.000 1.051 186 S CB 0.885 64.089 63.200 0.006 0.000 1.037 186 S HN 0.671 nan 8.310 nan 0.000 0.485 187 E N 3.187 123.388 120.200 0.002 0.000 2.371 187 E HA 0.353 4.702 4.350 -0.000 0.000 0.257 187 E C -2.208 174.397 176.600 0.008 0.000 1.134 187 E CA -1.810 54.591 56.400 0.001 0.000 0.919 187 E CB -0.171 29.532 29.700 0.005 0.000 1.025 187 E HN 0.497 nan 8.360 nan 0.000 0.438 188 P HA -0.011 nan 4.420 nan 0.000 0.271 188 P C -0.377 176.935 177.300 0.019 0.000 1.218 188 P CA -0.065 63.042 63.100 0.012 0.000 0.780 188 P CB 0.378 32.080 31.700 0.004 0.000 0.901 189 E N 2.765 122.981 120.200 0.027 0.000 2.452 189 E HA 0.037 4.386 4.350 -0.000 0.000 0.261 189 E C 0.163 176.780 176.600 0.028 0.000 0.987 189 E CA -0.583 55.840 56.400 0.037 0.000 0.926 189 E CB 0.402 30.133 29.700 0.051 0.000 0.934 189 E HN 0.339 nan 8.360 nan 0.000 0.452 190 I N 2.721 123.294 120.570 0.005 0.000 2.529 190 I HA 0.018 4.187 4.170 -0.000 0.000 0.284 190 I C -0.288 175.761 176.117 -0.113 0.000 1.082 190 I CA -0.011 61.254 61.300 -0.060 0.000 1.406 190 I CB 0.970 38.892 38.000 -0.129 0.000 1.405 190 I HN 0.725 nan 8.210 nan 0.000 0.548 191 D N 6.683 127.073 120.400 -0.016 0.000 2.352 191 D HA 0.065 4.705 4.640 -0.000 0.000 0.245 191 D C 0.769 177.070 176.300 0.003 0.000 1.224 191 D CA 0.004 54.029 54.000 0.042 0.000 0.879 191 D CB 0.397 41.264 40.800 0.110 0.000 1.057 191 D HN 0.581 nan 8.370 nan 0.000 0.491 192 H N 1.301 120.421 119.070 0.084 0.000 2.462 192 H HA -0.040 4.516 4.556 -0.000 0.000 0.292 192 H C 1.763 177.118 175.328 0.044 0.000 1.049 192 H CA 1.389 57.465 56.048 0.047 0.000 1.334 192 H CB 0.542 30.320 29.762 0.026 0.000 1.404 192 H HN 0.340 nan 8.280 nan 0.000 0.544 193 T N -0.953 113.699 114.554 0.163 0.000 2.708 193 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 193 T C 2.264 177.046 174.700 0.137 0.000 1.037 193 T CA 1.575 63.751 62.100 0.127 0.000 1.146 193 T CB -0.359 68.577 68.868 0.113 0.000 0.865 193 T HN 0.278 nan 8.240 nan 0.000 0.435 194 S N 0.469 116.278 115.700 0.181 0.000 2.368 194 S HA 0.068 4.537 4.470 -0.000 0.000 0.224 194 S C 1.981 176.701 174.600 0.200 0.000 1.029 194 S CA 0.513 58.886 58.200 0.289 0.000 0.988 194 S CB -0.507 62.916 63.200 0.372 0.000 0.838 194 S HN 0.382 nan 8.310 nan 0.000 0.462 195 L N 1.370 122.589 121.223 -0.008 0.000 2.012 195 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 195 L C 2.653 179.376 176.870 -0.245 0.000 1.073 195 L CA 1.950 56.514 54.840 -0.460 0.000 0.748 195 L CB -0.551 41.264 42.059 -0.407 0.000 0.891 195 L HN 0.388 nan 8.230 nan 0.000 0.431 196 K N -0.339 120.010 120.400 -0.086 0.000 2.063 196 K HA -0.206 4.113 4.320 -0.000 0.000 0.208 196 K C 1.920 178.475 176.600 -0.075 0.000 1.048 196 K CA 1.491 57.744 56.287 -0.057 0.000 0.928 196 K CB -0.059 32.444 32.500 0.005 0.000 0.713 196 K HN 0.410 nan 8.250 nan 0.000 0.442 197 A N 0.813 123.606 122.820 -0.045 0.000 1.929 197 A HA -0.019 4.300 4.320 -0.000 0.000 0.216 197 A C 2.255 179.596 177.584 -0.405 0.000 1.176 197 A CA 1.592 53.593 52.037 -0.060 0.000 0.628 197 A CB -0.533 18.569 19.000 0.170 0.000 0.816 197 A HN 0.463 nan 8.150 nan 0.000 0.444 198 A N -0.475 121.992 122.820 -0.588 0.000 1.898 198 A HA 0.030 4.349 4.320 -0.000 0.000 0.216 198 A C 2.215 179.683 177.584 -0.193 0.000 1.181 198 A CA 1.733 53.304 52.037 -0.777 0.000 0.620 198 A CB -0.871 17.925 19.000 -0.340 0.000 0.819 198 A HN 0.351 nan 8.150 nan 0.000 0.442 199 V N 0.635 120.490 119.914 -0.098 0.000 2.307 199 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 199 V C 2.196 178.229 176.094 -0.101 0.000 1.045 199 V CA 2.281 64.518 62.300 -0.105 0.000 1.024 199 V CB -0.894 30.810 31.823 -0.198 0.000 0.651 199 V HN 0.473 nan 8.190 nan 0.000 0.449 200 D N 0.609 120.947 120.400 -0.103 0.000 2.123 200 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 200 D C 2.195 178.467 176.300 -0.047 0.000 0.992 200 D CA 1.799 55.760 54.000 -0.065 0.000 0.833 200 D CB -0.384 40.389 40.800 -0.044 0.000 0.954 200 D HN 0.444 nan 8.370 nan 0.000 0.455 201 A N -0.006 122.769 122.820 -0.075 0.000 1.930 201 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 201 A C 2.340 179.930 177.584 0.011 0.000 1.175 201 A CA 1.958 53.983 52.037 -0.019 0.000 0.627 201 A CB -0.747 18.244 19.000 -0.014 0.000 0.815 201 A HN 0.230 nan 8.150 nan 0.000 0.443 202 T N -0.477 114.084 114.554 0.012 0.000 2.777 202 T HA -0.080 4.269 4.350 -0.000 0.000 0.266 202 T C 1.868 176.577 174.700 0.016 0.000 1.040 202 T CA 1.405 63.540 62.100 0.059 0.000 1.141 202 T CB -0.357 68.602 68.868 0.151 0.000 0.868 202 T HN 0.132 nan 8.240 nan 0.000 0.444 203 V N 1.792 121.694 119.914 -0.019 0.000 2.343 203 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 203 V C 2.904 178.992 176.094 -0.010 0.000 1.051 203 V CA 1.726 64.009 62.300 -0.028 0.000 1.036 203 V CB -1.196 30.599 31.823 -0.048 0.000 0.654 203 V HN 0.531 nan 8.190 nan 0.000 0.451 204 A N -0.230 122.588 122.820 -0.003 0.000 1.883 204 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 204 A C 2.169 179.761 177.584 0.013 0.000 1.186 204 A CA 2.228 54.269 52.037 0.006 0.000 0.624 204 A CB -0.615 18.393 19.000 0.013 0.000 0.822 204 A HN 0.457 nan 8.150 nan 0.000 0.444 205 L N -0.345 120.891 121.223 0.021 0.000 2.046 205 L HA -0.075 4.264 4.340 -0.000 0.000 0.208 205 L C 2.290 179.171 176.870 0.018 0.000 1.077 205 L CA 1.634 56.489 54.840 0.025 0.000 0.747 205 L CB -0.507 41.576 42.059 0.039 0.000 0.896 205 L HN 0.400 nan 8.230 nan 0.000 0.432 206 L N -0.744 120.487 121.223 0.014 0.000 2.046 206 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 206 L C 2.527 179.399 176.870 0.003 0.000 1.077 206 L CA 1.471 56.316 54.840 0.008 0.000 0.747 206 L CB -0.528 41.532 42.059 0.001 0.000 0.896 206 L HN 0.340 nan 8.230 nan 0.000 0.432 207 E N 0.452 120.653 120.200 0.000 0.000 2.085 207 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 207 E C 1.786 178.387 176.600 0.002 0.000 0.994 207 E CA 1.605 58.004 56.400 -0.001 0.000 0.801 207 E CB 0.072 29.770 29.700 -0.003 0.000 0.743 207 E HN 0.445 nan 8.360 nan 0.000 0.453 208 K N -0.110 120.293 120.400 0.005 0.000 2.458 208 K HA 0.166 4.486 4.320 -0.000 0.000 0.194 208 K C 0.043 176.646 176.600 0.005 0.000 1.024 208 K CA 0.009 56.300 56.287 0.005 0.000 1.108 208 K CB 0.764 33.268 32.500 0.007 0.000 0.846 208 K HN -0.206 nan 8.250 nan 0.000 0.518 209 S N 0.318 116.021 115.700 0.005 0.000 2.586 209 S HA 0.474 4.944 4.470 -0.000 0.000 0.274 209 S C 0.849 175.450 174.600 0.002 0.000 1.281 209 S CA -0.413 57.789 58.200 0.004 0.000 1.035 209 S CB 1.625 64.828 63.200 0.005 0.000 0.962 209 S HN 0.400 nan 8.310 nan 0.000 0.512 210 A N 1.916 124.737 122.820 0.001 0.000 1.887 210 A HA 0.237 4.557 4.320 -0.000 0.000 0.212 210 A C 1.008 178.592 177.584 0.000 0.000 1.198 210 A CA 0.701 52.739 52.037 0.001 0.000 0.628 210 A CB -0.161 18.839 19.000 0.001 0.000 0.847 210 A HN 0.990 nan 8.150 nan 0.000 0.449 211 S N -0.241 115.458 115.700 -0.002 0.000 2.381 211 S HA 0.560 5.030 4.470 -0.000 0.000 0.193 211 S C -3.375 171.220 174.600 -0.009 0.000 1.287 211 S CA -1.389 56.809 58.200 -0.005 0.000 1.199 211 S CB 1.284 64.481 63.200 -0.006 0.000 1.214 211 S HN 0.042 nan 8.310 nan 0.000 0.444 212 P HA 0.468 nan 4.420 nan 0.000 0.279 212 P C -0.716 176.573 177.300 -0.019 0.000 1.239 212 P CA -0.472 62.623 63.100 -0.009 0.000 0.789 212 P CB 1.153 32.852 31.700 -0.002 0.000 0.933 213 V N 3.540 123.437 119.914 -0.030 0.000 2.769 213 V HA 0.450 4.570 4.120 -0.000 0.000 0.312 213 V C 0.143 176.207 176.094 -0.050 0.000 1.061 213 V CA -0.700 61.570 62.300 -0.050 0.000 0.931 213 V CB 1.932 33.713 31.823 -0.071 0.000 1.010 213 V HN 0.482 nan 8.190 nan 0.000 0.433 214 M N 4.142 123.697 119.600 -0.074 0.000 2.238 214 M HA 0.554 5.033 4.480 -0.000 0.000 0.350 214 M C -1.210 175.034 176.300 -0.093 0.000 1.138 214 M CA -0.558 54.695 55.300 -0.078 0.000 1.040 214 M CB 1.604 34.134 32.600 -0.117 0.000 1.639 214 M HN 0.488 nan 8.290 nan 0.000 0.451 215 L N 5.514 126.710 121.223 -0.045 0.000 2.349 215 L HA 0.606 4.945 4.340 -0.000 0.000 0.278 215 L C -1.633 175.239 176.870 0.003 0.000 0.996 215 L CA -0.233 54.594 54.840 -0.022 0.000 0.825 215 L CB 1.150 43.214 42.059 0.010 0.000 1.243 215 L HN 0.624 nan 8.230 nan 0.000 0.412 216 L N 5.077 126.296 121.223 -0.007 0.000 2.295 216 L HA 0.777 5.117 4.340 -0.000 0.000 0.285 216 L C 0.701 177.582 176.870 0.018 0.000 1.035 216 L CA -0.523 54.328 54.840 0.020 0.000 0.806 216 L CB 1.416 43.500 42.059 0.041 0.000 1.214 216 L HN 0.768 nan 8.230 nan 0.000 0.426 217 G N 0.009 108.818 108.800 0.016 0.000 2.597 217 G HA2 0.355 4.315 3.960 -0.000 0.000 0.317 217 G HA3 0.355 4.315 3.960 -0.000 0.000 0.317 217 G C 0.610 175.553 174.900 0.072 0.000 1.230 217 G CA -0.134 44.940 45.100 -0.043 0.000 0.996 217 G HN 0.644 nan 8.290 nan 0.000 0.490 218 S N -1.224 114.476 115.700 -0.000 0.000 2.607 218 S HA 0.033 4.502 4.470 -0.000 0.000 0.224 218 S C 1.345 176.069 174.600 0.206 0.000 0.969 218 S CA 0.456 58.741 58.200 0.141 0.000 0.927 218 S CB 0.015 63.173 63.200 -0.069 0.000 0.772 218 S HN 0.511 nan 8.310 nan 0.000 0.533 219 K N 0.168 120.609 120.400 0.067 0.000 2.404 219 K HA 0.289 4.609 4.320 -0.000 0.000 0.194 219 K C 1.267 177.838 176.600 -0.049 0.000 1.023 219 K CA -0.144 56.144 56.287 0.002 0.000 1.094 219 K CB -0.084 32.397 32.500 -0.033 0.000 0.841 219 K HN 0.220 nan 8.250 nan 0.000 0.523 220 L N 1.533 122.730 121.223 -0.043 0.000 2.083 220 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 220 L C 2.334 179.012 176.870 -0.321 0.000 1.083 220 L CA 1.736 56.492 54.840 -0.140 0.000 0.752 220 L CB -0.256 41.770 42.059 -0.054 0.000 0.899 220 L HN 0.077 nan 8.230 nan 0.000 0.433 221 R N -1.022 119.109 120.500 -0.615 0.000 2.062 221 R HA -0.076 4.263 4.340 -0.000 0.000 0.229 221 R C 2.209 178.351 176.300 -0.263 0.000 1.128 221 R CA 1.183 56.946 56.100 -0.562 0.000 0.960 221 R CB -0.351 29.465 30.300 -0.806 0.000 0.855 221 R HN 0.414 nan 8.270 nan 0.000 0.432 222 A N 0.755 123.463 122.820 -0.186 0.000 1.940 222 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 222 A C 2.196 179.722 177.584 -0.096 0.000 1.176 222 A CA 1.683 53.653 52.037 -0.112 0.000 0.631 222 A CB -0.692 18.257 19.000 -0.085 0.000 0.814 222 A HN 0.516 nan 8.150 nan 0.000 0.446 223 A N -0.945 121.818 122.820 -0.095 0.000 2.235 223 A HA 0.155 4.474 4.320 -0.000 0.000 0.208 223 A C 0.977 178.527 177.584 -0.058 0.000 1.172 223 A CA 0.894 52.895 52.037 -0.061 0.000 0.786 223 A CB -0.713 18.263 19.000 -0.040 0.000 0.804 223 A HN 0.826 nan 8.150 nan 0.000 0.479 224 N N -2.231 116.415 118.700 -0.091 0.000 2.714 224 N HA -0.219 4.521 4.740 -0.000 0.000 0.253 224 N C 0.221 175.694 175.510 -0.061 0.000 1.024 224 N CA 1.033 54.034 53.050 -0.082 0.000 0.726 224 N CB -1.306 37.148 38.487 -0.055 0.000 0.908 224 N HN 0.628 nan 8.380 nan 0.000 0.542 225 A N -0.266 122.508 122.820 -0.076 0.000 2.589 225 A HA 0.375 4.695 4.320 -0.000 0.000 0.283 225 A C 1.678 179.244 177.584 -0.029 0.000 1.187 225 A CA -0.301 51.717 52.037 -0.031 0.000 0.957 225 A CB 0.161 19.160 19.000 -0.001 0.000 1.175 225 A HN 0.302 nan 8.150 nan 0.000 0.532 226 L N -0.608 120.574 121.223 -0.068 0.000 1.976 226 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 226 L C 3.042 179.909 176.870 -0.005 0.000 1.071 226 L CA 1.650 56.465 54.840 -0.042 0.000 0.746 226 L CB -0.711 41.293 42.059 -0.092 0.000 0.890 226 L HN 0.439 nan 8.230 nan 0.000 0.432 227 A N 0.131 122.937 122.820 -0.023 0.000 1.902 227 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 227 A C 2.529 180.118 177.584 0.008 0.000 1.181 227 A CA 1.815 53.843 52.037 -0.015 0.000 0.623 227 A CB -0.757 18.230 19.000 -0.022 0.000 0.818 227 A HN 0.425 nan 8.150 nan 0.000 0.443 228 A N -1.174 121.652 122.820 0.010 0.000 1.933 228 A HA -0.100 4.219 4.320 -0.000 0.000 0.218 228 A C 2.297 179.904 177.584 0.038 0.000 1.175 228 A CA 2.323 54.370 52.037 0.016 0.000 0.628 228 A CB -1.235 17.774 19.000 0.015 0.000 0.814 228 A HN 0.428 nan 8.150 nan 0.000 0.444 229 T N 0.105 114.698 114.554 0.065 0.000 2.746 229 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 229 T C 1.835 176.639 174.700 0.173 0.000 1.039 229 T CA 1.708 63.874 62.100 0.109 0.000 1.142 229 T CB -0.257 68.696 68.868 0.142 0.000 0.866 229 T HN 0.905 nan 8.240 nan 0.000 0.444 230 E N 0.388 120.692 120.200 0.174 0.000 2.358 230 E HA -0.056 4.293 4.350 -0.000 0.000 0.195 230 E C 1.803 178.484 176.600 0.135 0.000 1.010 230 E CA 1.015 57.523 56.400 0.180 0.000 0.856 230 E CB -0.312 29.351 29.700 -0.062 0.000 0.795 230 E HN 0.267 nan 8.360 nan 0.000 0.504 231 T N 1.366 115.969 114.554 0.082 0.000 2.737 231 T HA -0.106 4.243 4.350 -0.000 0.000 0.265 231 T C 1.669 176.404 174.700 0.059 0.000 1.038 231 T CA 1.113 63.249 62.100 0.060 0.000 1.144 231 T CB -0.233 68.649 68.868 0.023 0.000 0.866 231 T HN 0.134 nan 8.240 nan 0.000 0.434 232 L N 1.536 122.787 121.223 0.046 0.000 2.083 232 L HA 0.085 4.425 4.340 -0.000 0.000 0.209 232 L C 2.563 179.465 176.870 0.053 0.000 1.083 232 L CA 1.794 56.648 54.840 0.023 0.000 0.752 232 L CB -0.932 41.126 42.059 -0.001 0.000 0.899 232 L HN 0.218 nan 8.230 nan 0.000 0.433 233 A N -0.925 121.953 122.820 0.097 0.000 1.972 233 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 233 A C 1.966 179.672 177.584 0.204 0.000 1.169 233 A CA 1.790 53.901 52.037 0.124 0.000 0.635 233 A CB -0.737 18.341 19.000 0.131 0.000 0.810 233 A HN 0.535 nan 8.150 nan 0.000 0.446 234 D N -0.515 120.015 120.400 0.217 0.000 2.144 234 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 234 D C 1.926 178.287 176.300 0.102 0.000 0.978 234 D CA 1.568 55.681 54.000 0.187 0.000 0.833 234 D CB -0.103 40.782 40.800 0.143 0.000 0.961 234 D HN 0.440 nan 8.370 nan 0.000 0.470 235 K N 0.595 121.036 120.400 0.069 0.000 2.031 235 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 235 K C 2.118 178.737 176.600 0.032 0.000 1.049 235 K CA 0.588 56.895 56.287 0.034 0.000 0.939 235 K CB -0.354 32.151 32.500 0.009 0.000 0.717 235 K HN 0.053 nan 8.250 nan 0.000 0.438 236 L N 0.389 121.634 121.223 0.037 0.000 2.217 236 L HA -0.098 4.241 4.340 -0.000 0.000 0.211 236 L C 0.687 177.582 176.870 0.041 0.000 1.107 236 L CA 0.877 55.733 54.840 0.028 0.000 0.783 236 L CB -0.119 41.950 42.059 0.018 0.000 0.919 236 L HN 0.381 nan 8.230 nan 0.000 0.442 237 Q N -1.618 118.225 119.800 0.072 0.000 2.305 237 Q HA -0.255 4.085 4.340 -0.000 0.000 0.203 237 Q C 0.626 176.672 176.000 0.076 0.000 0.663 237 Q CA 1.273 57.125 55.803 0.082 0.000 1.389 237 Q CB -2.729 26.040 28.738 0.051 0.000 1.566 237 Q HN 0.717 nan 8.270 nan 0.000 0.755 238 C N -1.121 118.212 119.300 0.055 0.000 2.470 238 C HA 0.836 5.295 4.460 -0.000 0.000 0.350 238 C C 1.262 176.266 174.990 0.023 0.000 1.341 238 C CA -0.299 58.735 59.018 0.028 0.000 2.440 238 C CB 0.495 28.237 27.740 0.004 0.000 2.295 238 C HN 0.503 nan 8.230 nan 0.000 0.645 239 A N 0.797 123.612 122.820 -0.008 0.000 2.477 239 A HA 0.532 4.852 4.320 -0.000 0.000 0.246 239 A C -0.154 177.372 177.584 -0.097 0.000 1.078 239 A CA -0.142 51.874 52.037 -0.036 0.000 0.770 239 A CB -0.259 18.711 19.000 -0.050 0.000 1.011 239 A HN 1.182 nan 8.150 nan 0.000 0.494 240 V N 3.221 123.045 119.914 -0.151 0.000 2.409 240 V HA 0.609 4.728 4.120 -0.000 0.000 0.291 240 V C 0.416 176.340 176.094 -0.284 0.000 1.020 240 V CA 0.012 62.129 62.300 -0.306 0.000 0.848 240 V CB 1.435 32.843 31.823 -0.692 0.000 0.990 240 V HN 1.129 nan 8.190 nan 0.000 0.430 241 T N 2.632 117.052 114.554 -0.224 0.000 2.924 241 T HA 0.867 5.216 4.350 -0.000 0.000 0.291 241 T C -0.603 174.065 174.700 -0.054 0.000 1.045 241 T CA -0.742 61.258 62.100 -0.166 0.000 1.015 241 T CB 2.085 70.893 68.868 -0.099 0.000 1.103 241 T HN 0.612 nan 8.240 nan 0.000 0.496 242 I N -0.796 119.789 120.570 0.025 0.000 2.603 242 I HA 0.600 4.769 4.170 -0.000 0.000 0.300 242 I C -0.044 176.083 176.117 0.017 0.000 1.017 242 I CA -1.517 59.811 61.300 0.047 0.000 1.098 242 I CB 1.770 39.834 38.000 0.108 0.000 1.279 242 I HN 0.543 nan 8.210 nan 0.000 0.437 243 M N 3.221 122.794 119.600 -0.046 0.000 2.228 243 M HA 0.332 4.811 4.480 -0.000 0.000 0.326 243 M C 1.514 177.584 176.300 -0.384 0.000 1.122 243 M CA -0.172 55.026 55.300 -0.169 0.000 1.161 243 M CB 1.313 33.806 32.600 -0.177 0.000 1.437 243 M HN 0.960 nan 8.290 nan 0.000 0.465 244 A N 1.881 124.275 122.820 -0.711 0.000 1.896 244 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 244 A C 2.052 179.183 177.584 -0.756 0.000 1.206 244 A CA 2.612 54.078 52.037 -0.953 0.000 0.647 244 A CB -1.140 16.656 19.000 -2.007 0.000 0.828 244 A HN 0.963 nan 8.150 nan 0.000 0.455 245 A N -1.331 121.057 122.820 -0.720 0.000 2.239 245 A HA 0.438 4.758 4.320 -0.000 0.000 0.209 245 A C 1.785 179.000 177.584 -0.615 0.000 1.171 245 A CA 1.305 52.972 52.037 -0.617 0.000 0.768 245 A CB -0.565 18.130 19.000 -0.508 0.000 0.790 245 A HN 1.180 nan 8.150 nan 0.000 0.478 246 A N -0.585 121.890 122.820 -0.574 0.000 2.500 246 A HA 0.331 4.651 4.320 -0.000 0.000 0.267 246 A C 0.775 177.950 177.584 -0.682 0.000 1.290 246 A CA -0.221 51.386 52.037 -0.716 0.000 0.928 246 A CB -0.344 18.536 19.000 -0.201 0.000 1.066 246 A HN 0.351 nan 8.150 nan 0.000 0.516 247 K N 0.399 120.469 120.400 -0.550 0.000 2.453 247 K HA 0.314 4.633 4.320 -0.000 0.000 0.280 247 K C 1.189 177.590 176.600 -0.331 0.000 1.045 247 K CA 1.249 57.340 56.287 -0.327 0.000 1.059 247 K CB -0.200 32.149 32.500 -0.252 0.000 0.901 247 K HN 0.772 nan 8.250 nan 0.000 0.475 248 G N 3.936 112.653 108.800 -0.139 0.000 2.176 248 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.232 248 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.232 248 G C 0.272 175.287 174.900 0.191 0.000 0.986 248 G CA -0.019 45.066 45.100 -0.025 0.000 0.643 248 G HN 0.569 nan 8.290 nan 0.000 0.522 249 F N -0.244 119.709 119.950 0.005 0.000 2.811 249 F HA 0.573 5.100 4.527 -0.000 0.000 0.301 249 F C 0.746 176.618 175.800 0.120 0.000 1.151 249 F CA -0.772 57.249 58.000 0.035 0.000 1.412 249 F CB -0.282 38.735 39.000 0.028 0.000 1.113 249 F HN 0.165 nan 8.300 nan 0.000 0.579 250 F N 1.522 121.519 119.950 0.077 0.000 2.596 250 F HA 0.477 5.004 4.527 -0.000 0.000 0.311 250 F C -2.622 173.083 175.800 -0.158 0.000 1.116 250 F CA -2.825 55.160 58.000 -0.024 0.000 0.957 250 F CB 1.651 40.662 39.000 0.018 0.000 1.250 250 F HN -0.322 nan 8.300 nan 0.000 0.444 251 P HA 0.122 nan 4.420 nan 0.000 0.271 251 P C -0.333 176.723 177.300 -0.406 0.000 1.233 251 P CA 0.235 63.073 63.100 -0.436 0.000 0.764 251 P CB 0.789 32.252 31.700 -0.396 0.000 0.825 252 E N 1.536 121.452 120.200 -0.473 0.000 2.478 252 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 252 E C 0.740 177.261 176.600 -0.131 0.000 1.046 252 E CA 0.570 56.572 56.400 -0.664 0.000 0.870 252 E CB -0.104 29.210 29.700 -0.643 0.000 0.818 252 E HN 0.521 nan 8.360 nan 0.000 0.527 253 D N 0.289 120.636 120.400 -0.089 0.000 2.178 253 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 253 D C 0.588 176.928 176.300 0.066 0.000 0.980 253 D CA 0.737 54.731 54.000 -0.011 0.000 0.842 253 D CB -0.007 40.761 40.800 -0.053 0.000 0.948 253 D HN 0.160 nan 8.370 nan 0.000 0.472 254 H N -1.066 118.005 119.070 0.002 0.000 2.897 254 H HA 0.198 4.754 4.556 -0.000 0.000 0.347 254 H C 1.214 176.654 175.328 0.186 0.000 1.068 254 H CA 0.217 56.314 56.048 0.082 0.000 1.426 254 H CB 1.152 30.985 29.762 0.119 0.000 1.410 254 H HN 0.025 nan 8.280 nan 0.000 0.597 255 A N 3.415 126.218 122.820 -0.029 0.000 1.978 255 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 255 A C 2.269 180.011 177.584 0.263 0.000 1.170 255 A CA 1.602 53.687 52.037 0.080 0.000 0.636 255 A CB -0.765 18.209 19.000 -0.044 0.000 0.810 255 A HN 0.850 nan 8.150 nan 0.000 0.448 256 G N -2.251 106.892 108.800 0.572 0.000 3.042 256 G HA2 0.260 4.220 3.960 -0.000 0.000 0.212 256 G HA3 0.260 4.220 3.960 -0.000 0.000 0.212 256 G C 0.299 175.400 174.900 0.334 0.000 1.166 256 G CA -0.330 45.022 45.100 0.419 0.000 0.767 256 G HN 0.401 nan 8.290 nan 0.000 0.546 257 F N 1.581 121.721 119.950 0.316 0.000 2.543 257 F HA 0.378 4.905 4.527 -0.000 0.000 0.375 257 F C 1.197 177.065 175.800 0.114 0.000 1.075 257 F CA -0.399 57.727 58.000 0.210 0.000 1.225 257 F CB 0.894 40.086 39.000 0.319 0.000 1.099 257 F HN -0.145 nan 8.300 nan 0.000 0.561 258 R N 3.984 124.085 120.500 -0.665 0.000 2.531 258 R HA 0.345 4.685 4.340 -0.000 0.000 0.316 258 R C 0.594 176.530 176.300 -0.606 0.000 0.955 258 R CA 0.356 56.179 56.100 -0.461 0.000 1.120 258 R CB 0.300 30.469 30.300 -0.218 0.000 1.361 258 R HN 1.005 nan 8.270 nan 0.000 0.534 259 G N 1.137 109.210 108.800 -1.211 0.000 2.416 259 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.203 259 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.203 259 G C -1.515 173.230 174.900 -0.258 0.000 1.227 259 G CA -0.452 44.237 45.100 -0.685 0.000 1.041 259 G HN 0.116 nan 8.290 nan 0.000 0.546 260 L N 0.636 121.838 121.223 -0.034 0.000 2.275 260 L HA 0.783 5.123 4.340 -0.000 0.000 0.288 260 L C -0.322 176.636 176.870 0.147 0.000 1.046 260 L CA -1.041 53.840 54.840 0.068 0.000 0.805 260 L CB 0.953 43.075 42.059 0.105 0.000 1.193 260 L HN 0.826 nan 8.230 nan 0.000 0.426 261 Y N 5.904 126.230 120.300 0.044 0.000 2.353 261 Y HA 0.456 5.005 4.550 -0.000 0.000 0.340 261 Y C -1.175 174.857 175.900 0.220 0.000 0.972 261 Y CA -0.277 57.889 58.100 0.109 0.000 1.157 261 Y CB 0.875 39.382 38.460 0.079 0.000 1.157 261 Y HN 0.780 nan 8.280 nan 0.000 0.495 262 W N 7.887 128.884 121.300 -0.505 0.000 1.169 262 W HA 0.400 5.060 4.660 -0.000 0.000 0.318 262 W C 0.202 176.527 176.519 -0.324 0.000 0.906 262 W CA -0.556 56.549 57.345 -0.399 0.000 1.379 262 W CB 0.508 29.868 29.460 -0.165 0.000 1.491 262 W HN 0.987 nan 8.180 nan 0.000 0.459 263 G N 2.631 111.219 108.800 -0.353 0.000 2.651 263 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.315 263 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.315 263 G C 1.086 175.957 174.900 -0.048 0.000 1.258 263 G CA 1.332 46.350 45.100 -0.137 0.000 1.002 263 G HN 0.607 nan 8.290 nan 0.000 0.551 264 E N 0.463 120.636 120.200 -0.044 0.000 2.482 264 E HA 0.164 4.514 4.350 -0.000 0.000 0.196 264 E C 1.960 178.538 176.600 -0.036 0.000 1.047 264 E CA 1.327 57.712 56.400 -0.025 0.000 0.869 264 E CB -0.046 29.635 29.700 -0.032 0.000 0.836 264 E HN 1.196 nan 8.360 nan 0.000 0.520 265 V N -1.615 118.256 119.914 -0.071 0.000 3.271 265 V HA 0.237 4.357 4.120 -0.000 0.000 0.327 265 V C 0.408 176.532 176.094 0.049 0.000 1.389 265 V CA -0.729 61.541 62.300 -0.050 0.000 1.156 265 V CB 0.007 31.737 31.823 -0.155 0.000 1.103 265 V HN 0.008 nan 8.190 nan 0.000 0.453 266 S N 2.393 118.133 115.700 0.066 0.000 2.580 266 S HA 0.196 4.666 4.470 -0.000 0.000 0.266 266 S C 0.374 175.029 174.600 0.091 0.000 1.354 266 S CA -0.151 58.116 58.200 0.112 0.000 1.008 266 S CB 0.024 63.305 63.200 0.134 0.000 0.898 266 S HN 0.694 nan 8.310 nan 0.000 0.555 267 N N 2.671 121.424 118.700 0.088 0.000 2.479 267 N HA 0.173 4.913 4.740 -0.000 0.000 0.257 267 N C -2.537 173.004 175.510 0.051 0.000 1.232 267 N CA -1.234 51.851 53.050 0.059 0.000 0.920 267 N CB -0.367 38.140 38.487 0.034 0.000 1.105 267 N HN 0.313 nan 8.380 nan 0.000 0.444 268 P HA -0.030 nan 4.420 nan 0.000 0.263 268 P C 0.949 178.268 177.300 0.032 0.000 1.175 268 P CA 0.686 63.807 63.100 0.035 0.000 0.761 268 P CB 0.253 31.969 31.700 0.027 0.000 0.794 269 G N 1.694 110.517 108.800 0.037 0.000 2.347 269 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.247 269 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.247 269 G C 1.010 175.935 174.900 0.041 0.000 1.037 269 G CA 0.294 45.413 45.100 0.032 0.000 0.622 269 G HN 0.400 nan 8.290 nan 0.000 0.521 270 V N 1.129 121.076 119.914 0.055 0.000 2.343 270 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 270 V C 2.673 178.854 176.094 0.145 0.000 1.051 270 V CA 3.000 65.344 62.300 0.074 0.000 1.036 270 V CB -0.505 31.368 31.823 0.084 0.000 0.654 270 V HN 0.645 nan 8.190 nan 0.000 0.451 271 Q N 0.015 119.939 119.800 0.206 0.000 2.045 271 Q HA -0.287 4.052 4.340 -0.000 0.000 0.206 271 Q C 2.413 178.502 176.000 0.148 0.000 0.991 271 Q CA 2.313 58.287 55.803 0.284 0.000 0.851 271 Q CB -0.229 28.644 28.738 0.224 0.000 0.911 271 Q HN 0.667 nan 8.270 nan 0.000 0.418 272 E N 0.104 120.357 120.200 0.088 0.000 2.085 272 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 272 E C 2.149 178.758 176.600 0.015 0.000 0.994 272 E CA 0.988 57.416 56.400 0.047 0.000 0.801 272 E CB -0.175 29.547 29.700 0.036 0.000 0.743 272 E HN 0.456 nan 8.360 nan 0.000 0.453 273 L N 0.453 121.680 121.223 0.007 0.000 1.997 273 L HA -0.238 4.101 4.340 -0.000 0.000 0.216 273 L C 2.776 179.608 176.870 -0.064 0.000 1.074 273 L CA 2.057 56.882 54.840 -0.025 0.000 0.763 273 L CB -0.523 41.517 42.059 -0.031 0.000 0.890 273 L HN 0.204 nan 8.230 nan 0.000 0.434 274 V N -2.785 117.057 119.914 -0.120 0.000 2.446 274 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 274 V C 2.096 178.086 176.094 -0.173 0.000 1.039 274 V CA 1.459 63.624 62.300 -0.224 0.000 1.045 274 V CB -0.230 31.287 31.823 -0.510 0.000 0.681 274 V HN 0.379 nan 8.190 nan 0.000 0.459 275 E N 0.171 120.302 120.200 -0.115 0.000 2.209 275 E HA -0.159 4.190 4.350 -0.000 0.000 0.196 275 E C 1.964 178.552 176.600 -0.021 0.000 0.993 275 E CA 1.731 58.113 56.400 -0.030 0.000 0.819 275 E CB -0.135 29.600 29.700 0.058 0.000 0.745 275 E HN 0.671 nan 8.360 nan 0.000 0.477 276 T N -1.089 113.451 114.554 -0.023 0.000 3.054 276 T HA 0.133 4.483 4.350 -0.000 0.000 0.255 276 T C 0.259 174.946 174.700 -0.021 0.000 1.035 276 T CA -0.010 62.081 62.100 -0.014 0.000 0.941 276 T CB 0.148 69.014 68.868 -0.003 0.000 1.026 276 T HN 0.021 nan 8.240 nan 0.000 0.533 277 S N 1.321 117.001 115.700 -0.034 0.000 2.552 277 S HA -0.012 4.457 4.470 -0.000 0.000 0.289 277 S C 1.261 175.849 174.600 -0.020 0.000 1.304 277 S CA -0.300 57.882 58.200 -0.030 0.000 1.063 277 S CB 0.507 63.681 63.200 -0.043 0.000 0.848 277 S HN 0.315 nan 8.310 nan 0.000 0.499 278 D N 2.983 123.375 120.400 -0.013 0.000 2.149 278 D HA 0.008 4.648 4.640 -0.000 0.000 0.198 278 D C 0.332 176.630 176.300 -0.003 0.000 0.990 278 D CA 1.482 55.478 54.000 -0.006 0.000 0.839 278 D CB 0.018 40.816 40.800 -0.003 0.000 0.948 278 D HN 0.671 nan 8.370 nan 0.000 0.460 279 A N 0.188 123.006 122.820 -0.003 0.000 2.768 279 A HA 0.386 4.705 4.320 -0.000 0.000 0.298 279 A C -1.301 176.286 177.584 0.006 0.000 1.159 279 A CA -0.619 51.422 52.037 0.007 0.000 0.783 279 A CB 0.332 19.340 19.000 0.014 0.000 1.333 279 A HN 0.094 nan 8.150 nan 0.000 0.412 280 L N 2.983 124.209 121.223 0.005 0.000 2.342 280 L HA 0.406 4.746 4.340 -0.000 0.000 0.285 280 L C -0.257 176.634 176.870 0.035 0.000 1.095 280 L CA -0.147 54.695 54.840 0.002 0.000 0.843 280 L CB 0.537 42.588 42.059 -0.013 0.000 1.201 280 L HN 0.648 nan 8.230 nan 0.000 0.445 281 L N 6.151 127.394 121.223 0.033 0.000 2.385 281 L HA 0.180 4.520 4.340 -0.000 0.000 0.285 281 L C -0.461 176.448 176.870 0.066 0.000 1.125 281 L CA -0.198 54.680 54.840 0.063 0.000 0.890 281 L CB 0.266 42.358 42.059 0.054 0.000 1.251 281 L HN 0.755 nan 8.230 nan 0.000 0.445 282 C N 6.822 126.181 119.300 0.099 0.000 2.223 282 C HA 0.487 4.947 4.460 -0.000 0.000 0.324 282 C C 0.180 175.233 174.990 0.104 0.000 1.196 282 C CA -0.761 58.330 59.018 0.121 0.000 1.628 282 C CB -0.882 26.983 27.740 0.208 0.000 2.229 282 C HN 0.628 nan 8.230 nan 0.000 0.486 283 I N 6.328 126.939 120.570 0.069 0.000 2.355 283 I HA 0.438 4.608 4.170 -0.000 0.000 0.288 283 I C 1.011 177.144 176.117 0.027 0.000 0.999 283 I CA -0.028 61.310 61.300 0.064 0.000 1.163 283 I CB 1.298 39.343 38.000 0.076 0.000 1.316 283 I HN 0.863 nan 8.210 nan 0.000 0.454 284 A N 5.776 128.604 122.820 0.012 0.000 2.791 284 A HA -0.116 4.203 4.320 -0.000 0.000 0.292 284 A C -2.394 175.141 177.584 -0.081 0.000 1.487 284 A CA -0.208 51.817 52.037 -0.020 0.000 0.760 284 A CB -1.992 17.007 19.000 -0.002 0.000 1.031 284 A HN 0.487 nan 8.150 nan 0.000 0.503 285 P HA 0.482 nan 4.420 nan 0.000 0.276 285 P C -0.338 176.715 177.300 -0.412 0.000 1.244 285 P CA -0.172 62.682 63.100 -0.409 0.000 0.801 285 P CB 1.529 32.759 31.700 -0.783 0.000 1.006 286 V N 2.981 122.623 119.914 -0.453 0.000 2.325 286 V HA 0.246 4.366 4.120 -0.000 0.000 0.280 286 V C -0.384 175.507 176.094 -0.338 0.000 1.016 286 V CA -0.321 61.799 62.300 -0.300 0.000 0.818 286 V CB 0.077 31.802 31.823 -0.162 0.000 1.019 286 V HN 0.303 nan 8.190 nan 0.000 0.434 287 F N 5.353 125.282 119.950 -0.036 0.000 2.368 287 F HA 0.482 5.008 4.527 -0.000 0.000 0.362 287 F C 0.681 176.367 175.800 -0.190 0.000 1.137 287 F CA -0.747 57.154 58.000 -0.165 0.000 1.161 287 F CB 0.418 39.233 39.000 -0.307 0.000 1.265 287 F HN 0.692 nan 8.300 nan 0.000 0.530 288 N N 0.156 118.830 118.700 -0.044 0.000 3.002 288 N HA 0.246 4.986 4.740 -0.000 0.000 0.331 288 N C 0.482 175.640 175.510 -0.587 0.000 1.384 288 N CA -0.737 52.231 53.050 -0.136 0.000 0.780 288 N CB 0.317 38.761 38.487 -0.072 0.000 1.492 288 N HN 0.231 nan 8.380 nan 0.000 0.608 289 D N -1.535 118.438 120.400 -0.711 0.000 2.264 289 D HA -0.180 4.460 4.640 -0.000 0.000 0.208 289 D C 0.861 176.999 176.300 -0.270 0.000 0.966 289 D CA 1.312 54.710 54.000 -1.003 0.000 0.864 289 D CB -0.325 40.140 40.800 -0.557 0.000 0.933 289 D HN 0.430 nan 8.370 nan 0.000 0.499 290 Y N 1.849 122.070 120.300 -0.132 0.000 2.231 290 Y HA -0.047 4.503 4.550 -0.000 0.000 0.294 290 Y C 3.011 179.165 175.900 0.422 0.000 1.120 290 Y CA 0.721 58.982 58.100 0.269 0.000 1.141 290 Y CB -0.872 37.803 38.460 0.358 0.000 1.022 290 Y HN 0.120 nan 8.280 nan 0.000 0.523 291 S N -0.963 114.912 115.700 0.292 0.000 2.402 291 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 291 S C 1.752 176.520 174.600 0.281 0.000 1.021 291 S CA 1.435 59.741 58.200 0.176 0.000 0.974 291 S CB -1.170 61.992 63.200 -0.062 0.000 0.800 291 S HN 0.508 nan 8.310 nan 0.000 0.484 292 T N -0.776 113.844 114.554 0.110 0.000 3.129 292 T HA 0.323 4.672 4.350 -0.000 0.000 0.251 292 T C 0.493 175.219 174.700 0.044 0.000 1.117 292 T CA 0.126 62.280 62.100 0.090 0.000 1.034 292 T CB -0.740 68.096 68.868 -0.054 0.000 0.968 292 T HN 0.618 nan 8.240 nan 0.000 0.526 293 V N 1.139 121.098 119.914 0.075 0.000 6.029 293 V HA -0.093 4.026 4.120 -0.000 0.000 0.242 293 V C 1.402 177.374 176.094 -0.204 0.000 0.637 293 V CA 0.524 62.783 62.300 -0.068 0.000 0.603 293 V CB -2.757 29.031 31.823 -0.058 0.000 0.423 293 V HN 1.239 nan 8.190 nan 0.000 0.520 294 G N 1.481 110.060 108.800 -0.369 0.000 2.305 294 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.287 294 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.287 294 G C 0.283 175.058 174.900 -0.208 0.000 1.036 294 G CA 0.785 45.645 45.100 -0.400 0.000 0.887 294 G HN 2.145 nan 8.290 nan 0.000 0.505 295 W N -2.600 118.741 121.300 0.070 0.000 2.869 295 W HA -0.329 4.331 4.660 -0.000 0.000 0.285 295 W C 1.847 178.472 176.519 0.177 0.000 1.098 295 W CA 1.038 58.468 57.345 0.142 0.000 0.571 295 W CB -2.115 27.438 29.460 0.155 0.000 2.131 295 W HN 1.117 nan 8.180 nan 0.000 1.367 296 S N -0.825 115.013 115.700 0.230 0.000 2.486 296 S HA 0.517 4.987 4.470 -0.000 0.000 0.220 296 S C 0.928 175.647 174.600 0.198 0.000 1.011 296 S CA 0.352 58.661 58.200 0.182 0.000 0.921 296 S CB 0.551 63.804 63.200 0.089 0.000 0.785 296 S HN 0.706 nan 8.310 nan 0.000 0.517 297 A N 0.950 123.906 122.820 0.228 0.000 2.978 297 A HA 0.555 4.875 4.320 -0.000 0.000 0.341 297 A C -1.198 176.621 177.584 0.392 0.000 1.105 297 A CA -0.455 51.747 52.037 0.275 0.000 0.819 297 A CB -0.193 18.891 19.000 0.139 0.000 1.080 297 A HN 0.515 nan 8.150 nan 0.000 0.476 298 W N 4.269 125.626 121.300 0.094 0.000 2.533 298 W HA 0.540 5.200 4.660 -0.000 0.000 0.291 298 W C -3.152 173.250 176.519 -0.196 0.000 1.013 298 W CA -3.059 54.212 57.345 -0.122 0.000 1.436 298 W CB 1.145 30.585 29.460 -0.033 0.000 1.291 298 W HN 0.330 nan 8.180 nan 0.000 0.396 299 P HA 0.317 nan 4.420 nan 0.000 0.276 299 P C -0.808 176.350 177.300 -0.236 0.000 1.243 299 P CA 0.324 63.370 63.100 -0.089 0.000 0.768 299 P CB 0.969 32.672 31.700 0.006 0.000 0.856 300 K N 1.045 121.288 120.400 -0.262 0.000 2.571 300 K HA 0.801 5.120 4.320 -0.000 0.000 0.289 300 K C -0.323 176.172 176.600 -0.175 0.000 1.028 300 K CA -0.941 55.188 56.287 -0.264 0.000 0.895 300 K CB 0.983 33.179 32.500 -0.508 0.000 1.534 300 K HN 0.593 nan 8.250 nan 0.000 0.421 301 G N -0.082 108.637 108.800 -0.136 0.000 2.526 301 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.250 301 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.250 301 G C -2.080 172.791 174.900 -0.048 0.000 1.289 301 G CA -0.360 44.684 45.100 -0.095 0.000 0.947 301 G HN 0.486 nan 8.290 nan 0.000 0.517 302 P HA -0.072 nan 4.420 nan 0.000 0.218 302 P C 1.175 178.474 177.300 -0.001 0.000 1.148 302 P CA 1.455 64.547 63.100 -0.013 0.000 0.822 302 P CB -0.109 31.583 31.700 -0.014 0.000 0.784 303 N N -0.402 118.293 118.700 -0.009 0.000 2.521 303 N HA 0.029 4.768 4.740 -0.000 0.000 0.188 303 N C 0.112 175.627 175.510 0.008 0.000 1.146 303 N CA 0.314 53.363 53.050 -0.002 0.000 0.893 303 N CB 0.175 38.655 38.487 -0.011 0.000 0.975 303 N HN 0.107 nan 8.380 nan 0.000 0.451 304 V N 1.831 121.752 119.914 0.012 0.000 2.398 304 V HA 0.357 4.477 4.120 -0.000 0.000 0.286 304 V C 0.234 176.363 176.094 0.059 0.000 1.026 304 V CA -0.716 61.604 62.300 0.033 0.000 0.868 304 V CB 1.885 33.725 31.823 0.028 0.000 0.982 304 V HN -0.050 nan 8.190 nan 0.000 0.443 305 I N 5.917 126.533 120.570 0.078 0.000 2.287 305 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 305 I C -0.343 175.839 176.117 0.108 0.000 1.069 305 I CA -0.321 61.038 61.300 0.099 0.000 1.237 305 I CB 1.039 39.113 38.000 0.122 0.000 1.418 305 I HN 0.379 nan 8.210 nan 0.000 0.481 306 L N 7.550 128.832 121.223 0.100 0.000 2.295 306 L HA 0.554 4.893 4.340 -0.000 0.000 0.288 306 L C 0.252 177.153 176.870 0.051 0.000 1.079 306 L CA -0.060 54.847 54.840 0.111 0.000 0.830 306 L CB 0.509 42.646 42.059 0.131 0.000 1.200 306 L HN 0.636 nan 8.230 nan 0.000 0.438 307 A N 5.619 128.469 122.820 0.049 0.000 2.316 307 A HA 0.619 4.938 4.320 -0.000 0.000 0.324 307 A C -0.090 177.493 177.584 -0.002 0.000 1.375 307 A CA -0.604 51.422 52.037 -0.019 0.000 0.882 307 A CB 0.123 19.160 19.000 0.062 0.000 1.152 307 A HN 0.764 nan 8.150 nan 0.000 0.512 308 E N 2.620 122.796 120.200 -0.041 0.000 2.254 308 E HA 0.290 4.639 4.350 -0.000 0.000 0.258 308 E C -1.796 174.775 176.600 -0.048 0.000 1.033 308 E CA -2.001 54.379 56.400 -0.032 0.000 0.893 308 E CB 0.781 30.464 29.700 -0.029 0.000 1.204 308 E HN 0.288 nan 8.360 nan 0.000 0.425 309 P HA -0.132 nan 4.420 nan 0.000 0.226 309 P C 0.133 177.391 177.300 -0.069 0.000 1.146 309 P CA 1.402 64.478 63.100 -0.040 0.000 0.773 309 P CB 0.264 31.935 31.700 -0.048 0.000 0.772 310 D N -2.365 117.957 120.400 -0.131 0.000 2.449 310 D HA 0.100 4.739 4.640 -0.000 0.000 0.255 310 D C 0.487 176.557 176.300 -0.384 0.000 1.121 310 D CA 0.175 54.054 54.000 -0.202 0.000 0.830 310 D CB 0.975 41.691 40.800 -0.140 0.000 1.280 310 D HN 0.119 nan 8.370 nan 0.000 0.522 311 R N -1.211 119.073 120.500 -0.360 0.000 2.690 311 R HA 0.610 4.949 4.340 -0.000 0.000 0.269 311 R C -2.035 174.107 176.300 -0.263 0.000 1.037 311 R CA -0.789 55.071 56.100 -0.400 0.000 0.877 311 R CB 1.025 31.188 30.300 -0.228 0.000 1.255 311 R HN -0.205 nan 8.270 nan 0.000 0.467 312 V N 1.147 120.961 119.914 -0.167 0.000 2.638 312 V HA 0.498 4.618 4.120 -0.000 0.000 0.306 312 V C -0.744 175.401 176.094 0.084 0.000 1.052 312 V CA -0.607 61.627 62.300 -0.109 0.000 0.885 312 V CB 2.347 33.957 31.823 -0.355 0.000 0.999 312 V HN 0.888 nan 8.190 nan 0.000 0.424 313 T N 4.031 118.625 114.554 0.066 0.000 2.791 313 T HA 0.653 5.003 4.350 -0.000 0.000 0.288 313 T C -0.803 173.972 174.700 0.125 0.000 0.999 313 T CA -0.484 61.676 62.100 0.101 0.000 0.952 313 T CB 1.499 70.396 68.868 0.050 0.000 0.938 313 T HN 0.584 nan 8.240 nan 0.000 0.444 314 V N 3.343 123.371 119.914 0.189 0.000 2.711 314 V HA 0.492 4.611 4.120 -0.000 0.000 0.304 314 V C -0.835 175.359 176.094 0.166 0.000 1.097 314 V CA -0.554 61.846 62.300 0.168 0.000 0.906 314 V CB 1.717 33.644 31.823 0.174 0.000 1.015 314 V HN 0.934 nan 8.190 nan 0.000 0.427 315 D N 4.738 125.197 120.400 0.099 0.000 2.772 315 D HA -0.105 4.535 4.640 -0.000 0.000 0.233 315 D C 0.973 177.309 176.300 0.060 0.000 1.143 315 D CA 2.207 56.253 54.000 0.076 0.000 0.700 315 D CB -1.194 39.660 40.800 0.090 0.000 1.076 315 D HN 2.256 nan 8.370 nan 0.000 0.430 316 G N -0.467 108.355 108.800 0.037 0.000 2.136 316 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.242 316 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.242 316 G C 0.303 175.188 174.900 -0.024 0.000 0.989 316 G CA 0.410 45.513 45.100 0.004 0.000 0.682 316 G HN 0.630 nan 8.290 nan 0.000 0.522 317 R N -0.484 120.000 120.500 -0.027 0.000 2.673 317 R HA 0.705 5.045 4.340 -0.000 0.000 0.281 317 R C -0.309 175.842 176.300 -0.248 0.000 0.991 317 R CA -0.118 55.868 56.100 -0.190 0.000 0.896 317 R CB 1.982 32.097 30.300 -0.308 0.000 1.201 317 R HN 0.585 nan 8.270 nan 0.000 0.457 318 A N 2.703 125.322 122.820 -0.335 0.000 2.304 318 A HA 0.620 4.940 4.320 -0.000 0.000 0.323 318 A C -1.430 175.930 177.584 -0.372 0.000 1.195 318 A CA -0.414 51.488 52.037 -0.225 0.000 0.826 318 A CB 0.481 19.407 19.000 -0.123 0.000 1.184 318 A HN 0.625 nan 8.150 nan 0.000 0.496 319 Y N 2.104 122.400 120.300 -0.005 0.000 2.328 319 Y HA 0.476 5.026 4.550 -0.000 0.000 0.336 319 Y C 0.168 175.990 175.900 -0.130 0.000 0.960 319 Y CA -0.880 57.249 58.100 0.047 0.000 1.134 319 Y CB 1.745 40.335 38.460 0.216 0.000 1.166 319 Y HN 0.810 nan 8.280 nan 0.000 0.464 320 D N 0.555 120.926 120.400 -0.047 0.000 2.497 320 D HA 0.549 5.188 4.640 -0.000 0.000 0.243 320 D C 0.675 176.810 176.300 -0.275 0.000 1.039 320 D CA -0.553 53.269 54.000 -0.297 0.000 1.052 320 D CB 2.020 42.714 40.800 -0.177 0.000 1.344 320 D HN 0.725 nan 8.370 nan 0.000 0.553 321 G N -0.278 108.325 108.800 -0.328 0.000 2.130 321 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.216 321 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.216 321 G C -0.285 174.603 174.900 -0.019 0.000 0.999 321 G CA 0.287 45.316 45.100 -0.119 0.000 0.686 321 G HN 0.795 nan 8.290 nan 0.000 0.515 322 F N -1.210 118.726 119.950 -0.023 0.000 2.686 322 F HA 0.824 5.350 4.527 -0.000 0.000 0.311 322 F C 0.113 175.903 175.800 -0.015 0.000 1.128 322 F CA -1.037 56.945 58.000 -0.030 0.000 0.946 322 F CB 0.493 39.477 39.000 -0.026 0.000 1.336 322 F HN 0.405 nan 8.300 nan 0.000 0.457 323 T N -0.160 114.546 114.554 0.253 0.000 2.904 323 T HA 0.301 4.651 4.350 -0.000 0.000 0.290 323 T C 0.773 175.646 174.700 0.289 0.000 1.018 323 T CA -0.491 61.705 62.100 0.160 0.000 1.075 323 T CB 1.471 70.398 68.868 0.099 0.000 0.986 323 T HN 0.915 nan 8.240 nan 0.000 0.523 324 L N 1.015 122.344 121.223 0.177 0.000 2.046 324 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 324 L C 2.805 179.820 176.870 0.241 0.000 1.077 324 L CA 1.633 56.609 54.840 0.227 0.000 0.747 324 L CB -0.757 41.372 42.059 0.117 0.000 0.896 324 L HN 0.793 nan 8.230 nan 0.000 0.432 325 R N -0.248 120.336 120.500 0.140 0.000 2.083 325 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 325 R C 2.063 178.419 176.300 0.093 0.000 1.137 325 R CA 1.639 57.795 56.100 0.092 0.000 0.951 325 R CB -0.528 29.800 30.300 0.047 0.000 0.851 325 R HN 0.534 nan 8.270 nan 0.000 0.434 326 A N 0.216 123.106 122.820 0.117 0.000 1.930 326 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 326 A C 1.988 179.597 177.584 0.043 0.000 1.175 326 A CA 1.156 53.235 52.037 0.070 0.000 0.627 326 A CB -0.709 18.333 19.000 0.070 0.000 0.815 326 A HN 0.490 nan 8.150 nan 0.000 0.443 327 F N 0.677 120.608 119.950 -0.032 0.000 2.102 327 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 327 F C 1.864 177.627 175.800 -0.061 0.000 1.105 327 F CA 1.723 59.655 58.000 -0.114 0.000 1.239 327 F CB -0.311 38.715 39.000 0.043 0.000 0.991 327 F HN 0.133 nan 8.300 nan 0.000 0.474 328 L N -0.220 120.980 121.223 -0.038 0.000 2.093 328 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 328 L C 2.532 179.311 176.870 -0.152 0.000 1.085 328 L CA 1.406 56.166 54.840 -0.134 0.000 0.755 328 L CB -0.856 41.225 42.059 0.036 0.000 0.904 328 L HN 0.229 nan 8.230 nan 0.000 0.435 329 Q N -0.244 119.502 119.800 -0.090 0.000 2.020 329 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 329 Q C 2.438 178.364 176.000 -0.124 0.000 0.982 329 Q CA 1.961 57.717 55.803 -0.079 0.000 0.838 329 Q CB -0.255 28.459 28.738 -0.040 0.000 0.899 329 Q HN 0.546 nan 8.270 nan 0.000 0.423 330 A N 0.298 123.018 122.820 -0.167 0.000 1.933 330 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 330 A C 1.981 179.416 177.584 -0.247 0.000 1.175 330 A CA 1.171 53.096 52.037 -0.187 0.000 0.628 330 A CB -0.612 18.269 19.000 -0.199 0.000 0.814 330 A HN 0.387 nan 8.150 nan 0.000 0.444 331 L N -0.312 120.676 121.223 -0.392 0.000 2.093 331 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 331 L C 2.621 179.358 176.870 -0.222 0.000 1.085 331 L CA 1.985 56.587 54.840 -0.397 0.000 0.755 331 L CB -0.666 41.002 42.059 -0.652 0.000 0.904 331 L HN 0.328 nan 8.230 nan 0.000 0.435 332 A N -0.803 121.913 122.820 -0.174 0.000 2.019 332 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 332 A C 2.076 179.615 177.584 -0.076 0.000 1.164 332 A CA 1.561 53.540 52.037 -0.097 0.000 0.644 332 A CB -0.484 18.477 19.000 -0.065 0.000 0.805 332 A HN 0.589 nan 8.150 nan 0.000 0.449 333 E N 0.054 120.203 120.200 -0.087 0.000 2.106 333 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 333 E C 1.302 177.864 176.600 -0.063 0.000 0.984 333 E CA 0.983 57.344 56.400 -0.065 0.000 0.806 333 E CB -0.158 29.503 29.700 -0.066 0.000 0.750 333 E HN 0.487 nan 8.360 nan 0.000 0.458 334 K N 0.116 120.467 120.400 -0.082 0.000 2.367 334 K HA 0.245 4.565 4.320 -0.000 0.000 0.195 334 K C 0.753 177.315 176.600 -0.064 0.000 1.060 334 K CA 0.073 56.318 56.287 -0.071 0.000 1.022 334 K CB 0.639 33.088 32.500 -0.084 0.000 0.894 334 K HN -0.036 nan 8.250 nan 0.000 0.540 335 A N 4.483 127.260 122.820 -0.072 0.000 2.498 335 A HA 0.193 4.513 4.320 -0.000 0.000 0.239 335 A C -2.058 175.506 177.584 -0.033 0.000 1.068 335 A CA -0.661 51.342 52.037 -0.056 0.000 0.766 335 A CB -0.339 18.625 19.000 -0.061 0.000 1.003 335 A HN -0.013 nan 8.150 nan 0.000 0.497 336 P HA 0.428 nan 4.420 nan 0.000 0.278 336 P C -0.605 176.691 177.300 -0.006 0.000 1.266 336 P CA -0.334 62.758 63.100 -0.013 0.000 0.807 336 P CB 1.005 32.699 31.700 -0.010 0.000 1.094 337 A N 1.663 124.482 122.820 -0.000 0.000 2.309 337 A HA 0.471 4.791 4.320 -0.000 0.000 0.290 337 A C 0.101 177.689 177.584 0.007 0.000 1.206 337 A CA -0.231 51.810 52.037 0.007 0.000 0.850 337 A CB -0.415 18.591 19.000 0.009 0.000 1.118 337 A HN 0.370 nan 8.150 nan 0.000 0.523 338 R N 3.211 123.718 120.500 0.011 0.000 2.629 338 R HA 0.358 4.697 4.340 -0.000 0.000 0.275 338 R C -2.434 173.874 176.300 0.013 0.000 1.719 338 R CA -1.486 54.620 56.100 0.009 0.000 1.472 338 R CB 1.302 31.605 30.300 0.005 0.000 1.237 338 R HN 0.492 nan 8.270 nan 0.000 0.589 339 P HA 0.072 nan 4.420 nan 0.000 0.251 339 P C 0.858 178.167 177.300 0.016 0.000 1.223 339 P CA 0.283 63.396 63.100 0.021 0.000 0.796 339 P CB 0.550 32.263 31.700 0.022 0.000 1.068 340 A N 1.180 124.006 122.820 0.010 0.000 1.915 340 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 340 A C 2.327 179.914 177.584 0.005 0.000 1.198 340 A CA 2.840 54.881 52.037 0.007 0.000 0.647 340 A CB -1.727 17.275 19.000 0.004 0.000 0.825 340 A HN 0.315 nan 8.150 nan 0.000 0.456 341 S N 0.275 115.976 115.700 0.001 0.000 2.368 341 S HA -0.024 4.446 4.470 -0.000 0.000 0.225 341 S C 2.188 176.787 174.600 -0.002 0.000 1.030 341 S CA 1.350 59.546 58.200 -0.006 0.000 0.999 341 S CB -0.628 62.562 63.200 -0.016 0.000 0.844 341 S HN 0.903 nan 8.310 nan 0.000 0.459 342 A N 2.438 125.264 122.820 0.010 0.000 1.897 342 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 342 A C 2.280 179.877 177.584 0.022 0.000 1.181 342 A CA 1.237 53.288 52.037 0.022 0.000 0.620 342 A CB -0.647 18.381 19.000 0.046 0.000 0.821 342 A HN 0.703 nan 8.150 nan 0.000 0.443 343 Q N -1.311 118.500 119.800 0.019 0.000 2.435 343 Q HA 0.036 4.376 4.340 -0.000 0.000 0.207 343 Q C 0.713 176.720 176.000 0.012 0.000 0.956 343 Q CA 1.108 56.922 55.803 0.017 0.000 0.917 343 Q CB -0.152 28.596 28.738 0.016 0.000 0.997 343 Q HN 0.321 nan 8.270 nan 0.000 0.497 344 K N 1.200 121.605 120.400 0.009 0.000 2.410 344 K HA 0.139 4.459 4.320 -0.000 0.000 0.200 344 K C -0.535 176.067 176.600 0.005 0.000 1.023 344 K CA 0.050 56.340 56.287 0.006 0.000 1.149 344 K CB 1.086 33.588 32.500 0.003 0.000 0.859 344 K HN 0.362 nan 8.250 nan 0.000 0.514 345 S N -2.385 113.318 115.700 0.005 0.000 2.570 345 S HA 0.566 5.036 4.470 -0.000 0.000 0.270 345 S C -0.563 174.040 174.600 0.006 0.000 1.149 345 S CA -1.012 57.189 58.200 0.002 0.000 0.837 345 S CB 1.763 64.957 63.200 -0.010 0.000 1.124 345 S HN -0.115 nan 8.310 nan 0.000 0.465 346 S N 0.831 116.534 115.700 0.006 0.000 2.617 346 S HA 0.548 5.018 4.470 -0.000 0.000 0.283 346 S C 0.109 174.716 174.600 0.012 0.000 1.189 346 S CA -0.654 57.554 58.200 0.014 0.000 1.036 346 S CB 1.500 64.710 63.200 0.017 0.000 1.014 346 S HN 1.036 nan 8.310 nan 0.000 0.522 347 V N 4.973 124.908 119.914 0.035 0.000 2.599 347 V HA 0.186 4.306 4.120 -0.000 0.000 0.300 347 V C -2.033 174.089 176.094 0.048 0.000 1.034 347 V CA -1.506 60.829 62.300 0.057 0.000 1.115 347 V CB 0.238 32.119 31.823 0.097 0.000 0.934 347 V HN 0.695 nan 8.190 nan 0.000 0.485 348 P HA 0.204 nan 4.420 nan 0.000 0.271 348 P C -0.517 176.832 177.300 0.080 0.000 1.216 348 P CA 0.188 63.309 63.100 0.035 0.000 0.771 348 P CB 1.018 32.716 31.700 -0.002 0.000 0.864 349 T N 1.597 116.188 114.554 0.061 0.000 2.916 349 T HA 0.485 4.835 4.350 -0.000 0.000 0.292 349 T C -1.411 173.324 174.700 0.057 0.000 1.055 349 T CA -0.517 61.620 62.100 0.061 0.000 1.009 349 T CB 0.951 69.847 68.868 0.047 0.000 1.118 349 T HN 0.547 nan 8.240 nan 0.000 0.497 350 C N 2.939 122.271 119.300 0.054 0.000 2.432 350 C HA 0.712 5.171 4.460 -0.000 0.000 0.334 350 C C 0.172 175.185 174.990 0.038 0.000 1.155 350 C CA -0.549 58.498 59.018 0.049 0.000 1.335 350 C CB 0.162 27.938 27.740 0.059 0.000 1.964 350 C HN 0.897 nan 8.230 nan 0.000 0.444 351 S N 5.114 120.834 115.700 0.033 0.000 2.481 351 S HA 0.578 5.048 4.470 -0.000 0.000 0.276 351 S C -0.555 174.060 174.600 0.024 0.000 1.247 351 S CA -0.062 58.154 58.200 0.026 0.000 1.053 351 S CB -0.065 63.148 63.200 0.022 0.000 0.925 351 S HN 0.669 nan 8.310 nan 0.000 0.491 352 L N 4.161 125.397 121.223 0.022 0.000 2.343 352 L HA 0.356 4.696 4.340 -0.000 0.000 0.278 352 L C 0.522 177.405 176.870 0.020 0.000 0.996 352 L CA -0.641 54.212 54.840 0.022 0.000 0.831 352 L CB 1.938 44.011 42.059 0.023 0.000 1.232 352 L HN 0.489 nan 8.230 nan 0.000 0.413 353 T N 2.731 117.296 114.554 0.019 0.000 2.834 353 T HA 0.492 4.842 4.350 -0.000 0.000 0.298 353 T C 0.177 174.891 174.700 0.023 0.000 0.966 353 T CA -0.362 61.749 62.100 0.018 0.000 1.141 353 T CB 0.522 69.398 68.868 0.013 0.000 0.905 353 T HN 0.641 nan 8.240 nan 0.000 0.535 354 A N 4.480 127.313 122.820 0.023 0.000 2.306 354 A HA 0.667 4.987 4.320 -0.000 0.000 0.314 354 A C 0.572 178.173 177.584 0.028 0.000 1.164 354 A CA -0.588 51.466 52.037 0.029 0.000 0.822 354 A CB 1.312 20.326 19.000 0.024 0.000 1.130 354 A HN 0.874 nan 8.150 nan 0.000 0.496 355 T N -0.185 114.391 114.554 0.036 0.000 2.804 355 T HA 0.647 4.997 4.350 -0.000 0.000 0.272 355 T C 0.555 175.275 174.700 0.033 0.000 0.986 355 T CA 0.213 62.331 62.100 0.030 0.000 0.999 355 T CB 0.923 69.807 68.868 0.027 0.000 1.307 355 T HN 1.340 nan 8.240 nan 0.000 0.586 356 S N 0.394 116.110 115.700 0.027 0.000 2.672 356 S HA 0.325 4.795 4.470 -0.000 0.000 0.276 356 S C 0.747 175.367 174.600 0.034 0.000 1.207 356 S CA -0.411 57.806 58.200 0.028 0.000 1.002 356 S CB 0.841 64.053 63.200 0.021 0.000 0.998 356 S HN 0.673 nan 8.310 nan 0.000 0.542 357 D N 0.694 121.115 120.400 0.036 0.000 2.133 357 D HA -0.101 4.539 4.640 -0.000 0.000 0.195 357 D C 1.440 177.757 176.300 0.029 0.000 0.997 357 D CA 1.512 55.536 54.000 0.040 0.000 0.840 357 D CB 0.016 40.837 40.800 0.036 0.000 0.947 357 D HN 0.695 nan 8.370 nan 0.000 0.452 358 E N -0.260 119.953 120.200 0.022 0.000 2.481 358 E HA 0.231 4.580 4.350 -0.000 0.000 0.198 358 E C 0.536 177.143 176.600 0.012 0.000 1.027 358 E CA -0.120 56.289 56.400 0.016 0.000 0.900 358 E CB 0.463 30.172 29.700 0.014 0.000 0.993 358 E HN 0.110 nan 8.360 nan 0.000 0.482 359 A N 1.315 124.143 122.820 0.013 0.000 2.406 359 A HA 0.410 4.730 4.320 -0.000 0.000 0.243 359 A C 0.909 178.496 177.584 0.005 0.000 1.082 359 A CA 0.384 52.426 52.037 0.009 0.000 0.786 359 A CB 0.107 19.114 19.000 0.011 0.000 1.029 359 A HN 0.119 nan 8.150 nan 0.000 0.495 360 G N -0.153 108.649 108.800 0.003 0.000 2.414 360 G HA2 0.388 4.348 3.960 -0.000 0.000 0.236 360 G HA3 0.388 4.348 3.960 -0.000 0.000 0.236 360 G C 0.045 174.943 174.900 -0.004 0.000 1.293 360 G CA -0.318 44.782 45.100 0.000 0.000 0.869 360 G HN 0.847 nan 8.290 nan 0.000 0.556 361 L N 1.611 122.827 121.223 -0.011 0.000 2.485 361 L HA 0.362 4.702 4.340 -0.000 0.000 0.275 361 L C 0.750 177.611 176.870 -0.016 0.000 1.207 361 L CA 0.793 55.619 54.840 -0.023 0.000 0.855 361 L CB 0.805 42.843 42.059 -0.034 0.000 1.114 361 L HN 0.478 nan 8.230 nan 0.000 0.485 362 T N 3.963 118.507 114.554 -0.017 0.000 2.893 362 T HA 0.206 4.555 4.350 -0.000 0.000 0.291 362 T C 0.839 175.532 174.700 -0.011 0.000 1.028 362 T CA -0.224 61.871 62.100 -0.008 0.000 0.995 362 T CB 1.624 70.493 68.868 0.001 0.000 1.051 362 T HN 0.724 nan 8.240 nan 0.000 0.470 363 N N 1.758 120.454 118.700 -0.007 0.000 2.037 363 N HA -0.175 4.565 4.740 -0.000 0.000 0.196 363 N C 1.223 176.732 175.510 -0.001 0.000 1.034 363 N CA 2.075 55.121 53.050 -0.006 0.000 0.861 363 N CB -0.039 38.447 38.487 -0.003 0.000 1.039 363 N HN 0.520 nan 8.380 nan 0.000 0.427 364 D N -0.421 119.984 120.400 0.007 0.000 2.144 364 D HA -0.131 4.508 4.640 -0.000 0.000 0.199 364 D C 1.702 178.020 176.300 0.030 0.000 0.984 364 D CA 0.841 54.852 54.000 0.017 0.000 0.834 364 D CB -0.287 40.524 40.800 0.019 0.000 0.955 364 D HN 0.405 nan 8.370 nan 0.000 0.465 365 E N 0.028 120.248 120.200 0.033 0.000 2.152 365 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 365 E C 2.033 178.681 176.600 0.078 0.000 0.983 365 E CA 0.424 56.870 56.400 0.076 0.000 0.818 365 E CB -0.137 29.591 29.700 0.047 0.000 0.758 365 E HN 0.300 nan 8.360 nan 0.000 0.467 366 I N -0.548 120.013 120.570 -0.016 0.000 2.179 366 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 366 I C 2.071 178.145 176.117 -0.072 0.000 1.088 366 I CA 0.727 61.982 61.300 -0.074 0.000 1.357 366 I CB -0.221 37.727 38.000 -0.087 0.000 1.051 366 I HN 0.027 nan 8.210 nan 0.000 0.409 367 V N 0.631 120.522 119.914 -0.038 0.000 2.343 367 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 367 V C 2.587 178.673 176.094 -0.014 0.000 1.051 367 V CA 1.839 64.115 62.300 -0.039 0.000 1.036 367 V CB -0.785 31.034 31.823 -0.006 0.000 0.654 367 V HN 0.362 nan 8.190 nan 0.000 0.451 368 R N -1.069 119.452 120.500 0.035 0.000 2.091 368 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 368 R C 2.352 178.651 176.300 -0.002 0.000 1.136 368 R CA 1.885 58.002 56.100 0.029 0.000 0.959 368 R CB -0.271 30.063 30.300 0.056 0.000 0.856 368 R HN 0.619 nan 8.270 nan 0.000 0.437 369 H N -0.402 118.631 119.070 -0.063 0.000 2.363 369 H HA -0.012 4.544 4.556 -0.000 0.000 0.301 369 H C 1.889 177.159 175.328 -0.097 0.000 1.074 369 H CA 1.723 57.738 56.048 -0.055 0.000 1.354 369 H CB -0.012 29.730 29.762 -0.033 0.000 1.397 369 H HN 0.145 nan 8.280 nan 0.000 0.516 370 I N 0.035 120.547 120.570 -0.096 0.000 2.252 370 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 370 I C 2.148 178.217 176.117 -0.080 0.000 1.102 370 I CA 1.222 62.400 61.300 -0.205 0.000 1.385 370 I CB -0.337 37.418 38.000 -0.408 0.000 1.064 370 I HN 0.337 nan 8.210 nan 0.000 0.414 371 N N 0.726 119.390 118.700 -0.059 0.000 2.104 371 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 371 N C 1.888 177.382 175.510 -0.027 0.000 1.024 371 N CA 1.205 54.234 53.050 -0.034 0.000 0.853 371 N CB -0.027 38.446 38.487 -0.024 0.000 1.008 371 N HN 0.344 nan 8.380 nan 0.000 0.424 372 A N 0.478 123.277 122.820 -0.035 0.000 2.067 372 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 372 A C 2.059 179.639 177.584 -0.006 0.000 1.158 372 A CA 0.662 52.679 52.037 -0.033 0.000 0.661 372 A CB -0.405 18.552 19.000 -0.070 0.000 0.801 372 A HN 0.339 nan 8.150 nan 0.000 0.452 373 L N -0.303 120.928 121.223 0.014 0.000 2.156 373 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 373 L C 0.312 177.199 176.870 0.028 0.000 1.095 373 L CA 0.202 55.069 54.840 0.045 0.000 0.770 373 L CB -0.264 41.854 42.059 0.098 0.000 0.914 373 L HN 0.318 nan 8.230 nan 0.000 0.439 374 L N 0.762 121.990 121.223 0.009 0.000 2.513 374 L HA 0.028 4.367 4.340 -0.000 0.000 0.272 374 L C 0.542 177.407 176.870 -0.009 0.000 1.187 374 L CA 0.087 54.926 54.840 -0.002 0.000 0.895 374 L CB 0.176 42.227 42.059 -0.013 0.000 1.147 374 L HN 0.226 nan 8.230 nan 0.000 0.483 375 T N -2.150 112.396 114.554 -0.013 0.000 2.910 375 T HA 0.254 4.603 4.350 -0.000 0.000 0.287 375 T C 0.993 175.674 174.700 -0.031 0.000 1.050 375 T CA -0.174 61.915 62.100 -0.019 0.000 1.011 375 T CB 1.609 70.469 68.868 -0.014 0.000 1.195 375 T HN 0.551 nan 8.240 nan 0.000 0.540 376 S N 0.048 115.728 115.700 -0.033 0.000 2.469 376 S HA -0.126 4.344 4.470 -0.000 0.000 0.238 376 S C 1.333 175.907 174.600 -0.044 0.000 0.998 376 S CA 1.240 59.416 58.200 -0.040 0.000 0.957 376 S CB -0.793 62.384 63.200 -0.039 0.000 0.764 376 S HN 0.764 nan 8.310 nan 0.000 0.514 377 N N 1.139 119.814 118.700 -0.042 0.000 2.268 377 N HA 0.162 4.902 4.740 -0.000 0.000 0.204 377 N C -0.731 174.732 175.510 -0.079 0.000 1.124 377 N CA 0.060 53.079 53.050 -0.052 0.000 0.838 377 N CB 0.221 38.687 38.487 -0.036 0.000 0.994 377 N HN 0.308 nan 8.380 nan 0.000 0.489 378 T N -0.376 114.133 114.554 -0.075 0.000 2.875 378 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 378 T C -0.339 174.282 174.700 -0.131 0.000 0.995 378 T CA -0.209 61.833 62.100 -0.097 0.000 1.060 378 T CB 1.548 70.389 68.868 -0.045 0.000 0.967 378 T HN -0.076 nan 8.240 nan 0.000 0.476 379 T N 3.642 118.068 114.554 -0.214 0.000 2.791 379 T HA 0.447 4.796 4.350 -0.000 0.000 0.288 379 T C -0.627 174.041 174.700 -0.053 0.000 0.999 379 T CA -0.568 61.433 62.100 -0.164 0.000 0.952 379 T CB 0.539 69.233 68.868 -0.290 0.000 0.938 379 T HN 0.355 nan 8.240 nan 0.000 0.444 380 L N 4.895 126.124 121.223 0.009 0.000 2.272 380 L HA 0.607 4.947 4.340 -0.000 0.000 0.289 380 L C -0.860 176.066 176.870 0.094 0.000 1.032 380 L CA -0.719 54.154 54.840 0.055 0.000 0.810 380 L CB 1.027 43.108 42.059 0.037 0.000 1.205 380 L HN 0.381 nan 8.230 nan 0.000 0.422 381 V N 4.615 124.600 119.914 0.119 0.000 2.370 381 V HA 0.542 4.661 4.120 -0.000 0.000 0.283 381 V C 0.299 176.507 176.094 0.191 0.000 1.023 381 V CA -0.541 61.847 62.300 0.146 0.000 0.857 381 V CB 1.326 33.165 31.823 0.026 0.000 0.985 381 V HN 0.846 nan 8.190 nan 0.000 0.443 382 A N 3.746 126.742 122.820 0.294 0.000 2.291 382 A HA 0.737 5.057 4.320 -0.000 0.000 0.311 382 A C -0.277 177.560 177.584 0.421 0.000 1.224 382 A CA -0.554 51.654 52.037 0.284 0.000 0.821 382 A CB 1.057 20.187 19.000 0.216 0.000 1.172 382 A HN 0.808 nan 8.150 nan 0.000 0.494 383 E N 1.609 121.985 120.200 0.294 0.000 2.392 383 E HA 0.361 4.710 4.350 -0.000 0.000 0.259 383 E C 0.116 176.666 176.600 -0.084 0.000 1.108 383 E CA 0.153 56.699 56.400 0.244 0.000 0.916 383 E CB 0.515 30.300 29.700 0.142 0.000 0.989 383 E HN 0.559 nan 8.360 nan 0.000 0.432 384 T N 2.416 116.793 114.554 -0.296 0.000 2.934 384 T HA 0.494 4.844 4.350 -0.000 0.000 0.306 384 T C 0.305 174.561 174.700 -0.741 0.000 1.042 384 T CA 0.706 62.163 62.100 -1.073 0.000 1.145 384 T CB 0.102 68.548 68.868 -0.703 0.000 0.982 384 T HN 0.752 nan 8.240 nan 0.000 0.544 385 G N 2.846 111.122 108.800 -0.873 0.000 2.298 385 G HA2 -0.084 3.875 3.960 -0.000 0.000 0.309 385 G HA3 -0.084 3.875 3.960 -0.000 0.000 0.309 385 G C 0.217 175.042 174.900 -0.125 0.000 1.279 385 G CA -0.098 44.791 45.100 -0.352 0.000 1.042 385 G HN 0.538 nan 8.290 nan 0.000 0.480 386 D N -0.071 120.344 120.400 0.024 0.000 2.309 386 D HA 0.017 4.657 4.640 -0.000 0.000 0.212 386 D C 2.447 178.860 176.300 0.189 0.000 0.968 386 D CA 1.809 55.912 54.000 0.173 0.000 0.882 386 D CB -0.078 40.763 40.800 0.069 0.000 0.918 386 D HN 0.288 nan 8.370 nan 0.000 0.503 387 S N -0.521 115.226 115.700 0.079 0.000 2.419 387 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 387 S C 1.477 176.179 174.600 0.169 0.000 1.016 387 S CA 0.365 58.624 58.200 0.098 0.000 0.974 387 S CB -0.258 62.984 63.200 0.070 0.000 0.786 387 S HN 0.449 nan 8.310 nan 0.000 0.492 388 W N 1.341 122.589 121.300 -0.085 0.000 2.321 388 W HA -0.043 4.617 4.660 -0.000 0.000 0.306 388 W C 1.744 178.067 176.519 -0.327 0.000 1.217 388 W CA 0.372 57.537 57.345 -0.301 0.000 1.257 388 W CB -1.294 27.805 29.460 -0.602 0.000 1.145 388 W HN 0.333 nan 8.180 nan 0.000 0.509 389 F N 0.615 120.680 119.950 0.192 0.000 2.234 389 F HA -0.116 4.411 4.527 -0.000 0.000 0.296 389 F C 2.130 177.972 175.800 0.070 0.000 1.089 389 F CA 1.635 59.698 58.000 0.105 0.000 1.343 389 F CB -1.054 37.960 39.000 0.023 0.000 1.040 389 F HN 0.001 nan 8.300 nan 0.000 0.498 390 N N 0.441 119.267 118.700 0.210 0.000 2.467 390 N HA 0.062 4.802 4.740 -0.000 0.000 0.184 390 N C 1.802 177.352 175.510 0.068 0.000 1.106 390 N CA 0.717 53.837 53.050 0.116 0.000 0.892 390 N CB -0.137 38.395 38.487 0.075 0.000 0.969 390 N HN 0.235 nan 8.380 nan 0.000 0.454 391 A N 2.007 124.865 122.820 0.063 0.000 1.902 391 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 391 A C 2.299 179.886 177.584 0.006 0.000 1.181 391 A CA 1.127 53.178 52.037 0.023 0.000 0.623 391 A CB -0.298 18.711 19.000 0.015 0.000 0.818 391 A HN 0.104 nan 8.150 nan 0.000 0.443 392 M N -0.388 119.220 119.600 0.014 0.000 2.279 392 M HA -0.065 4.414 4.480 -0.000 0.000 0.264 392 M C 1.772 178.116 176.300 0.074 0.000 1.062 392 M CA 1.202 56.522 55.300 0.034 0.000 1.099 392 M CB -1.197 31.459 32.600 0.093 0.000 1.394 392 M HN 0.366 nan 8.290 nan 0.000 0.426 393 R N -1.096 119.451 120.500 0.079 0.000 2.310 393 R HA 0.250 4.590 4.340 -0.000 0.000 0.202 393 R C 0.157 176.490 176.300 0.055 0.000 0.933 393 R CA -0.052 56.093 56.100 0.076 0.000 1.054 393 R CB 0.007 30.352 30.300 0.076 0.000 0.985 393 R HN 0.295 nan 8.270 nan 0.000 0.489 394 M N 0.319 119.943 119.600 0.041 0.000 2.318 394 M HA 0.157 4.637 4.480 -0.000 0.000 0.347 394 M C -0.279 176.042 176.300 0.035 0.000 1.175 394 M CA -0.021 55.294 55.300 0.025 0.000 1.075 394 M CB 2.092 34.694 32.600 0.003 0.000 1.614 394 M HN -0.140 nan 8.290 nan 0.000 0.456 395 T N 4.993 119.566 114.554 0.031 0.000 2.723 395 T HA 0.487 4.836 4.350 -0.000 0.000 0.297 395 T C -0.552 174.145 174.700 -0.005 0.000 0.925 395 T CA -0.715 61.403 62.100 0.031 0.000 1.030 395 T CB -0.425 68.467 68.868 0.040 0.000 0.905 395 T HN 0.442 nan 8.240 nan 0.000 0.502 396 L N 3.250 124.453 121.223 -0.033 0.000 2.295 396 L HA 0.695 5.035 4.340 -0.000 0.000 0.285 396 L C -2.463 174.367 176.870 -0.068 0.000 1.035 396 L CA -2.456 52.354 54.840 -0.050 0.000 0.806 396 L CB -0.113 41.910 42.059 -0.059 0.000 1.214 396 L HN 0.205 nan 8.230 nan 0.000 0.426 397 P HA 0.050 nan 4.420 nan 0.000 0.269 397 P C -0.511 176.745 177.300 -0.073 0.000 1.215 397 P CA -0.414 62.653 63.100 -0.055 0.000 0.780 397 P CB 0.559 32.235 31.700 -0.039 0.000 0.898 398 R N 0.960 121.413 120.500 -0.079 0.000 2.502 398 R HA 0.196 4.536 4.340 -0.000 0.000 0.292 398 R C 1.268 177.523 176.300 -0.074 0.000 0.998 398 R CA 1.481 57.526 56.100 -0.093 0.000 1.056 398 R CB -0.801 29.445 30.300 -0.089 0.000 0.939 398 R HN 0.862 nan 8.270 nan 0.000 0.411 399 G N 2.157 110.911 108.800 -0.076 0.000 2.279 399 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.223 399 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.223 399 G C 0.071 174.941 174.900 -0.051 0.000 1.015 399 G CA -0.051 45.013 45.100 -0.059 0.000 0.621 399 G HN 0.938 nan 8.290 nan 0.000 0.506 400 A N 0.310 123.098 122.820 -0.053 0.000 2.445 400 A HA 0.724 5.044 4.320 -0.000 0.000 0.242 400 A C 0.546 178.110 177.584 -0.032 0.000 1.075 400 A CA 0.734 52.742 52.037 -0.047 0.000 0.777 400 A CB 0.260 19.232 19.000 -0.047 0.000 1.013 400 A HN 0.589 nan 8.150 nan 0.000 0.493 401 R N 0.526 121.010 120.500 -0.027 0.000 2.562 401 R HA 0.597 4.937 4.340 -0.000 0.000 0.298 401 R C -1.301 175.004 176.300 0.009 0.000 0.961 401 R CA -0.346 55.758 56.100 0.007 0.000 0.881 401 R CB 2.104 32.410 30.300 0.009 0.000 1.159 401 R HN 0.492 nan 8.270 nan 0.000 0.450 402 V N 2.936 122.861 119.914 0.017 0.000 2.555 402 V HA 0.392 4.511 4.120 -0.000 0.000 0.302 402 V C -0.638 175.482 176.094 0.043 0.000 1.038 402 V CA -0.789 61.515 62.300 0.007 0.000 0.887 402 V CB 2.008 33.796 31.823 -0.058 0.000 0.991 402 V HN 0.652 nan 8.190 nan 0.000 0.434 403 E N 4.971 125.240 120.200 0.115 0.000 2.155 403 E HA 0.624 4.973 4.350 -0.000 0.000 0.264 403 E C -1.171 175.599 176.600 0.283 0.000 0.886 403 E CA -0.290 56.244 56.400 0.223 0.000 0.752 403 E CB 2.410 32.303 29.700 0.322 0.000 1.133 403 E HN 0.475 nan 8.360 nan 0.000 0.414 404 L N 1.122 122.391 121.223 0.077 0.000 2.341 404 L HA 0.415 4.755 4.340 -0.000 0.000 0.267 404 L C 0.533 177.193 176.870 -0.351 0.000 1.009 404 L CA -0.547 54.229 54.840 -0.107 0.000 0.819 404 L CB 2.128 44.005 42.059 -0.304 0.000 1.323 404 L HN 0.399 nan 8.230 nan 0.000 0.425 405 E N 2.134 121.998 120.200 -0.560 0.000 3.896 405 E HA 0.219 4.569 4.350 -0.000 0.000 0.217 405 E C 0.263 176.733 176.600 -0.217 0.000 1.150 405 E CA -0.073 55.941 56.400 -0.644 0.000 1.338 405 E CB 0.568 29.349 29.700 -1.532 0.000 1.242 405 E HN 0.672 nan 8.360 nan 0.000 0.435 406 M N 0.303 119.734 119.600 -0.282 0.000 2.558 406 M HA -0.042 4.438 4.480 -0.000 0.000 0.255 406 M C 1.836 178.084 176.300 -0.087 0.000 1.113 406 M CA 0.708 55.799 55.300 -0.348 0.000 1.097 406 M CB 0.179 32.294 32.600 -0.807 0.000 1.426 406 M HN 0.150 nan 8.290 nan 0.000 0.488 407 Q N 0.292 120.072 119.800 -0.034 0.000 2.134 407 Q HA -0.063 4.277 4.340 -0.000 0.000 0.195 407 Q C 1.820 177.935 176.000 0.192 0.000 0.958 407 Q CA 1.424 57.258 55.803 0.051 0.000 0.840 407 Q CB -0.227 28.540 28.738 0.048 0.000 0.918 407 Q HN 0.613 nan 8.270 nan 0.000 0.467 408 W N 0.459 121.745 121.300 -0.024 0.000 2.444 408 W HA 0.086 4.746 4.660 -0.000 0.000 0.308 408 W C 0.559 177.120 176.519 0.070 0.000 1.183 408 W CA 1.392 58.756 57.345 0.031 0.000 1.340 408 W CB 0.009 29.498 29.460 0.049 0.000 1.138 408 W HN 0.375 nan 8.180 nan 0.000 0.510 409 G N 1.224 110.132 108.800 0.181 0.000 2.272 409 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.280 409 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.280 409 G C -0.212 174.681 174.900 -0.011 0.000 1.067 409 G CA 0.349 45.537 45.100 0.148 0.000 0.902 409 G HN 0.571 nan 8.290 nan 0.000 0.500 410 H N 0.895 119.927 119.070 -0.063 0.000 2.846 410 H HA 0.386 4.942 4.556 -0.000 0.000 0.278 410 H C 1.443 176.768 175.328 -0.006 0.000 1.117 410 H CA -0.234 55.792 56.048 -0.036 0.000 1.406 410 H CB 0.023 29.919 29.762 0.223 0.000 1.445 410 H HN 0.639 nan 8.280 nan 0.000 0.469 411 I N 1.350 121.862 120.570 -0.096 0.000 2.815 411 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 411 I C 1.205 177.413 176.117 0.151 0.000 1.209 411 I CA 0.989 62.275 61.300 -0.024 0.000 1.431 411 I CB 0.464 38.366 38.000 -0.162 0.000 1.351 411 I HN 0.754 nan 8.210 nan 0.000 0.585 412 G N 4.625 113.513 108.800 0.147 0.000 2.258 412 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.233 412 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.233 412 G C 0.449 175.390 174.900 0.069 0.000 1.006 412 G CA 0.499 45.681 45.100 0.137 0.000 0.620 412 G HN 1.106 nan 8.290 nan 0.000 0.511 413 W N 1.991 123.171 121.300 -0.199 0.000 2.305 413 W HA -0.080 4.580 4.660 -0.000 0.000 0.308 413 W C 2.410 178.781 176.519 -0.246 0.000 1.226 413 W CA 2.911 59.911 57.345 -0.574 0.000 1.253 413 W CB -0.688 28.434 29.460 -0.563 0.000 1.146 413 W HN 0.391 nan 8.180 nan 0.000 0.507 414 S N 0.070 115.688 115.700 -0.137 0.000 2.393 414 S HA -0.327 4.143 4.470 -0.000 0.000 0.235 414 S C 1.699 176.064 174.600 -0.390 0.000 1.061 414 S CA 2.784 60.777 58.200 -0.346 0.000 1.129 414 S CB -0.939 62.279 63.200 0.029 0.000 1.011 414 S HN 0.207 nan 8.310 nan 0.000 0.436 415 V N 3.225 123.030 119.914 -0.183 0.000 2.239 415 V HA -0.054 4.066 4.120 -0.000 0.000 0.242 415 V C -0.617 175.414 176.094 -0.105 0.000 1.038 415 V CA 1.807 64.056 62.300 -0.086 0.000 1.002 415 V CB -1.807 29.994 31.823 -0.038 0.000 0.641 415 V HN 0.450 nan 8.190 nan 0.000 0.449 416 P HA -0.135 nan 4.420 nan 0.000 0.218 416 P C 1.996 179.254 177.300 -0.070 0.000 1.149 416 P CA 1.881 64.971 63.100 -0.017 0.000 0.817 416 P CB -0.047 31.681 31.700 0.047 0.000 0.785 417 S N -0.104 115.391 115.700 -0.342 0.000 2.356 417 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 417 S C 2.095 176.507 174.600 -0.313 0.000 1.032 417 S CA 1.445 59.362 58.200 -0.471 0.000 1.005 417 S CB -0.980 61.441 63.200 -1.298 0.000 0.867 417 S HN 0.138 nan 8.310 nan 0.000 0.449 418 A N 0.549 123.192 122.820 -0.295 0.000 1.933 418 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 418 A C 1.948 179.477 177.584 -0.092 0.000 1.175 418 A CA 1.617 53.569 52.037 -0.142 0.000 0.628 418 A CB -1.006 17.949 19.000 -0.074 0.000 0.814 418 A HN 0.685 nan 8.150 nan 0.000 0.444 419 F N 1.229 121.081 119.950 -0.163 0.000 2.075 419 F HA -0.038 4.488 4.527 -0.000 0.000 0.297 419 F C 2.277 178.022 175.800 -0.092 0.000 1.113 419 F CA 1.686 59.619 58.000 -0.111 0.000 1.218 419 F CB -0.895 38.065 39.000 -0.066 0.000 0.984 419 F HN 0.174 nan 8.300 nan 0.000 0.472 420 G N 0.310 108.918 108.800 -0.320 0.000 2.418 420 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.217 420 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.217 420 G C 1.690 176.508 174.900 -0.136 0.000 1.158 420 G CA 0.835 45.747 45.100 -0.313 0.000 0.771 420 G HN 0.430 nan 8.290 nan 0.000 0.545 421 N N 1.424 120.027 118.700 -0.163 0.000 2.104 421 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 421 N C 2.513 177.849 175.510 -0.290 0.000 1.024 421 N CA 1.544 54.512 53.050 -0.137 0.000 0.853 421 N CB -0.327 38.143 38.487 -0.029 0.000 1.008 421 N HN 0.252 nan 8.380 nan 0.000 0.424 422 A N 1.308 123.776 122.820 -0.587 0.000 1.902 422 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 422 A C 2.337 179.671 177.584 -0.416 0.000 1.181 422 A CA 1.189 52.718 52.037 -0.846 0.000 0.623 422 A CB -0.477 18.101 19.000 -0.703 0.000 0.818 422 A HN 0.258 nan 8.150 nan 0.000 0.443 423 M N -0.499 118.853 119.600 -0.413 0.000 2.144 423 M HA -0.169 4.310 4.480 -0.000 0.000 0.260 423 M C 2.058 178.158 176.300 -0.334 0.000 1.067 423 M CA 1.692 56.735 55.300 -0.427 0.000 1.095 423 M CB -1.408 30.885 32.600 -0.513 0.000 1.365 423 M HN 0.506 nan 8.290 nan 0.000 0.406 424 G N -0.848 107.771 108.800 -0.301 0.000 2.985 424 G HA2 0.056 4.015 3.960 -0.000 0.000 0.209 424 G HA3 0.056 4.015 3.960 -0.000 0.000 0.209 424 G C 0.338 175.082 174.900 -0.260 0.000 1.165 424 G CA 0.609 45.391 45.100 -0.530 0.000 0.776 424 G HN 0.546 nan 8.290 nan 0.000 0.541 425 S N -0.862 114.765 115.700 -0.121 0.000 2.708 425 S HA 0.230 4.700 4.470 -0.000 0.000 0.141 425 S C 0.418 175.073 174.600 0.091 0.000 1.349 425 S CA -0.596 57.608 58.200 0.007 0.000 1.206 425 S CB 0.402 63.640 63.200 0.064 0.000 1.603 425 S HN 0.231 nan 8.310 nan 0.000 0.415 426 Q N 1.594 121.409 119.800 0.023 0.000 2.436 426 Q HA -0.080 4.260 4.340 -0.000 0.000 0.209 426 Q C 1.331 177.370 176.000 0.065 0.000 0.965 426 Q CA 1.351 57.174 55.803 0.034 0.000 0.910 426 Q CB -0.105 28.637 28.738 0.007 0.000 0.980 426 Q HN 0.878 nan 8.270 nan 0.000 0.491 427 D N 0.114 120.546 120.400 0.054 0.000 2.323 427 D HA -0.070 4.570 4.640 -0.000 0.000 0.209 427 D C 0.443 176.763 176.300 0.032 0.000 0.973 427 D CA 0.273 54.294 54.000 0.036 0.000 0.874 427 D CB 0.175 40.985 40.800 0.017 0.000 0.930 427 D HN 0.086 nan 8.370 nan 0.000 0.521 428 R N 0.134 120.662 120.500 0.048 0.000 2.532 428 R HA 0.379 4.719 4.340 -0.000 0.000 0.272 428 R C -0.317 175.975 176.300 -0.014 0.000 1.032 428 R CA -0.689 55.391 56.100 -0.034 0.000 1.089 428 R CB 0.770 30.975 30.300 -0.159 0.000 1.098 428 R HN -0.065 nan 8.270 nan 0.000 0.526 429 Q N 1.233 120.986 119.800 -0.078 0.000 2.279 429 Q HA 0.177 4.517 4.340 -0.000 0.000 0.256 429 Q C -1.175 174.743 176.000 -0.135 0.000 0.937 429 Q CA 0.218 56.006 55.803 -0.025 0.000 0.933 429 Q CB 0.943 29.679 28.738 -0.002 0.000 1.189 429 Q HN 0.375 nan 8.270 nan 0.000 0.417 430 H N 0.376 119.468 119.070 0.037 0.000 2.504 430 H HA 0.563 5.119 4.556 -0.000 0.000 0.322 430 H C -0.945 174.423 175.328 0.067 0.000 1.055 430 H CA -0.512 55.561 56.048 0.041 0.000 1.231 430 H CB 0.984 30.763 29.762 0.027 0.000 1.417 430 H HN 0.284 nan 8.280 nan 0.000 0.472 431 V N 4.834 124.843 119.914 0.159 0.000 2.540 431 V HA 0.354 4.474 4.120 -0.000 0.000 0.302 431 V C -0.533 175.675 176.094 0.190 0.000 1.035 431 V CA -0.792 61.624 62.300 0.193 0.000 0.873 431 V CB 1.988 33.938 31.823 0.211 0.000 0.992 431 V HN 0.476 nan 8.190 nan 0.000 0.428 432 V N 5.599 125.641 119.914 0.212 0.000 2.495 432 V HA 0.535 4.655 4.120 -0.000 0.000 0.298 432 V C -0.180 176.055 176.094 0.235 0.000 1.031 432 V CA -0.514 61.892 62.300 0.177 0.000 0.871 432 V CB 1.897 33.796 31.823 0.125 0.000 0.988 432 V HN 0.830 nan 8.190 nan 0.000 0.432 433 M N 5.123 124.833 119.600 0.183 0.000 2.114 433 M HA 0.628 5.108 4.480 -0.000 0.000 0.332 433 M C -1.103 175.273 176.300 0.127 0.000 1.014 433 M CA -0.550 54.847 55.300 0.162 0.000 0.956 433 M CB 1.861 34.528 32.600 0.112 0.000 1.551 433 M HN 0.461 nan 8.290 nan 0.000 0.427 434 V N 2.959 122.933 119.914 0.100 0.000 2.733 434 V HA 0.824 4.943 4.120 -0.000 0.000 0.306 434 V C -0.086 176.014 176.094 0.010 0.000 1.084 434 V CA -0.296 62.053 62.300 0.081 0.000 0.905 434 V CB 2.202 34.114 31.823 0.149 0.000 1.010 434 V HN 0.925 nan 8.190 nan 0.000 0.424 435 G N 3.485 112.286 108.800 0.001 0.000 2.572 435 G HA2 0.289 4.249 3.960 -0.000 0.000 0.261 435 G HA3 0.289 4.249 3.960 -0.000 0.000 0.261 435 G C 0.676 175.526 174.900 -0.082 0.000 1.197 435 G CA 0.420 45.493 45.100 -0.045 0.000 0.870 435 G HN 0.936 nan 8.290 nan 0.000 0.548 436 D N 0.204 120.504 120.400 -0.167 0.000 2.144 436 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 436 D C 2.199 178.458 176.300 -0.069 0.000 0.984 436 D CA 1.377 55.204 54.000 -0.287 0.000 0.834 436 D CB -0.936 39.671 40.800 -0.320 0.000 0.955 436 D HN 0.474 nan 8.370 nan 0.000 0.465 437 G N 0.315 109.141 108.800 0.044 0.000 2.418 437 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 437 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 437 G C 1.853 176.847 174.900 0.157 0.000 1.158 437 G CA 1.122 46.352 45.100 0.216 0.000 0.771 437 G HN 0.367 nan 8.290 nan 0.000 0.545 438 S N 0.264 116.017 115.700 0.088 0.000 2.383 438 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 438 S C 1.880 176.544 174.600 0.108 0.000 1.026 438 S CA 0.822 59.061 58.200 0.065 0.000 0.981 438 S CB -0.358 62.869 63.200 0.045 0.000 0.818 438 S HN 0.373 nan 8.310 nan 0.000 0.472 439 F N 2.613 122.545 119.950 -0.029 0.000 2.161 439 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 439 F C 2.355 178.185 175.800 0.050 0.000 1.089 439 F CA 1.408 59.413 58.000 0.008 0.000 1.282 439 F CB -0.399 38.575 39.000 -0.044 0.000 1.010 439 F HN 0.196 nan 8.300 nan 0.000 0.485 440 Q N -0.280 119.521 119.800 0.002 0.000 2.226 440 Q HA -0.191 4.148 4.340 -0.000 0.000 0.204 440 Q C 2.114 178.165 176.000 0.084 0.000 0.975 440 Q CA 1.379 57.119 55.803 -0.105 0.000 0.866 440 Q CB -0.275 28.284 28.738 -0.298 0.000 0.915 440 Q HN 0.414 nan 8.270 nan 0.000 0.440 441 L N -0.201 121.060 121.223 0.064 0.000 2.093 441 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 441 L C 2.040 178.968 176.870 0.096 0.000 1.085 441 L CA 1.785 56.692 54.840 0.111 0.000 0.755 441 L CB -0.064 42.076 42.059 0.135 0.000 0.904 441 L HN 0.289 nan 8.230 nan 0.000 0.435 442 T N -5.759 108.794 114.554 -0.001 0.000 3.209 442 T HA 0.375 4.725 4.350 -0.000 0.000 0.295 442 T C 1.522 176.108 174.700 -0.190 0.000 0.977 442 T CA 0.216 62.295 62.100 -0.035 0.000 0.922 442 T CB 0.158 69.025 68.868 -0.001 0.000 1.152 442 T HN 0.066 nan 8.240 nan 0.000 0.527 443 A N 3.064 125.696 122.820 -0.315 0.000 1.940 443 A HA -0.266 4.054 4.320 -0.000 0.000 0.221 443 A C 2.472 179.952 177.584 -0.174 0.000 1.190 443 A CA 2.131 53.833 52.037 -0.557 0.000 0.647 443 A CB -0.782 18.102 19.000 -0.193 0.000 0.821 443 A HN 0.728 nan 8.150 nan 0.000 0.457 444 Q N -0.660 119.099 119.800 -0.068 0.000 2.376 444 Q HA -0.224 4.116 4.340 -0.000 0.000 0.211 444 Q C 1.236 176.985 176.000 -0.419 0.000 0.986 444 Q CA 1.893 57.574 55.803 -0.203 0.000 0.886 444 Q CB -0.437 28.251 28.738 -0.082 0.000 0.927 444 Q HN 0.640 nan 8.270 nan 0.000 0.457 445 E N 0.671 120.688 120.200 -0.306 0.000 2.427 445 E HA 0.005 4.354 4.350 -0.000 0.000 0.196 445 E C 1.759 178.121 176.600 -0.397 0.000 1.028 445 E CA 0.235 56.419 56.400 -0.360 0.000 0.864 445 E CB 0.067 29.608 29.700 -0.266 0.000 0.813 445 E HN 0.225 nan 8.360 nan 0.000 0.514 446 V N 0.251 119.984 119.914 -0.301 0.000 2.594 446 V HA -0.242 3.878 4.120 -0.000 0.000 0.253 446 V C 2.183 178.096 176.094 -0.302 0.000 1.069 446 V CA 1.573 63.791 62.300 -0.138 0.000 1.082 446 V CB -0.685 31.263 31.823 0.208 0.000 0.680 446 V HN 0.376 nan 8.190 nan 0.000 0.469 447 A N -0.608 121.764 122.820 -0.748 0.000 1.972 447 A HA -0.201 4.118 4.320 -0.000 0.000 0.219 447 A C 2.200 179.586 177.584 -0.330 0.000 1.169 447 A CA 1.313 52.959 52.037 -0.653 0.000 0.635 447 A CB -0.318 18.125 19.000 -0.928 0.000 0.810 447 A HN 0.514 nan 8.150 nan 0.000 0.446 448 Q N -0.453 119.113 119.800 -0.391 0.000 2.079 448 Q HA -0.079 4.260 4.340 -0.000 0.000 0.200 448 Q C 2.114 178.083 176.000 -0.051 0.000 0.974 448 Q CA 1.550 57.159 55.803 -0.323 0.000 0.840 448 Q CB -0.589 27.657 28.738 -0.820 0.000 0.898 448 Q HN 0.785 nan 8.270 nan 0.000 0.430 449 M N -0.163 119.386 119.600 -0.085 0.000 2.108 449 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 449 M C 2.232 178.627 176.300 0.158 0.000 1.066 449 M CA 1.169 56.588 55.300 0.200 0.000 1.107 449 M CB -0.391 32.305 32.600 0.159 0.000 1.356 449 M HN -0.024 nan 8.290 nan 0.000 0.406 450 V N 0.124 120.076 119.914 0.064 0.000 2.261 450 V HA -0.282 3.837 4.120 -0.000 0.000 0.246 450 V C 2.408 178.521 176.094 0.032 0.000 1.047 450 V CA 2.125 64.465 62.300 0.067 0.000 1.015 450 V CB -0.835 31.024 31.823 0.060 0.000 0.642 450 V HN 0.478 nan 8.190 nan 0.000 0.446 451 R N -0.658 119.807 120.500 -0.059 0.000 2.096 451 R HA -0.219 4.120 4.340 -0.000 0.000 0.240 451 R C 1.983 178.137 176.300 -0.243 0.000 1.139 451 R CA 2.244 58.217 56.100 -0.211 0.000 0.952 451 R CB -0.291 29.771 30.300 -0.395 0.000 0.854 451 R HN 0.564 nan 8.270 nan 0.000 0.436 452 Y N 0.859 121.232 120.300 0.121 0.000 2.461 452 Y HA 0.195 4.745 4.550 -0.000 0.000 0.277 452 Y C -0.180 175.785 175.900 0.108 0.000 1.182 452 Y CA 0.095 58.273 58.100 0.129 0.000 1.276 452 Y CB 0.240 38.812 38.460 0.187 0.000 1.087 452 Y HN 0.175 nan 8.280 nan 0.000 0.519 453 E N 0.283 120.605 120.200 0.203 0.000 2.320 453 E HA -0.231 4.119 4.350 -0.000 0.000 0.234 453 E C -0.948 175.740 176.600 0.147 0.000 1.183 453 E CA 0.167 56.663 56.400 0.160 0.000 0.713 453 E CB -1.870 27.909 29.700 0.132 0.000 1.226 453 E HN 0.428 nan 8.360 nan 0.000 0.382 454 L N 1.544 122.867 121.223 0.168 0.000 2.257 454 L HA 0.292 4.631 4.340 -0.000 0.000 0.290 454 L C -1.551 175.385 176.870 0.111 0.000 1.044 454 L CA -1.982 52.935 54.840 0.128 0.000 0.810 454 L CB 0.589 42.734 42.059 0.142 0.000 1.193 454 L HN -0.103 nan 8.230 nan 0.000 0.425 455 P HA 0.064 nan 4.420 nan 0.000 0.225 455 P C -0.195 177.161 177.300 0.093 0.000 1.768 455 P CA -0.063 63.087 63.100 0.085 0.000 0.943 455 P CB 0.029 31.772 31.700 0.071 0.000 1.936 456 V N 2.810 122.783 119.914 0.098 0.000 2.555 456 V HA 0.134 4.254 4.120 -0.000 0.000 0.286 456 V C 1.068 177.204 176.094 0.069 0.000 1.044 456 V CA -0.290 62.075 62.300 0.109 0.000 1.026 456 V CB 0.874 32.761 31.823 0.107 0.000 0.981 456 V HN 0.208 nan 8.190 nan 0.000 0.480 457 I N 6.141 126.745 120.570 0.057 0.000 2.304 457 I HA 0.375 4.544 4.170 -0.000 0.000 0.291 457 I C -0.232 175.841 176.117 -0.073 0.000 1.018 457 I CA 0.022 61.292 61.300 -0.051 0.000 1.260 457 I CB 0.839 38.801 38.000 -0.065 0.000 1.390 457 I HN 0.436 nan 8.210 nan 0.000 0.475 458 I N 6.724 127.208 120.570 -0.143 0.000 2.330 458 I HA 0.250 4.419 4.170 -0.000 0.000 0.289 458 I C -0.631 175.340 176.117 -0.243 0.000 1.001 458 I CA -0.365 60.887 61.300 -0.081 0.000 1.193 458 I CB 0.644 38.651 38.000 0.011 0.000 1.345 458 I HN 0.351 nan 8.210 nan 0.000 0.461 459 F N 6.891 126.840 119.950 -0.002 0.000 2.405 459 F HA 0.223 4.749 4.527 -0.000 0.000 0.358 459 F C 0.190 175.940 175.800 -0.083 0.000 1.151 459 F CA -0.383 57.597 58.000 -0.033 0.000 1.161 459 F CB 0.625 39.619 39.000 -0.009 0.000 1.245 459 F HN 0.304 nan 8.300 nan 0.000 0.545 460 L N 6.302 127.493 121.223 -0.053 0.000 2.261 460 L HA 0.343 4.683 4.340 -0.000 0.000 0.289 460 L C -0.477 176.296 176.870 -0.162 0.000 1.059 460 L CA -0.336 54.377 54.840 -0.213 0.000 0.816 460 L CB 0.333 42.108 42.059 -0.473 0.000 1.191 460 L HN 0.366 nan 8.230 nan 0.000 0.431 461 I N 5.175 125.672 120.570 -0.122 0.000 2.260 461 I HA 0.093 4.263 4.170 -0.000 0.000 0.297 461 I C 0.523 176.553 176.117 -0.144 0.000 1.143 461 I CA -0.187 61.062 61.300 -0.085 0.000 1.271 461 I CB -0.380 37.599 38.000 -0.035 0.000 1.461 461 I HN 0.525 nan 8.210 nan 0.000 0.530 462 N N 5.957 124.566 118.700 -0.152 0.000 2.555 462 N HA 0.039 4.778 4.740 -0.000 0.000 0.244 462 N C 0.534 176.019 175.510 -0.043 0.000 1.114 462 N CA -0.095 52.875 53.050 -0.133 0.000 0.963 462 N CB 0.174 38.612 38.487 -0.081 0.000 1.276 462 N HN 0.447 nan 8.380 nan 0.000 0.510 463 N N 2.245 120.922 118.700 -0.039 0.000 2.234 463 N HA 0.114 4.853 4.740 -0.000 0.000 0.227 463 N C -0.536 174.977 175.510 0.004 0.000 1.151 463 N CA -0.298 52.746 53.050 -0.011 0.000 0.865 463 N CB 0.272 38.751 38.487 -0.014 0.000 1.066 463 N HN 0.217 nan 8.380 nan 0.000 0.515 464 R N -0.462 120.044 120.500 0.010 0.000 3.418 464 R HA -0.060 4.280 4.340 -0.000 0.000 0.274 464 R C 0.269 176.564 176.300 -0.008 0.000 1.108 464 R CA 0.863 56.981 56.100 0.030 0.000 0.741 464 R CB -2.283 28.054 30.300 0.062 0.000 1.223 464 R HN 0.741 nan 8.270 nan 0.000 0.434 465 G N -1.154 107.598 108.800 -0.079 0.000 2.369 465 G HA2 0.104 4.064 3.960 -0.000 0.000 0.293 465 G HA3 0.104 4.064 3.960 -0.000 0.000 0.293 465 G C -1.396 173.442 174.900 -0.104 0.000 1.301 465 G CA -0.913 44.057 45.100 -0.218 0.000 0.913 465 G HN 0.018 nan 8.290 nan 0.000 0.540 466 Y N 1.371 121.564 120.300 -0.178 0.000 2.532 466 Y HA 0.343 4.893 4.550 -0.000 0.000 0.337 466 Y C 1.984 177.800 175.900 -0.139 0.000 1.274 466 Y CA -0.684 57.334 58.100 -0.137 0.000 1.817 466 Y CB -0.079 38.315 38.460 -0.109 0.000 1.769 466 Y HN 0.301 nan 8.280 nan 0.000 0.447 467 V N 2.256 122.187 119.914 0.028 0.000 2.427 467 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 467 V C 2.311 178.404 176.094 -0.002 0.000 1.051 467 V CA 1.660 63.952 62.300 -0.014 0.000 1.048 467 V CB -0.455 31.358 31.823 -0.017 0.000 0.666 467 V HN 0.743 nan 8.190 nan 0.000 0.456 468 I N -0.216 120.358 120.570 0.006 0.000 2.502 468 I HA -0.278 3.892 4.170 -0.000 0.000 0.258 468 I C 2.264 178.406 176.117 0.043 0.000 1.172 468 I CA 1.703 63.013 61.300 0.017 0.000 1.430 468 I CB 0.181 38.184 38.000 0.006 0.000 1.086 468 I HN 0.328 nan 8.210 nan 0.000 0.440 469 E N 0.432 120.662 120.200 0.050 0.000 2.201 469 E HA 0.062 4.412 4.350 -0.000 0.000 0.193 469 E C 1.950 178.597 176.600 0.079 0.000 0.957 469 E CA 0.586 57.038 56.400 0.087 0.000 0.858 469 E CB -0.064 29.713 29.700 0.128 0.000 0.816 469 E HN 0.480 nan 8.360 nan 0.000 0.475 470 I N 0.599 121.177 120.570 0.014 0.000 2.264 470 I HA -0.269 3.900 4.170 -0.000 0.000 0.248 470 I C 2.138 178.258 176.117 0.005 0.000 1.111 470 I CA 1.232 62.517 61.300 -0.025 0.000 1.382 470 I CB -0.214 37.732 38.000 -0.090 0.000 1.060 470 I HN 0.110 nan 8.210 nan 0.000 0.418 471 A N 0.041 122.862 122.820 0.002 0.000 2.066 471 A HA -0.069 4.250 4.320 -0.000 0.000 0.218 471 A C 2.041 179.624 177.584 -0.001 0.000 1.157 471 A CA 1.396 53.428 52.037 -0.009 0.000 0.670 471 A CB -0.255 18.727 19.000 -0.030 0.000 0.804 471 A HN 0.311 nan 8.150 nan 0.000 0.453 472 I N -2.632 117.955 120.570 0.029 0.000 3.194 472 I HA 0.172 4.342 4.170 -0.000 0.000 0.271 472 I C 0.565 176.748 176.117 0.110 0.000 1.150 472 I CA 0.664 61.990 61.300 0.044 0.000 1.440 472 I CB -0.086 37.937 38.000 0.039 0.000 1.276 472 I HN 0.454 nan 8.210 nan 0.000 0.457 473 H N -0.004 119.088 119.070 0.036 0.000 3.059 473 H HA 0.303 4.859 4.556 -0.000 0.000 0.302 473 H C -1.270 174.130 175.328 0.120 0.000 1.264 473 H CA -0.594 55.497 56.048 0.072 0.000 1.615 473 H CB 0.325 30.135 29.762 0.080 0.000 1.795 473 H HN -0.081 nan 8.280 nan 0.000 0.556 474 D N 2.426 122.790 120.400 -0.060 0.000 2.264 474 D HA 0.581 5.220 4.640 -0.000 0.000 0.249 474 D C 0.243 176.462 176.300 -0.135 0.000 1.070 474 D CA 0.676 54.657 54.000 -0.031 0.000 0.912 474 D CB 1.312 42.104 40.800 -0.014 0.000 1.193 474 D HN 0.754 nan 8.370 nan 0.000 0.427 475 G N 1.847 110.447 108.800 -0.333 0.000 2.576 475 G HA2 0.298 4.258 3.960 -0.000 0.000 0.290 475 G HA3 0.298 4.258 3.960 -0.000 0.000 0.290 475 G C -2.306 172.178 174.900 -0.692 0.000 1.442 475 G CA -0.913 43.737 45.100 -0.749 0.000 0.792 475 G HN 0.260 nan 8.290 nan 0.000 0.491 476 P HA -0.133 nan 4.420 nan 0.000 0.221 476 P C 1.147 178.438 177.300 -0.014 0.000 1.145 476 P CA 1.243 64.282 63.100 -0.101 0.000 0.795 476 P CB -0.168 31.491 31.700 -0.067 0.000 0.775 477 Y N -1.305 119.081 120.300 0.145 0.000 2.616 477 Y HA 0.110 4.660 4.550 -0.000 0.000 0.296 477 Y C 1.584 177.511 175.900 0.045 0.000 1.154 477 Y CA 0.004 58.167 58.100 0.105 0.000 1.325 477 Y CB -2.023 36.507 38.460 0.117 0.000 1.007 477 Y HN -0.101 nan 8.280 nan 0.000 0.542 478 N N -0.491 118.199 118.700 -0.017 0.000 2.336 478 N HA 0.005 4.745 4.740 -0.000 0.000 0.189 478 N C -1.121 173.926 175.510 -0.770 0.000 1.113 478 N CA 0.224 53.094 53.050 -0.299 0.000 0.858 478 N CB -0.087 38.147 38.487 -0.421 0.000 0.970 478 N HN 0.398 nan 8.380 nan 0.000 0.471 479 Y N 0.903 121.069 120.300 -0.223 0.000 2.328 479 Y HA 0.452 5.002 4.550 -0.000 0.000 0.337 479 Y C 0.603 176.375 175.900 -0.213 0.000 0.966 479 Y CA -1.165 56.810 58.100 -0.210 0.000 1.136 479 Y CB 0.915 39.298 38.460 -0.129 0.000 1.170 479 Y HN -0.132 nan 8.280 nan 0.000 0.470 480 I N -0.506 119.988 120.570 -0.128 0.000 2.863 480 I HA 0.672 4.842 4.170 -0.000 0.000 0.311 480 I C -0.483 175.625 176.117 -0.014 0.000 1.026 480 I CA -1.686 59.545 61.300 -0.115 0.000 1.077 480 I CB 1.584 39.442 38.000 -0.236 0.000 1.262 480 I HN 0.250 nan 8.210 nan 0.000 0.461 481 K N 3.178 123.598 120.400 0.032 0.000 2.412 481 K HA 0.082 4.402 4.320 -0.000 0.000 0.284 481 K C -0.252 176.399 176.600 0.086 0.000 1.046 481 K CA 0.311 56.657 56.287 0.098 0.000 0.999 481 K CB 0.016 32.629 32.500 0.187 0.000 0.941 481 K HN 0.688 nan 8.250 nan 0.000 0.474 482 N N 3.536 122.292 118.700 0.094 0.000 2.479 482 N HA 0.117 4.857 4.740 -0.000 0.000 0.257 482 N C -1.140 174.472 175.510 0.170 0.000 1.232 482 N CA 0.049 53.152 53.050 0.089 0.000 0.920 482 N CB 0.337 38.881 38.487 0.095 0.000 1.105 482 N HN 0.344 nan 8.380 nan 0.000 0.444 483 W N 0.371 121.411 121.300 -0.433 0.000 2.736 483 W HA 0.258 4.918 4.660 -0.000 0.000 0.355 483 W C -0.162 175.993 176.519 -0.607 0.000 1.102 483 W CA -0.839 56.127 57.345 -0.632 0.000 1.164 483 W CB 0.166 29.060 29.460 -0.943 0.000 1.422 483 W HN 0.427 nan 8.180 nan 0.000 0.572 484 D N 0.792 121.107 120.400 -0.141 0.000 2.517 484 D HA 0.065 4.705 4.640 -0.000 0.000 0.220 484 D C 0.658 176.924 176.300 -0.057 0.000 1.158 484 D CA -0.026 53.925 54.000 -0.082 0.000 0.992 484 D CB -0.193 40.572 40.800 -0.059 0.000 1.058 484 D HN 0.175 nan 8.370 nan 0.000 0.516 485 Y N 2.021 122.394 120.300 0.121 0.000 2.181 485 Y HA -0.137 4.412 4.550 -0.000 0.000 0.288 485 Y C 2.497 178.399 175.900 0.002 0.000 1.146 485 Y CA 1.201 59.350 58.100 0.082 0.000 1.164 485 Y CB -0.482 37.938 38.460 -0.065 0.000 0.982 485 Y HN 0.478 nan 8.280 nan 0.000 0.515 486 A N 0.311 123.209 122.820 0.130 0.000 1.908 486 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 486 A C 2.548 180.143 177.584 0.018 0.000 1.181 486 A CA 1.781 53.849 52.037 0.052 0.000 0.627 486 A CB -1.493 17.528 19.000 0.035 0.000 0.818 486 A HN 0.476 nan 8.150 nan 0.000 0.445 487 G N -0.777 108.020 108.800 -0.005 0.000 2.509 487 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.218 487 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.218 487 G C 1.331 176.169 174.900 -0.103 0.000 1.124 487 G CA 0.947 46.017 45.100 -0.051 0.000 0.776 487 G HN 0.454 nan 8.290 nan 0.000 0.547 488 L N 0.150 121.312 121.223 -0.102 0.000 2.275 488 L HA 0.135 4.475 4.340 -0.000 0.000 0.215 488 L C 2.558 179.227 176.870 -0.335 0.000 1.119 488 L CA 1.101 55.788 54.840 -0.255 0.000 0.790 488 L CB -0.226 41.767 42.059 -0.109 0.000 0.919 488 L HN 0.071 nan 8.230 nan 0.000 0.443 489 M N -0.970 118.575 119.600 -0.091 0.000 2.086 489 M HA -0.153 4.326 4.480 -0.000 0.000 0.261 489 M C 2.119 178.407 176.300 -0.020 0.000 1.067 489 M CA 1.380 56.687 55.300 0.012 0.000 1.116 489 M CB -1.050 31.589 32.600 0.065 0.000 1.348 489 M HN 0.218 nan 8.290 nan 0.000 0.407 490 E N 0.078 120.244 120.200 -0.056 0.000 2.118 490 E HA -0.115 4.234 4.350 -0.000 0.000 0.195 490 E C 2.264 178.816 176.600 -0.081 0.000 0.992 490 E CA 0.912 57.281 56.400 -0.052 0.000 0.804 490 E CB -0.493 29.175 29.700 -0.054 0.000 0.741 490 E HN 0.298 nan 8.360 nan 0.000 0.458 491 V N 0.777 120.584 119.914 -0.179 0.000 2.287 491 V HA -0.249 3.870 4.120 -0.000 0.000 0.248 491 V C 2.075 178.114 176.094 -0.091 0.000 1.053 491 V CA 1.713 63.883 62.300 -0.216 0.000 1.027 491 V CB -0.575 31.013 31.823 -0.391 0.000 0.646 491 V HN 0.139 nan 8.190 nan 0.000 0.447 492 F N 0.465 120.412 119.950 -0.006 0.000 2.325 492 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 492 F C 2.247 178.034 175.800 -0.023 0.000 1.090 492 F CA 0.478 58.472 58.000 -0.009 0.000 1.392 492 F CB -1.119 37.888 39.000 0.012 0.000 1.053 492 F HN 0.205 nan 8.300 nan 0.000 0.521 493 N N 0.738 119.514 118.700 0.128 0.000 2.106 493 N HA -0.071 4.668 4.740 -0.000 0.000 0.188 493 N C 1.446 176.961 175.510 0.008 0.000 1.029 493 N CA 1.393 54.468 53.050 0.041 0.000 0.848 493 N CB -0.648 37.838 38.487 -0.002 0.000 1.007 493 N HN 0.094 nan 8.380 nan 0.000 0.423 494 A N -0.464 122.358 122.820 0.003 0.000 2.704 494 A HA -0.095 4.225 4.320 -0.000 0.000 0.299 494 A C 1.350 178.918 177.584 -0.026 0.000 1.507 494 A CA 1.805 53.836 52.037 -0.010 0.000 0.776 494 A CB -1.957 17.046 19.000 0.005 0.000 1.027 494 A HN 0.892 nan 8.150 nan 0.000 0.475 495 G N -2.267 106.509 108.800 -0.039 0.000 2.184 495 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.264 495 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.264 495 G C 0.582 175.437 174.900 -0.074 0.000 0.975 495 G CA 1.462 46.532 45.100 -0.051 0.000 0.642 495 G HN 0.885 nan 8.290 nan 0.000 0.536 496 E N -0.064 120.087 120.200 -0.082 0.000 2.110 496 E HA 0.308 4.658 4.350 -0.000 0.000 0.194 496 E C 1.994 178.470 176.600 -0.206 0.000 0.944 496 E CA 0.155 56.492 56.400 -0.104 0.000 0.899 496 E CB -0.036 29.628 29.700 -0.060 0.000 0.907 496 E HN 0.431 nan 8.360 nan 0.000 0.473 497 G N -0.221 108.487 108.800 -0.154 0.000 2.651 497 G HA2 -0.000 3.959 3.960 -0.000 0.000 0.260 497 G HA3 -0.000 3.959 3.960 -0.000 0.000 0.260 497 G C -0.512 174.199 174.900 -0.315 0.000 1.216 497 G CA -0.146 44.858 45.100 -0.161 0.000 0.913 497 G HN 0.309 nan 8.290 nan 0.000 0.535 498 H N -1.134 117.961 119.070 0.042 0.000 2.467 498 H HA 0.360 4.916 4.556 -0.000 0.000 0.275 498 H C 1.282 176.639 175.328 0.049 0.000 1.131 498 H CA 0.073 56.145 56.048 0.041 0.000 0.989 498 H CB 0.461 30.244 29.762 0.037 0.000 1.696 498 H HN 0.595 nan 8.280 nan 0.000 0.574 499 G N 0.630 109.500 108.800 0.118 0.000 2.483 499 G HA2 0.373 4.332 3.960 -0.000 0.000 0.248 499 G HA3 0.373 4.332 3.960 -0.000 0.000 0.248 499 G C -0.553 174.398 174.900 0.084 0.000 1.248 499 G CA -0.431 44.736 45.100 0.112 0.000 0.838 499 G HN 0.267 nan 8.290 nan 0.000 0.566 500 L N 1.227 122.493 121.223 0.071 0.000 2.346 500 L HA 0.656 4.995 4.340 -0.000 0.000 0.276 500 L C 0.462 177.351 176.870 0.031 0.000 1.006 500 L CA -0.871 53.996 54.840 0.045 0.000 0.817 500 L CB 2.231 44.310 42.059 0.034 0.000 1.272 500 L HN 0.656 nan 8.230 nan 0.000 0.421 501 G N 4.867 113.679 108.800 0.021 0.000 2.487 501 G HA2 0.680 4.639 3.960 -0.000 0.000 0.314 501 G HA3 0.680 4.639 3.960 -0.000 0.000 0.314 501 G C -1.233 173.668 174.900 0.002 0.000 1.267 501 G CA -0.303 44.804 45.100 0.012 0.000 0.937 501 G HN 0.386 nan 8.290 nan 0.000 0.481 502 L N 1.389 122.606 121.223 -0.010 0.000 2.388 502 L HA 0.564 4.904 4.340 -0.000 0.000 0.264 502 L C -0.075 176.791 176.870 -0.006 0.000 0.998 502 L CA -1.014 53.821 54.840 -0.008 0.000 0.817 502 L CB 2.899 44.948 42.059 -0.016 0.000 1.338 502 L HN 0.292 nan 8.230 nan 0.000 0.414 503 K N 1.559 121.962 120.400 0.004 0.000 2.185 503 K HA 0.745 5.065 4.320 -0.000 0.000 0.269 503 K C -0.792 175.812 176.600 0.007 0.000 0.987 503 K CA -0.520 55.773 56.287 0.011 0.000 0.865 503 K CB 2.048 34.559 32.500 0.018 0.000 1.090 503 K HN 0.661 nan 8.250 nan 0.000 0.450 504 A N 2.111 124.935 122.820 0.007 0.000 2.304 504 A HA 0.362 4.681 4.320 -0.000 0.000 0.314 504 A C 0.310 177.893 177.584 -0.002 0.000 1.187 504 A CA -0.389 51.649 52.037 0.002 0.000 0.810 504 A CB 1.344 20.348 19.000 0.007 0.000 1.183 504 A HN 0.714 nan 8.150 nan 0.000 0.487 505 T N 0.716 115.267 114.554 -0.005 0.000 2.958 505 T HA 0.242 4.591 4.350 -0.000 0.000 0.256 505 T C 0.613 175.308 174.700 -0.009 0.000 0.983 505 T CA 1.298 63.396 62.100 -0.002 0.000 0.924 505 T CB 0.044 68.916 68.868 0.005 0.000 1.136 505 T HN 1.019 nan 8.240 nan 0.000 0.506 506 T N -1.285 113.260 114.554 -0.015 0.000 2.883 506 T HA 0.517 4.867 4.350 -0.000 0.000 0.296 506 T C -2.549 172.125 174.700 -0.043 0.000 1.117 506 T CA -1.586 60.504 62.100 -0.017 0.000 1.006 506 T CB 1.691 70.559 68.868 -0.001 0.000 1.191 506 T HN -0.359 nan 8.240 nan 0.000 0.508 507 P HA -0.045 nan 4.420 nan 0.000 0.218 507 P C 1.473 178.778 177.300 0.009 0.000 1.148 507 P CA 0.887 63.942 63.100 -0.075 0.000 0.822 507 P CB 0.156 31.881 31.700 0.042 0.000 0.784 508 K N 0.347 120.771 120.400 0.041 0.000 2.057 508 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 508 K C 2.062 178.688 176.600 0.043 0.000 1.049 508 K CA 1.455 57.778 56.287 0.059 0.000 0.931 508 K CB -0.250 32.276 32.500 0.043 0.000 0.714 508 K HN 0.071 nan 8.250 nan 0.000 0.440 509 E N 0.315 120.524 120.200 0.015 0.000 2.204 509 E HA -0.167 4.182 4.350 -0.000 0.000 0.194 509 E C 1.945 178.550 176.600 0.009 0.000 0.989 509 E CA 0.494 56.901 56.400 0.012 0.000 0.824 509 E CB 0.084 29.787 29.700 0.004 0.000 0.756 509 E HN 0.160 nan 8.360 nan 0.000 0.477 510 L N 0.139 121.347 121.223 -0.026 0.000 2.109 510 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 510 L C 2.347 179.257 176.870 0.067 0.000 1.086 510 L CA 1.759 56.580 54.840 -0.033 0.000 0.760 510 L CB -0.709 41.218 42.059 -0.221 0.000 0.910 510 L HN 0.009 nan 8.230 nan 0.000 0.437 511 T N -0.945 113.682 114.554 0.121 0.000 2.788 511 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 511 T C 1.736 176.515 174.700 0.133 0.000 1.044 511 T CA 1.802 64.040 62.100 0.230 0.000 1.139 511 T CB -0.056 68.966 68.868 0.257 0.000 0.867 511 T HN 0.467 nan 8.240 nan 0.000 0.454 512 E N 0.317 120.569 120.200 0.087 0.000 2.072 512 E HA 0.020 4.369 4.350 -0.000 0.000 0.191 512 E C 2.432 179.065 176.600 0.054 0.000 0.985 512 E CA 0.950 57.387 56.400 0.060 0.000 0.801 512 E CB -0.196 29.530 29.700 0.043 0.000 0.750 512 E HN 0.506 nan 8.360 nan 0.000 0.452 513 A N 0.791 123.642 122.820 0.052 0.000 1.933 513 A HA -0.161 4.158 4.320 -0.000 0.000 0.218 513 A C 2.125 179.730 177.584 0.035 0.000 1.175 513 A CA 1.042 53.097 52.037 0.031 0.000 0.628 513 A CB -0.496 18.514 19.000 0.017 0.000 0.814 513 A HN 0.161 nan 8.150 nan 0.000 0.444 514 I N -0.421 120.203 120.570 0.090 0.000 2.353 514 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 514 I C 2.926 179.092 176.117 0.081 0.000 1.119 514 I CA 0.830 62.200 61.300 0.115 0.000 1.417 514 I CB -0.280 37.855 38.000 0.225 0.000 1.078 514 I HN 0.346 nan 8.210 nan 0.000 0.421 515 A N 0.961 123.825 122.820 0.074 0.000 1.908 515 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 515 A C 2.406 180.014 177.584 0.039 0.000 1.181 515 A CA 1.387 53.457 52.037 0.054 0.000 0.627 515 A CB -0.460 18.570 19.000 0.050 0.000 0.818 515 A HN 0.256 nan 8.150 nan 0.000 0.445 516 R N -0.539 119.981 120.500 0.033 0.000 2.081 516 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 516 R C 2.468 178.780 176.300 0.019 0.000 1.131 516 R CA 1.311 57.425 56.100 0.024 0.000 0.960 516 R CB -0.844 29.468 30.300 0.019 0.000 0.856 516 R HN 0.537 nan 8.270 nan 0.000 0.436 517 A N 1.740 124.567 122.820 0.011 0.000 1.877 517 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 517 A C 2.058 179.653 177.584 0.019 0.000 1.186 517 A CA 1.463 53.499 52.037 -0.002 0.000 0.620 517 A CB -0.307 18.667 19.000 -0.042 0.000 0.822 517 A HN 0.231 nan 8.150 nan 0.000 0.443 518 K N -0.319 120.100 120.400 0.032 0.000 2.147 518 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 518 K C 1.973 178.590 176.600 0.029 0.000 1.049 518 K CA 1.055 57.364 56.287 0.037 0.000 0.936 518 K CB -0.248 32.278 32.500 0.043 0.000 0.722 518 K HN 0.452 nan 8.250 nan 0.000 0.446 519 A N 1.169 124.004 122.820 0.026 0.000 2.169 519 A HA -0.037 4.283 4.320 -0.000 0.000 0.212 519 A C 0.762 178.357 177.584 0.019 0.000 1.153 519 A CA 0.278 52.328 52.037 0.021 0.000 0.756 519 A CB -0.173 18.840 19.000 0.021 0.000 0.813 519 A HN 0.158 nan 8.150 nan 0.000 0.471 520 N N 0.928 119.642 118.700 0.024 0.000 2.555 520 N HA 0.133 4.873 4.740 -0.000 0.000 0.244 520 N C 1.015 176.542 175.510 0.027 0.000 1.114 520 N CA 0.735 53.802 53.050 0.029 0.000 0.963 520 N CB 0.519 39.030 38.487 0.039 0.000 1.276 520 N HN 0.272 nan 8.380 nan 0.000 0.510 521 T N -0.206 114.354 114.554 0.008 0.000 3.065 521 T HA 0.145 4.495 4.350 -0.000 0.000 0.252 521 T C 1.141 175.845 174.700 0.006 0.000 1.099 521 T CA 0.470 62.574 62.100 0.008 0.000 1.063 521 T CB 0.103 68.968 68.868 -0.005 0.000 0.948 521 T HN 0.341 nan 8.240 nan 0.000 0.506 522 R N 0.514 121.009 120.500 -0.009 0.000 2.577 522 R HA 0.524 4.863 4.340 -0.000 0.000 0.344 522 R C 0.459 176.819 176.300 0.101 0.000 1.037 522 R CA -0.216 55.881 56.100 -0.004 0.000 1.102 522 R CB 1.229 31.420 30.300 -0.181 0.000 1.313 522 R HN 0.475 nan 8.270 nan 0.000 0.561 523 G N 1.121 109.986 108.800 0.109 0.000 2.547 523 G HA2 0.251 4.211 3.960 -0.000 0.000 0.291 523 G HA3 0.251 4.211 3.960 -0.000 0.000 0.291 523 G C -3.193 171.772 174.900 0.108 0.000 1.471 523 G CA -0.967 44.214 45.100 0.135 0.000 0.798 523 G HN -0.272 nan 8.290 nan 0.000 0.504 524 P HA 0.350 nan 4.420 nan 0.000 0.274 524 P C -0.490 176.853 177.300 0.072 0.000 1.231 524 P CA 0.113 63.271 63.100 0.096 0.000 0.790 524 P CB 1.161 32.932 31.700 0.119 0.000 0.951 525 T N 2.549 117.120 114.554 0.029 0.000 2.815 525 T HA 0.399 4.748 4.350 -0.000 0.000 0.289 525 T C -0.161 174.499 174.700 -0.068 0.000 1.000 525 T CA -0.432 61.660 62.100 -0.013 0.000 0.958 525 T CB 0.549 69.392 68.868 -0.042 0.000 0.944 525 T HN 0.281 nan 8.240 nan 0.000 0.442 526 L N 4.913 126.111 121.223 -0.042 0.000 2.264 526 L HA 0.601 4.941 4.340 -0.000 0.000 0.289 526 L C -0.915 175.879 176.870 -0.127 0.000 1.044 526 L CA -0.714 54.074 54.840 -0.088 0.000 0.807 526 L CB 0.317 42.360 42.059 -0.027 0.000 1.192 526 L HN 0.641 nan 8.230 nan 0.000 0.425 527 I N 5.121 125.562 120.570 -0.216 0.000 2.330 527 I HA 0.214 4.383 4.170 -0.000 0.000 0.286 527 I C 0.128 176.183 176.117 -0.104 0.000 1.025 527 I CA -0.299 60.901 61.300 -0.166 0.000 1.197 527 I CB 1.328 39.180 38.000 -0.247 0.000 1.358 527 I HN 0.602 nan 8.210 nan 0.000 0.467 528 E N 6.318 126.481 120.200 -0.062 0.000 2.029 528 E HA 0.151 4.501 4.350 -0.000 0.000 0.276 528 E C -1.006 175.585 176.600 -0.015 0.000 1.163 528 E CA -0.497 55.874 56.400 -0.049 0.000 0.909 528 E CB 0.464 30.181 29.700 0.028 0.000 1.046 528 E HN 0.622 nan 8.360 nan 0.000 0.406 529 C N 5.023 124.315 119.300 -0.013 0.000 2.373 529 C HA 0.214 4.674 4.460 -0.000 0.000 0.354 529 C C 0.286 175.271 174.990 -0.009 0.000 1.249 529 C CA -0.649 58.375 59.018 0.010 0.000 1.784 529 C CB -0.035 27.733 27.740 0.046 0.000 2.408 529 C HN 0.687 nan 8.230 nan 0.000 0.542 530 Q N 3.189 122.989 119.800 0.001 0.000 2.360 530 Q HA 0.650 4.990 4.340 -0.000 0.000 0.254 530 Q C -0.180 175.820 176.000 -0.001 0.000 0.975 530 Q CA 0.137 55.943 55.803 0.005 0.000 0.912 530 Q CB 0.885 29.635 28.738 0.019 0.000 1.212 530 Q HN 0.833 nan 8.270 nan 0.000 0.452 531 I N -1.991 118.577 120.570 -0.004 0.000 3.002 531 I HA 0.590 4.759 4.170 -0.000 0.000 0.310 531 I C -0.548 175.570 176.117 0.001 0.000 1.087 531 I CA -1.346 59.951 61.300 -0.004 0.000 1.017 531 I CB 1.971 39.966 38.000 -0.009 0.000 1.226 531 I HN 0.258 nan 8.210 nan 0.000 0.443 532 D N 1.555 121.956 120.400 0.002 0.000 2.372 532 D HA 0.123 4.762 4.640 -0.000 0.000 0.243 532 D C 1.237 177.540 176.300 0.006 0.000 1.121 532 D CA -0.089 53.914 54.000 0.006 0.000 0.898 532 D CB 1.293 42.096 40.800 0.005 0.000 1.202 532 D HN 0.668 nan 8.370 nan 0.000 0.428 533 R N 1.585 122.094 120.500 0.015 0.000 2.200 533 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 533 R C 1.340 177.645 176.300 0.009 0.000 1.127 533 R CA 1.512 57.622 56.100 0.018 0.000 0.989 533 R CB -0.174 30.154 30.300 0.046 0.000 0.869 533 R HN 0.426 nan 8.270 nan 0.000 0.459 534 T N -0.244 114.314 114.554 0.007 0.000 3.088 534 T HA -0.056 4.294 4.350 -0.000 0.000 0.259 534 T C -0.096 174.599 174.700 -0.010 0.000 1.122 534 T CA 0.666 62.766 62.100 -0.000 0.000 1.095 534 T CB -0.056 68.812 68.868 0.001 0.000 0.930 534 T HN 0.214 nan 8.240 nan 0.000 0.508 535 D N 1.926 122.321 120.400 -0.009 0.000 2.943 535 D HA 0.179 4.819 4.640 -0.000 0.000 0.249 535 D C 0.185 176.475 176.300 -0.016 0.000 1.231 535 D CA -0.543 53.450 54.000 -0.012 0.000 0.979 535 D CB -0.849 39.947 40.800 -0.007 0.000 1.053 535 D HN 0.424 nan 8.370 nan 0.000 0.504 536 C N -0.167 119.117 119.300 -0.028 0.000 2.423 536 C HA 0.871 5.331 4.460 -0.000 0.000 0.378 536 C C 0.916 175.873 174.990 -0.055 0.000 1.244 536 C CA -0.778 58.216 59.018 -0.039 0.000 1.978 536 C CB 0.496 28.203 27.740 -0.055 0.000 2.252 536 C HN 0.467 nan 8.230 nan 0.000 0.526 537 T N -0.686 113.825 114.554 -0.072 0.000 2.930 537 T HA 0.147 4.497 4.350 -0.000 0.000 0.306 537 T C 0.553 175.172 174.700 -0.135 0.000 1.045 537 T CA 0.213 62.264 62.100 -0.081 0.000 1.134 537 T CB 0.408 69.242 68.868 -0.057 0.000 0.961 537 T HN 0.708 nan 8.240 nan 0.000 0.545 538 D N 1.311 121.655 120.400 -0.094 0.000 2.149 538 D HA -0.119 4.520 4.640 -0.000 0.000 0.198 538 D C 1.902 178.111 176.300 -0.152 0.000 0.990 538 D CA 1.085 55.025 54.000 -0.100 0.000 0.839 538 D CB -0.271 40.494 40.800 -0.058 0.000 0.948 538 D HN 0.670 nan 8.370 nan 0.000 0.460 539 M N 0.188 119.691 119.600 -0.161 0.000 2.082 539 M HA -0.211 4.268 4.480 -0.000 0.000 0.258 539 M C 2.199 178.180 176.300 -0.533 0.000 1.069 539 M CA 1.313 56.485 55.300 -0.214 0.000 1.102 539 M CB -0.101 32.472 32.600 -0.044 0.000 1.336 539 M HN 0.076 nan 8.290 nan 0.000 0.404 540 L N -0.286 120.403 121.223 -0.891 0.000 2.012 540 L HA -0.203 4.136 4.340 -0.000 0.000 0.210 540 L C 2.070 178.699 176.870 -0.402 0.000 1.073 540 L CA 1.293 55.442 54.840 -1.152 0.000 0.748 540 L CB -0.284 41.246 42.059 -0.882 0.000 0.891 540 L HN 0.146 nan 8.230 nan 0.000 0.431 541 V N -0.187 119.569 119.914 -0.263 0.000 2.295 541 V HA -0.326 3.793 4.120 -0.000 0.000 0.246 541 V C 2.521 178.542 176.094 -0.121 0.000 1.049 541 V CA 2.144 64.358 62.300 -0.143 0.000 1.024 541 V CB -0.715 31.043 31.823 -0.109 0.000 0.648 541 V HN 0.542 nan 8.190 nan 0.000 0.447 542 Q N -1.494 118.230 119.800 -0.126 0.000 2.002 542 Q HA -0.296 4.044 4.340 -0.000 0.000 0.204 542 Q C 2.095 178.032 176.000 -0.104 0.000 0.988 542 Q CA 2.558 58.299 55.803 -0.103 0.000 0.843 542 Q CB -0.315 28.367 28.738 -0.093 0.000 0.908 542 Q HN 0.800 nan 8.270 nan 0.000 0.420 543 W N 0.642 121.747 121.300 -0.325 0.000 2.335 543 W HA -0.185 4.474 4.660 -0.000 0.000 0.311 543 W C 2.049 178.423 176.519 -0.242 0.000 1.213 543 W CA 2.107 59.245 57.345 -0.345 0.000 1.274 543 W CB -0.807 28.392 29.460 -0.435 0.000 1.148 543 W HN 0.156 nan 8.180 nan 0.000 0.498 544 G N 0.322 109.053 108.800 -0.115 0.000 2.446 544 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 544 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 544 G C 1.583 176.296 174.900 -0.311 0.000 1.168 544 G CA 1.165 46.086 45.100 -0.300 0.000 0.771 544 G HN 0.300 nan 8.290 nan 0.000 0.551 545 R N -0.167 120.215 120.500 -0.197 0.000 2.091 545 R HA -0.040 4.299 4.340 -0.000 0.000 0.238 545 R C 2.577 178.768 176.300 -0.183 0.000 1.136 545 R CA 1.256 57.267 56.100 -0.148 0.000 0.959 545 R CB -0.169 30.070 30.300 -0.101 0.000 0.856 545 R HN 0.126 nan 8.270 nan 0.000 0.437 546 K N 0.603 120.857 120.400 -0.244 0.000 2.031 546 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 546 K C 2.041 178.469 176.600 -0.286 0.000 1.049 546 K CA 0.988 57.138 56.287 -0.228 0.000 0.939 546 K CB -0.231 32.133 32.500 -0.226 0.000 0.717 546 K HN 0.019 nan 8.250 nan 0.000 0.438 547 V N 1.493 121.111 119.914 -0.492 0.000 2.295 547 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 547 V C 2.506 178.429 176.094 -0.286 0.000 1.049 547 V CA 2.019 64.019 62.300 -0.500 0.000 1.024 547 V CB -0.768 30.475 31.823 -0.966 0.000 0.648 547 V HN 0.342 nan 8.190 nan 0.000 0.447 548 A N 0.626 123.287 122.820 -0.264 0.000 1.902 548 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 548 A C 2.537 180.071 177.584 -0.084 0.000 1.181 548 A CA 2.343 54.297 52.037 -0.138 0.000 0.623 548 A CB -0.746 18.196 19.000 -0.096 0.000 0.818 548 A HN 0.696 nan 8.150 nan 0.000 0.443 549 S N -1.343 114.307 115.700 -0.082 0.000 2.428 549 S HA -0.101 4.369 4.470 -0.000 0.000 0.230 549 S C 1.770 176.357 174.600 -0.023 0.000 1.014 549 S CA 1.729 59.905 58.200 -0.040 0.000 0.957 549 S CB -0.883 62.296 63.200 -0.036 0.000 0.784 549 S HN 0.458 nan 8.310 nan 0.000 0.499 550 T N 2.842 117.374 114.554 -0.036 0.000 2.812 550 T HA 0.053 4.403 4.350 -0.000 0.000 0.264 550 T C 1.616 176.342 174.700 0.043 0.000 1.042 550 T CA 1.270 63.382 62.100 0.020 0.000 1.140 550 T CB -0.472 68.404 68.868 0.014 0.000 0.870 550 T HN 0.419 nan 8.240 nan 0.000 0.445 551 N N 1.487 120.188 118.700 0.002 0.000 2.453 551 N HA 0.076 4.816 4.740 -0.000 0.000 0.183 551 N C 1.522 177.032 175.510 -0.000 0.000 1.041 551 N CA 0.690 53.747 53.050 0.012 0.000 0.900 551 N CB -0.196 38.283 38.487 -0.013 0.000 0.961 551 N HN 0.415 nan 8.380 nan 0.000 0.443 552 A N 0.580 123.395 122.820 -0.009 0.000 2.308 552 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 552 A C 0.953 178.541 177.584 0.007 0.000 1.216 552 A CA -0.402 51.629 52.037 -0.010 0.000 0.864 552 A CB -0.140 18.850 19.000 -0.016 0.000 0.902 552 A HN 0.217 nan 8.150 nan 0.000 0.499 553 R N -0.039 120.474 120.500 0.021 0.000 2.583 553 R HA -0.012 4.328 4.340 -0.000 0.000 0.274 553 R C 0.115 176.428 176.300 0.022 0.000 0.998 553 R CA 0.656 56.773 56.100 0.028 0.000 1.081 553 R CB 0.343 30.673 30.300 0.050 0.000 0.940 553 R HN 0.007 nan 8.270 nan 0.000 0.413 554 K N 1.377 121.788 120.400 0.018 0.000 2.323 554 K HA 0.143 4.462 4.320 -0.000 0.000 0.197 554 K C -0.065 176.542 176.600 0.012 0.000 1.043 554 K CA 0.864 57.159 56.287 0.013 0.000 0.997 554 K CB 0.697 33.204 32.500 0.011 0.000 0.807 554 K HN 0.656 nan 8.250 nan 0.000 0.497 555 T N 0.000 114.563 114.554 0.014 0.000 3.816 555 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 555 T CA 0.000 62.106 62.100 0.011 0.000 1.349 555 T CB 0.000 68.873 68.868 0.009 0.000 0.612 555 T HN 0.000 nan 8.240 nan 0.000 0.658