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 1krc_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLKIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVCAH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.615 174.600 0.025 0.000 1.055 2 S CA 0.000 58.219 58.200 0.031 0.000 1.107 2 S CB 0.000 63.221 63.200 0.036 0.000 0.593 3 N N -0.002 118.714 118.700 0.027 0.000 2.277 3 N HA 0.717 5.457 4.740 -0.000 0.000 0.286 3 N C -1.955 173.576 175.510 0.034 0.000 1.140 3 N CA -0.334 52.724 53.050 0.013 0.000 0.799 3 N CB 2.636 41.125 38.487 0.002 0.000 1.596 3 N HN 0.710 nan 8.380 nan 0.000 0.473 4 I N 0.890 121.480 120.570 0.034 0.000 2.692 4 I HA 0.236 4.406 4.170 -0.000 0.000 0.293 4 I C 0.009 176.158 176.117 0.054 0.000 1.200 4 I CA -0.433 60.914 61.300 0.078 0.000 1.036 4 I CB 1.864 39.969 38.000 0.174 0.000 1.258 4 I HN 0.634 nan 8.210 nan 0.000 0.421 5 S N 6.222 121.957 115.700 0.059 0.000 2.584 5 S HA 0.299 4.769 4.470 -0.000 0.000 0.270 5 S C 1.047 175.691 174.600 0.074 0.000 1.346 5 S CA -0.394 57.831 58.200 0.041 0.000 1.018 5 S CB 1.379 64.601 63.200 0.037 0.000 0.899 5 S HN 0.798 nan 8.310 nan 0.000 0.542 6 R N 0.359 120.880 120.500 0.035 0.000 2.120 6 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 6 R C 2.403 178.779 176.300 0.128 0.000 1.123 6 R CA 1.646 57.779 56.100 0.054 0.000 0.975 6 R CB -0.440 29.860 30.300 -0.001 0.000 0.866 6 R HN 0.795 nan 8.270 nan 0.000 0.446 7 Q N 0.736 120.590 119.800 0.090 0.000 2.046 7 Q HA -0.056 4.284 4.340 -0.000 0.000 0.200 7 Q C 1.912 177.970 176.000 0.096 0.000 0.975 7 Q CA 2.082 57.937 55.803 0.086 0.000 0.836 7 Q CB -0.318 28.452 28.738 0.053 0.000 0.896 7 Q HN 0.279 nan 8.270 nan 0.000 0.428 8 A N -0.578 122.297 122.820 0.091 0.000 1.933 8 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 8 A C 2.069 179.711 177.584 0.098 0.000 1.175 8 A CA 1.557 53.636 52.037 0.069 0.000 0.628 8 A CB -1.146 17.893 19.000 0.064 0.000 0.814 8 A HN 0.621 nan 8.150 nan 0.000 0.444 9 Y N 0.592 120.944 120.300 0.087 0.000 2.128 9 Y HA -0.151 4.399 4.550 -0.000 0.000 0.284 9 Y C 2.707 178.718 175.900 0.186 0.000 1.154 9 Y CA 1.487 59.706 58.100 0.198 0.000 1.149 9 Y CB -0.543 38.000 38.460 0.138 0.000 0.976 9 Y HN 0.323 nan 8.280 nan 0.000 0.505 10 A N 0.145 123.143 122.820 0.297 0.000 1.883 10 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 10 A C 1.894 179.511 177.584 0.055 0.000 1.186 10 A CA 2.170 54.326 52.037 0.200 0.000 0.624 10 A CB -0.935 18.164 19.000 0.165 0.000 0.822 10 A HN 0.552 nan 8.150 nan 0.000 0.444 11 D N -1.221 119.185 120.400 0.009 0.000 2.264 11 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 11 D C 1.843 178.046 176.300 -0.162 0.000 0.966 11 D CA 1.079 55.049 54.000 -0.051 0.000 0.864 11 D CB -0.175 40.602 40.800 -0.039 0.000 0.933 11 D HN 0.516 nan 8.370 nan 0.000 0.499 12 M N -1.404 118.012 119.600 -0.306 0.000 2.429 12 M HA 0.050 4.530 4.480 -0.000 0.000 0.265 12 M C 0.550 176.335 176.300 -0.857 0.000 1.120 12 M CA 0.930 55.821 55.300 -0.682 0.000 1.173 12 M CB 0.430 32.405 32.600 -1.042 0.000 1.343 12 M HN -0.113 nan 8.290 nan 0.000 0.464 13 F N -0.140 119.642 119.950 -0.281 0.000 2.688 13 F HA 0.482 5.009 4.527 -0.000 0.000 0.310 13 F C 0.884 176.647 175.800 -0.063 0.000 1.098 13 F CA 0.054 57.922 58.000 -0.220 0.000 1.228 13 F CB 0.133 38.875 39.000 -0.430 0.000 1.042 13 F HN 0.208 nan 8.300 nan 0.000 0.557 14 G N 1.630 110.485 108.800 0.092 0.000 2.730 14 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.686 14 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.686 14 G C -2.920 172.113 174.900 0.222 0.000 1.343 14 G CA -1.356 43.826 45.100 0.136 0.000 0.826 14 G HN -0.031 nan 8.290 nan 0.000 0.582 15 P HA 0.362 nan 4.420 nan 0.000 0.268 15 P C 0.188 177.634 177.300 0.242 0.000 1.208 15 P CA 0.587 63.809 63.100 0.203 0.000 0.777 15 P CB 1.436 33.215 31.700 0.131 0.000 0.875 16 T N 0.200 114.887 114.554 0.223 0.000 2.807 16 T HA 0.284 4.634 4.350 -0.000 0.000 0.277 16 T C -0.362 174.410 174.700 0.120 0.000 1.006 16 T CA -0.802 61.417 62.100 0.197 0.000 1.006 16 T CB 0.659 69.638 68.868 0.186 0.000 1.274 16 T HN 0.113 nan 8.240 nan 0.000 0.569 17 V N 2.235 122.216 119.914 0.111 0.000 2.644 17 V HA 0.296 4.416 4.120 -0.000 0.000 0.303 17 V C 1.867 177.993 176.094 0.055 0.000 1.058 17 V CA 1.750 64.097 62.300 0.078 0.000 1.228 17 V CB -0.213 31.657 31.823 0.078 0.000 0.861 17 V HN 1.323 nan 8.190 nan 0.000 0.484 18 G N 3.706 112.534 108.800 0.047 0.000 2.258 18 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.233 18 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.233 18 G C -0.055 174.867 174.900 0.037 0.000 1.006 18 G CA 0.057 45.176 45.100 0.033 0.000 0.620 18 G HN 0.677 nan 8.290 nan 0.000 0.511 19 D N 1.446 121.880 120.400 0.056 0.000 2.341 19 D HA 0.559 5.199 4.640 -0.000 0.000 0.245 19 D C 0.593 176.947 176.300 0.090 0.000 1.106 19 D CA 0.333 54.376 54.000 0.072 0.000 0.905 19 D CB 1.077 41.933 40.800 0.093 0.000 1.202 19 D HN 0.423 nan 8.370 nan 0.000 0.426 20 K N 0.203 120.679 120.400 0.127 0.000 2.208 20 K HA 0.699 5.019 4.320 -0.000 0.000 0.247 20 K C -0.971 175.805 176.600 0.294 0.000 0.953 20 K CA -0.976 55.443 56.287 0.220 0.000 0.837 20 K CB 2.171 34.825 32.500 0.256 0.000 1.131 20 K HN 0.077 nan 8.250 nan 0.000 0.431 21 V N 1.994 122.043 119.914 0.226 0.000 2.623 21 V HA 0.341 4.461 4.120 -0.000 0.000 0.304 21 V C -0.609 175.282 176.094 -0.338 0.000 1.054 21 V CA -1.039 61.254 62.300 -0.012 0.000 0.882 21 V CB 1.610 33.383 31.823 -0.083 0.000 1.002 21 V HN 0.790 nan 8.190 nan 0.000 0.424 22 R N 5.281 125.271 120.500 -0.850 0.000 2.390 22 R HA 0.595 4.935 4.340 -0.000 0.000 0.291 22 R C -1.082 174.817 176.300 -0.668 0.000 1.070 22 R CA -0.581 54.776 56.100 -1.238 0.000 1.014 22 R CB 0.804 30.066 30.300 -1.730 0.000 1.007 22 R HN 0.670 nan 8.270 nan 0.000 0.466 23 L N 5.037 125.900 121.223 -0.599 0.000 2.325 23 L HA 0.283 4.623 4.340 -0.000 0.000 0.284 23 L C 1.092 177.768 176.870 -0.322 0.000 1.089 23 L CA 0.385 54.923 54.840 -0.503 0.000 0.836 23 L CB 0.504 42.175 42.059 -0.646 0.000 1.184 23 L HN 1.175 nan 8.230 nan 0.000 0.444 24 A N 4.159 126.843 122.820 -0.226 0.000 5.584 24 A HA -0.311 4.009 4.320 -0.000 0.000 0.303 24 A C 0.786 178.281 177.584 -0.148 0.000 1.923 24 A CA 1.403 53.349 52.037 -0.151 0.000 0.717 24 A CB -1.094 17.807 19.000 -0.165 0.000 1.281 24 A HN 0.972 nan 8.150 nan 0.000 0.379 25 D N 0.162 120.525 120.400 -0.061 0.000 2.491 25 D HA 0.340 4.980 4.640 -0.000 0.000 0.228 25 D C 0.725 176.953 176.300 -0.119 0.000 1.183 25 D CA 0.987 54.939 54.000 -0.081 0.000 0.827 25 D CB -1.060 39.726 40.800 -0.022 0.000 0.989 25 D HN 1.086 nan 8.370 nan 0.000 0.494 26 T N -2.817 111.646 114.554 -0.151 0.000 2.852 26 T HA 0.262 4.612 4.350 -0.000 0.000 0.281 26 T C 0.756 175.464 174.700 0.013 0.000 0.993 26 T CA -0.544 61.501 62.100 -0.091 0.000 0.933 26 T CB 1.620 70.464 68.868 -0.040 0.000 1.187 26 T HN -0.225 nan 8.240 nan 0.000 0.559 27 E N 0.091 120.455 120.200 0.273 0.000 2.444 27 E HA 0.292 4.642 4.350 -0.000 0.000 0.191 27 E C -0.134 176.551 176.600 0.140 0.000 1.041 27 E CA -0.108 56.408 56.400 0.194 0.000 0.883 27 E CB -0.190 29.620 29.700 0.183 0.000 1.024 27 E HN 0.538 nan 8.360 nan 0.000 0.470 28 L N 0.531 121.744 121.223 -0.016 0.000 2.305 28 L HA 0.300 4.640 4.340 -0.000 0.000 0.281 28 L C -0.458 176.279 176.870 -0.222 0.000 1.085 28 L CA -0.426 54.392 54.840 -0.038 0.000 0.813 28 L CB 0.590 42.602 42.059 -0.080 0.000 1.157 28 L HN -0.062 nan 8.230 nan 0.000 0.436 29 W N 4.651 125.904 121.300 -0.079 0.000 2.739 29 W HA 0.613 5.273 4.660 -0.000 0.000 0.331 29 W C -0.215 176.242 176.519 -0.103 0.000 1.049 29 W CA -0.443 56.847 57.345 -0.092 0.000 1.234 29 W CB 1.578 31.005 29.460 -0.054 0.000 1.404 29 W HN 0.235 nan 8.180 nan 0.000 0.477 30 I N -0.324 120.289 120.570 0.070 0.000 2.648 30 I HA 0.703 4.873 4.170 -0.000 0.000 0.304 30 I C -0.581 175.574 176.117 0.064 0.000 1.009 30 I CA -1.127 60.176 61.300 0.004 0.000 1.114 30 I CB 2.239 40.157 38.000 -0.137 0.000 1.293 30 I HN 0.421 nan 8.210 nan 0.000 0.449 31 E N 3.748 123.973 120.200 0.043 0.000 2.256 31 E HA 0.407 4.757 4.350 -0.000 0.000 0.268 31 E C -1.433 175.186 176.600 0.032 0.000 0.877 31 E CA -0.883 55.548 56.400 0.051 0.000 0.757 31 E CB 2.458 32.187 29.700 0.049 0.000 1.183 31 E HN 0.605 nan 8.360 nan 0.000 0.418 32 V N 5.066 125.004 119.914 0.041 0.000 2.458 32 V HA -0.060 4.060 4.120 -0.000 0.000 0.287 32 V C 0.966 177.087 176.094 0.046 0.000 1.009 32 V CA 0.816 63.141 62.300 0.043 0.000 1.091 32 V CB 0.515 32.378 31.823 0.067 0.000 0.960 32 V HN 0.837 nan 8.190 nan 0.000 0.476 33 E N 2.296 122.521 120.200 0.042 0.000 2.230 33 E HA 0.050 4.400 4.350 -0.000 0.000 0.192 33 E C 0.215 176.851 176.600 0.060 0.000 0.987 33 E CA 0.438 56.869 56.400 0.051 0.000 0.841 33 E CB 0.372 30.106 29.700 0.055 0.000 0.783 33 E HN 0.775 nan 8.360 nan 0.000 0.481 34 D N -0.736 119.703 120.400 0.066 0.000 2.648 34 D HA 0.146 4.786 4.640 -0.000 0.000 0.244 34 D C -2.054 174.286 176.300 0.067 0.000 1.244 34 D CA -0.569 53.470 54.000 0.066 0.000 0.772 34 D CB 1.851 42.700 40.800 0.080 0.000 1.379 34 D HN -0.201 nan 8.370 nan 0.000 0.428 35 D N 2.341 122.767 120.400 0.042 0.000 2.696 35 D HA 0.232 4.872 4.640 -0.000 0.000 0.251 35 D C 0.101 176.384 176.300 -0.029 0.000 1.188 35 D CA -0.411 53.606 54.000 0.028 0.000 0.876 35 D CB 1.577 42.396 40.800 0.031 0.000 1.334 35 D HN 0.143 nan 8.370 nan 0.000 0.540 36 L N 2.560 123.783 121.223 0.000 0.000 2.612 36 L HA 0.158 4.498 4.340 -0.000 0.000 0.230 36 L C 1.392 178.227 176.870 -0.058 0.000 1.140 36 L CA 0.493 55.324 54.840 -0.016 0.000 0.896 36 L CB -0.527 41.551 42.059 0.031 0.000 1.065 36 L HN 0.362 nan 8.230 nan 0.000 0.447 37 T N -1.090 113.398 114.554 -0.110 0.000 2.824 37 T HA 0.324 4.674 4.350 -0.000 0.000 0.277 37 T C 0.135 174.672 174.700 -0.271 0.000 0.975 37 T CA -0.216 61.798 62.100 -0.142 0.000 0.966 37 T CB 0.756 69.565 68.868 -0.099 0.000 1.054 37 T HN 0.066 nan 8.240 nan 0.000 0.533 38 T N 3.271 117.706 114.554 -0.198 0.000 2.809 38 T HA 0.359 4.709 4.350 -0.000 0.000 0.296 38 T C -1.064 173.567 174.700 -0.115 0.000 1.015 38 T CA -0.281 61.710 62.100 -0.183 0.000 0.954 38 T CB -0.149 68.674 68.868 -0.075 0.000 0.950 38 T HN 0.441 nan 8.240 nan 0.000 0.450 39 Y N 2.003 122.283 120.300 -0.034 0.000 2.865 39 Y HA 0.271 4.821 4.550 -0.000 0.000 0.338 39 Y C 1.690 177.569 175.900 -0.035 0.000 1.269 39 Y CA 1.166 59.240 58.100 -0.044 0.000 1.585 39 Y CB -0.385 38.035 38.460 -0.066 0.000 1.224 39 Y HN 1.012 nan 8.280 nan 0.000 0.554 40 G N 2.259 111.130 108.800 0.118 0.000 2.194 40 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.236 40 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.236 40 G C 0.694 175.607 174.900 0.022 0.000 0.987 40 G CA 0.091 45.224 45.100 0.056 0.000 0.635 40 G HN 0.513 nan 8.290 nan 0.000 0.520 41 E N 0.731 120.934 120.200 0.004 0.000 2.603 41 E HA 0.217 4.567 4.350 -0.000 0.000 0.211 41 E C 0.325 176.921 176.600 -0.006 0.000 0.995 41 E CA -0.013 56.390 56.400 0.005 0.000 0.990 41 E CB 0.497 30.201 29.700 0.006 0.000 1.036 41 E HN 0.685 nan 8.360 nan 0.000 0.475 42 E N 0.832 120.997 120.200 -0.058 0.000 2.415 42 E HA 0.065 4.415 4.350 -0.000 0.000 0.262 42 E C 0.216 176.858 176.600 0.069 0.000 1.038 42 E CA -0.090 56.285 56.400 -0.042 0.000 0.921 42 E CB 0.845 30.391 29.700 -0.257 0.000 0.950 42 E HN -0.079 nan 8.360 nan 0.000 0.438 43 V N -0.072 119.905 119.914 0.104 0.000 2.439 43 V HA 0.534 4.654 4.120 -0.000 0.000 0.282 43 V C -0.091 176.108 176.094 0.175 0.000 1.039 43 V CA -0.620 61.756 62.300 0.127 0.000 0.913 43 V CB 1.169 33.053 31.823 0.103 0.000 0.983 43 V HN 0.496 nan 8.190 nan 0.000 0.460 44 K N 3.630 124.136 120.400 0.176 0.000 2.464 44 K HA 0.556 4.876 4.320 -0.000 0.000 0.253 44 K C -1.832 174.867 176.600 0.165 0.000 0.933 44 K CA -0.665 55.725 56.287 0.171 0.000 0.801 44 K CB 2.638 35.228 32.500 0.150 0.000 1.271 44 K HN 0.757 nan 8.250 nan 0.000 0.430 45 F N 1.462 121.431 119.950 0.032 0.000 2.422 45 F HA 0.692 5.219 4.527 -0.000 0.000 0.333 45 F C 0.191 175.995 175.800 0.005 0.000 1.095 45 F CA 0.403 58.414 58.000 0.018 0.000 1.038 45 F CB 1.595 40.603 39.000 0.015 0.000 1.156 45 F HN 0.665 nan 8.300 nan 0.000 0.483 46 G N 2.530 110.671 108.800 -1.098 0.000 2.368 46 G HA2 0.360 4.320 3.960 -0.000 0.000 0.302 46 G HA3 0.360 4.320 3.960 -0.000 0.000 0.302 46 G C -0.874 173.717 174.900 -0.516 0.000 1.329 46 G CA -0.503 44.119 45.100 -0.796 0.000 0.935 46 G HN 1.034 nan 8.290 nan 0.000 0.590 47 G N -0.852 107.753 108.800 -0.324 0.000 2.334 47 G HA2 0.563 4.523 3.960 -0.000 0.000 0.261 47 G HA3 0.563 4.523 3.960 -0.000 0.000 0.261 47 G C 1.405 176.220 174.900 -0.141 0.000 1.257 47 G CA 1.760 46.741 45.100 -0.198 0.000 0.935 47 G HN 2.445 nan 8.290 nan 0.000 0.480 48 G N 1.796 110.530 108.800 -0.110 0.000 2.179 48 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 48 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 48 G C 0.872 175.737 174.900 -0.058 0.000 0.977 48 G CA 0.703 45.763 45.100 -0.068 0.000 0.641 48 G HN 0.730 nan 8.290 nan 0.000 0.533 49 K N -0.020 120.326 120.400 -0.091 0.000 2.525 49 K HA 0.539 4.859 4.320 -0.000 0.000 0.262 49 K C 1.967 178.561 176.600 -0.009 0.000 1.049 49 K CA 0.163 56.419 56.287 -0.052 0.000 0.961 49 K CB -0.174 32.273 32.500 -0.089 0.000 1.258 49 K HN 0.110 nan 8.250 nan 0.000 0.501 50 V N 0.599 120.535 119.914 0.036 0.000 2.407 50 V HA -0.089 4.031 4.120 -0.000 0.000 0.245 50 V C 1.459 177.594 176.094 0.068 0.000 1.041 50 V CA 1.148 63.484 62.300 0.059 0.000 1.040 50 V CB -0.368 31.506 31.823 0.085 0.000 0.671 50 V HN 0.467 nan 8.190 nan 0.000 0.455 51 I N 2.510 123.143 120.570 0.105 0.000 2.501 51 I HA 0.136 4.306 4.170 -0.000 0.000 0.305 51 I C 0.368 176.563 176.117 0.130 0.000 1.197 51 I CA 0.705 62.090 61.300 0.142 0.000 1.793 51 I CB -0.795 37.348 38.000 0.238 0.000 1.521 51 I HN 0.254 nan 8.210 nan 0.000 0.843 52 R N 2.406 122.951 120.500 0.075 0.000 2.740 52 R HA 0.252 4.592 4.340 -0.000 0.000 0.273 52 R C -0.848 175.478 176.300 0.042 0.000 0.998 52 R CA -1.182 54.951 56.100 0.055 0.000 0.900 52 R CB 1.841 32.156 30.300 0.025 0.000 1.223 52 R HN 0.248 nan 8.270 nan 0.000 0.466 53 D N 0.456 120.878 120.400 0.036 0.000 2.658 53 D HA 0.008 4.648 4.640 -0.000 0.000 0.230 53 D C 1.203 177.515 176.300 0.021 0.000 1.118 53 D CA 2.558 56.573 54.000 0.025 0.000 0.848 53 D CB 0.379 41.191 40.800 0.020 0.000 1.160 53 D HN 0.699 nan 8.370 nan 0.000 0.497 54 G N 2.642 111.454 108.800 0.019 0.000 2.234 54 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 54 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 54 G C 0.768 175.679 174.900 0.020 0.000 0.987 54 G CA 0.942 46.052 45.100 0.017 0.000 0.625 54 G HN 0.526 nan 8.290 nan 0.000 0.532 55 M N -0.911 118.704 119.600 0.025 0.000 2.276 55 M HA 0.476 4.956 4.480 -0.000 0.000 0.202 55 M C 2.381 178.701 176.300 0.034 0.000 1.530 55 M CA 0.828 56.145 55.300 0.028 0.000 1.810 55 M CB -0.286 32.331 32.600 0.029 0.000 1.057 55 M HN 0.123 nan 8.290 nan 0.000 0.864 56 G N 0.196 109.022 108.800 0.044 0.000 2.848 56 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.208 56 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.208 56 G C 0.282 175.210 174.900 0.047 0.000 1.152 56 G CA 0.119 45.249 45.100 0.050 0.000 0.789 56 G HN 0.455 nan 8.290 nan 0.000 0.531 57 Q N 0.118 119.943 119.800 0.042 0.000 2.330 57 Q HA 0.554 4.894 4.340 -0.000 0.000 0.269 57 Q C 0.254 176.267 176.000 0.022 0.000 1.022 57 Q CA -0.698 55.125 55.803 0.034 0.000 0.796 57 Q CB 1.650 30.414 28.738 0.043 0.000 1.271 57 Q HN 0.142 nan 8.270 nan 0.000 0.450 58 G N 1.323 110.132 108.800 0.014 0.000 2.510 58 G HA2 0.117 4.077 3.960 -0.000 0.000 0.280 58 G HA3 0.117 4.077 3.960 -0.000 0.000 0.280 58 G C 0.079 174.981 174.900 0.005 0.000 1.386 58 G CA -0.171 44.934 45.100 0.009 0.000 1.047 58 G HN 0.670 nan 8.290 nan 0.000 0.527 59 Q N -0.181 119.621 119.800 0.003 0.000 2.198 59 Q HA 0.108 4.448 4.340 -0.000 0.000 0.209 59 Q C 0.980 176.978 176.000 -0.003 0.000 0.848 59 Q CA -0.312 55.492 55.803 0.001 0.000 0.974 59 Q CB 0.294 29.034 28.738 0.003 0.000 1.115 59 Q HN 0.651 nan 8.270 nan 0.000 0.494 60 M N -0.574 119.022 119.600 -0.007 0.000 2.240 60 M HA 0.277 4.757 4.480 -0.000 0.000 0.333 60 M C 0.019 176.308 176.300 -0.017 0.000 1.110 60 M CA -0.070 55.224 55.300 -0.011 0.000 1.173 60 M CB 0.292 32.884 32.600 -0.013 0.000 1.458 60 M HN -0.096 nan 8.290 nan 0.000 0.458 61 L N 2.015 123.228 121.223 -0.017 0.000 2.479 61 L HA 0.286 4.626 4.340 -0.000 0.000 0.248 61 L C 1.931 178.782 176.870 -0.031 0.000 1.205 61 L CA -0.168 54.660 54.840 -0.020 0.000 0.817 61 L CB 0.194 42.245 42.059 -0.014 0.000 1.162 61 L HN 1.012 nan 8.230 nan 0.000 0.486 62 A N 1.104 123.904 122.820 -0.034 0.000 1.917 62 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 62 A C 2.245 179.797 177.584 -0.053 0.000 1.182 62 A CA 2.065 54.075 52.037 -0.046 0.000 0.633 62 A CB -0.899 18.077 19.000 -0.040 0.000 0.819 62 A HN 0.894 nan 8.150 nan 0.000 0.448 63 A N -0.818 121.982 122.820 -0.035 0.000 2.125 63 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 63 A C 1.299 178.862 177.584 -0.036 0.000 1.156 63 A CA 1.617 53.638 52.037 -0.027 0.000 0.671 63 A CB -0.277 18.719 19.000 -0.006 0.000 0.794 63 A HN 0.477 nan 8.150 nan 0.000 0.459 64 D N -1.066 119.309 120.400 -0.043 0.000 2.402 64 D HA 0.194 4.834 4.640 -0.000 0.000 0.216 64 D C 0.303 176.552 176.300 -0.086 0.000 1.128 64 D CA 0.583 54.558 54.000 -0.041 0.000 0.833 64 D CB -0.040 40.752 40.800 -0.014 0.000 0.971 64 D HN 0.613 nan 8.370 nan 0.000 0.503 65 C N -1.130 118.087 119.300 -0.138 0.000 3.236 65 C HA 0.783 5.243 4.460 -0.000 0.000 0.312 65 C C 0.367 175.188 174.990 -0.282 0.000 1.374 65 C CA -1.180 57.727 59.018 -0.185 0.000 1.455 65 C CB 1.094 28.770 27.740 -0.107 0.000 1.834 65 C HN 0.003 nan 8.230 nan 0.000 0.460 66 V N -0.083 119.637 119.914 -0.322 0.000 3.083 66 V HA 0.418 4.538 4.120 -0.000 0.000 0.306 66 V C 0.459 176.451 176.094 -0.169 0.000 1.077 66 V CA 0.392 62.495 62.300 -0.328 0.000 1.073 66 V CB 0.625 32.271 31.823 -0.295 0.000 1.081 66 V HN 0.909 nan 8.190 nan 0.000 0.474 67 D N 0.491 120.816 120.400 -0.125 0.000 2.183 67 D HA 0.182 4.822 4.640 -0.000 0.000 0.205 67 D C 0.217 176.477 176.300 -0.067 0.000 0.962 67 D CA 1.112 55.064 54.000 -0.081 0.000 0.849 67 D CB 0.538 41.304 40.800 -0.056 0.000 0.978 67 D HN 0.487 nan 8.370 nan 0.000 0.488 68 L N 0.182 121.374 121.223 -0.051 0.000 2.422 68 L HA 0.524 4.864 4.340 -0.000 0.000 0.264 68 L C -1.616 175.244 176.870 -0.017 0.000 0.984 68 L CA -0.887 53.931 54.840 -0.036 0.000 0.819 68 L CB 2.580 44.630 42.059 -0.015 0.000 1.330 68 L HN -0.273 nan 8.230 nan 0.000 0.410 69 V N 5.732 125.636 119.914 -0.016 0.000 2.577 69 V HA 0.583 4.703 4.120 -0.000 0.000 0.303 69 V C -1.301 174.807 176.094 0.024 0.000 1.042 69 V CA -0.451 61.858 62.300 0.014 0.000 0.872 69 V CB 1.969 33.800 31.823 0.013 0.000 0.998 69 V HN 0.721 nan 8.190 nan 0.000 0.423 70 L N 6.725 127.980 121.223 0.053 0.000 2.264 70 L HA 0.487 4.827 4.340 -0.000 0.000 0.287 70 L C 0.744 177.662 176.870 0.080 0.000 1.039 70 L CA 0.143 55.020 54.840 0.062 0.000 0.829 70 L CB 1.600 43.705 42.059 0.076 0.000 1.211 70 L HN 0.856 nan 8.230 nan 0.000 0.427 71 T N -0.271 114.331 114.554 0.080 0.000 2.907 71 T HA 0.201 4.551 4.350 -0.000 0.000 0.298 71 T C 0.684 175.454 174.700 0.117 0.000 1.017 71 T CA -0.664 61.497 62.100 0.102 0.000 1.118 71 T CB 0.426 69.362 68.868 0.113 0.000 0.948 71 T HN 0.603 nan 8.240 nan 0.000 0.531 72 N N 0.219 118.998 118.700 0.131 0.000 2.714 72 N HA -0.166 4.574 4.740 -0.000 0.000 0.252 72 N C 0.045 175.636 175.510 0.134 0.000 1.014 72 N CA 0.865 54.004 53.050 0.148 0.000 0.735 72 N CB -1.583 37.015 38.487 0.186 0.000 0.924 72 N HN 1.106 nan 8.380 nan 0.000 0.540 73 A N 0.157 123.052 122.820 0.125 0.000 2.340 73 A HA 0.546 4.866 4.320 -0.000 0.000 0.268 73 A C 0.423 178.076 177.584 0.115 0.000 1.100 73 A CA -0.517 51.593 52.037 0.121 0.000 0.803 73 A CB 0.798 19.871 19.000 0.123 0.000 1.043 73 A HN 0.324 nan 8.150 nan 0.000 0.488 74 L N 4.003 125.288 121.223 0.104 0.000 2.283 74 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 74 L C -0.594 176.308 176.870 0.052 0.000 1.033 74 L CA -0.163 54.720 54.840 0.071 0.000 0.848 74 L CB 0.004 42.095 42.059 0.053 0.000 1.226 74 L HN 0.563 nan 8.230 nan 0.000 0.429 75 I N 5.216 125.804 120.570 0.030 0.000 2.441 75 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 75 I C -0.409 175.623 176.117 -0.141 0.000 1.049 75 I CA -0.509 60.780 61.300 -0.019 0.000 1.381 75 I CB 1.304 39.295 38.000 -0.016 0.000 1.409 75 I HN 0.249 nan 8.210 nan 0.000 0.523 76 V N 5.746 125.589 119.914 -0.118 0.000 2.376 76 V HA 0.446 4.566 4.120 -0.000 0.000 0.287 76 V C -0.560 175.419 176.094 -0.190 0.000 1.015 76 V CA -0.321 61.877 62.300 -0.169 0.000 0.834 76 V CB 1.560 33.315 31.823 -0.113 0.000 1.001 76 V HN 0.693 nan 8.190 nan 0.000 0.428 77 D N 0.909 121.062 120.400 -0.412 0.000 2.626 77 D HA 0.286 4.926 4.640 -0.000 0.000 0.278 77 D C 0.755 176.818 176.300 -0.395 0.000 1.211 77 D CA -0.421 53.310 54.000 -0.448 0.000 0.903 77 D CB 1.502 41.794 40.800 -0.847 0.000 1.408 77 D HN 0.697 nan 8.370 nan 0.000 0.454 78 H N -0.187 118.813 119.070 -0.117 0.000 2.518 78 H HA -0.029 4.527 4.556 -0.000 0.000 0.289 78 H C 1.345 176.800 175.328 0.212 0.000 1.051 78 H CA 1.655 57.761 56.048 0.097 0.000 1.280 78 H CB -0.277 29.568 29.762 0.139 0.000 1.380 78 H HN 0.488 nan 8.280 nan 0.000 0.566 79 W N 0.077 121.221 121.300 -0.261 0.000 3.211 79 W HA 0.618 5.278 4.660 -0.000 0.000 0.292 79 W C -0.183 176.346 176.519 0.017 0.000 1.268 79 W CA 0.067 57.368 57.345 -0.074 0.000 1.702 79 W CB 0.277 29.602 29.460 -0.226 0.000 1.092 79 W HN 0.372 nan 8.180 nan 0.000 0.643 80 G N 1.047 109.598 108.800 -0.415 0.000 2.325 80 G HA2 0.407 4.367 3.960 -0.000 0.000 0.297 80 G HA3 0.407 4.367 3.960 -0.000 0.000 0.297 80 G C -2.064 172.563 174.900 -0.456 0.000 1.448 80 G CA -1.040 43.902 45.100 -0.263 0.000 0.838 80 G HN 0.053 nan 8.290 nan 0.000 0.579 81 I N 1.510 121.955 120.570 -0.209 0.000 2.563 81 I HA 0.444 4.614 4.170 -0.000 0.000 0.276 81 I C 0.097 176.171 176.117 -0.072 0.000 1.074 81 I CA -0.886 60.314 61.300 -0.167 0.000 1.124 81 I CB 1.398 39.334 38.000 -0.107 0.000 1.225 81 I HN 0.580 nan 8.210 nan 0.000 0.482 82 V N 1.959 121.836 119.914 -0.062 0.000 3.001 82 V HA 0.674 4.794 4.120 -0.000 0.000 0.314 82 V C -0.686 175.449 176.094 0.067 0.000 1.099 82 V CA -1.018 61.309 62.300 0.044 0.000 0.989 82 V CB 2.238 34.145 31.823 0.140 0.000 1.040 82 V HN 0.503 nan 8.190 nan 0.000 0.434 83 K N 1.851 122.306 120.400 0.092 0.000 2.213 83 K HA 0.910 5.230 4.320 -0.000 0.000 0.270 83 K C -0.445 176.222 176.600 0.112 0.000 1.002 83 K CA 0.671 57.023 56.287 0.107 0.000 0.868 83 K CB 1.065 33.640 32.500 0.125 0.000 1.093 83 K HN 1.654 nan 8.250 nan 0.000 0.454 84 A N 3.075 125.967 122.820 0.120 0.000 2.515 84 A HA 0.398 4.718 4.320 -0.000 0.000 0.292 84 A C -1.773 175.882 177.584 0.118 0.000 1.065 84 A CA -0.945 51.161 52.037 0.115 0.000 0.641 84 A CB 0.736 19.817 19.000 0.134 0.000 1.306 84 A HN 0.659 nan 8.150 nan 0.000 0.441 85 D N 0.384 120.849 120.400 0.108 0.000 2.193 85 D HA 0.620 5.260 4.640 -0.000 0.000 0.249 85 D C -0.614 175.758 176.300 0.120 0.000 1.034 85 D CA 0.291 54.356 54.000 0.108 0.000 0.902 85 D CB 1.452 42.308 40.800 0.094 0.000 1.182 85 D HN 0.434 nan 8.370 nan 0.000 0.436 86 I N 0.769 121.411 120.570 0.119 0.000 2.406 86 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 86 I C 0.663 176.856 176.117 0.126 0.000 0.999 86 I CA -0.763 60.617 61.300 0.132 0.000 1.124 86 I CB 2.084 40.165 38.000 0.135 0.000 1.289 86 I HN 0.197 nan 8.210 nan 0.000 0.441 87 G N 5.481 114.381 108.800 0.166 0.000 2.372 87 G HA2 0.609 4.569 3.960 -0.000 0.000 0.323 87 G HA3 0.609 4.569 3.960 -0.000 0.000 0.323 87 G C -0.977 174.037 174.900 0.191 0.000 1.152 87 G CA -0.346 44.855 45.100 0.168 0.000 0.906 87 G HN 0.334 nan 8.290 nan 0.000 0.460 88 V N 2.227 122.203 119.914 0.103 0.000 2.448 88 V HA 0.614 4.734 4.120 -0.000 0.000 0.295 88 V C -0.055 176.066 176.094 0.045 0.000 1.025 88 V CA -0.777 61.586 62.300 0.105 0.000 0.859 88 V CB 1.751 33.618 31.823 0.075 0.000 0.988 88 V HN 0.787 nan 8.190 nan 0.000 0.431 89 K N 2.965 123.417 120.400 0.087 0.000 2.513 89 K HA 0.408 4.728 4.320 -0.000 0.000 0.251 89 K C -0.740 175.907 176.600 0.078 0.000 0.939 89 K CA -0.503 55.800 56.287 0.026 0.000 0.793 89 K CB 1.403 33.876 32.500 -0.045 0.000 1.241 89 K HN 0.667 nan 8.250 nan 0.000 0.431 90 D N 2.925 123.357 120.400 0.053 0.000 2.837 90 D HA -0.185 4.455 4.640 -0.000 0.000 0.230 90 D C 0.601 176.958 176.300 0.096 0.000 1.152 90 D CA 1.894 55.941 54.000 0.079 0.000 0.736 90 D CB -1.176 39.674 40.800 0.083 0.000 1.084 90 D HN 1.093 nan 8.370 nan 0.000 0.429 91 G N -0.626 108.227 108.800 0.088 0.000 2.162 91 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 91 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 91 G C 0.331 175.283 174.900 0.086 0.000 0.976 91 G CA 0.674 45.829 45.100 0.091 0.000 0.655 91 G HN 0.546 nan 8.290 nan 0.000 0.533 92 R N -0.864 119.695 120.500 0.098 0.000 2.807 92 R HA 0.622 4.962 4.340 -0.000 0.000 0.276 92 R C 0.125 176.505 176.300 0.133 0.000 0.979 92 R CA -1.198 54.965 56.100 0.105 0.000 0.928 92 R CB 1.441 31.798 30.300 0.096 0.000 1.191 92 R HN 0.161 nan 8.270 nan 0.000 0.471 93 I N 2.721 123.364 120.570 0.122 0.000 2.581 93 I HA -0.103 4.067 4.170 -0.000 0.000 0.285 93 I C 0.982 177.187 176.117 0.147 0.000 1.129 93 I CA 0.407 61.788 61.300 0.135 0.000 1.397 93 I CB 0.172 38.239 38.000 0.111 0.000 1.399 93 I HN 0.618 nan 8.210 nan 0.000 0.537 94 F N 7.091 127.063 119.950 0.037 0.000 2.188 94 F HA 0.395 4.922 4.527 -0.000 0.000 0.289 94 F C 1.040 176.851 175.800 0.019 0.000 1.082 94 F CA 0.809 58.825 58.000 0.026 0.000 1.282 94 F CB 0.303 39.318 39.000 0.025 0.000 1.060 94 F HN 0.460 nan 8.300 nan 0.000 0.493 95 A N -0.277 122.610 122.820 0.112 0.000 2.586 95 A HA 0.634 4.954 4.320 -0.000 0.000 0.290 95 A C -1.629 176.007 177.584 0.086 0.000 1.086 95 A CA -0.593 51.438 52.037 -0.010 0.000 0.665 95 A CB 0.664 19.664 19.000 -0.000 0.000 1.279 95 A HN 0.102 nan 8.150 nan 0.000 0.423 96 I N 1.169 121.763 120.570 0.040 0.000 2.493 96 I HA 0.600 4.770 4.170 -0.000 0.000 0.279 96 I C 0.556 176.708 176.117 0.060 0.000 1.045 96 I CA 0.134 61.482 61.300 0.079 0.000 1.106 96 I CB 1.508 39.553 38.000 0.075 0.000 1.216 96 I HN 1.038 nan 8.210 nan 0.000 0.459 97 G N 5.030 113.878 108.800 0.080 0.000 2.929 97 G HA2 0.274 4.234 3.960 -0.000 0.000 0.123 97 G HA3 0.274 4.234 3.960 -0.000 0.000 0.123 97 G C -1.435 173.502 174.900 0.061 0.000 1.212 97 G CA -0.286 44.850 45.100 0.059 0.000 1.238 97 G HN 0.232 nan 8.290 nan 0.000 0.617 98 K N 1.161 121.593 120.400 0.052 0.000 2.483 98 K HA 0.701 5.021 4.320 -0.000 0.000 0.256 98 K C -0.350 176.284 176.600 0.056 0.000 0.961 98 K CA -0.354 55.959 56.287 0.043 0.000 0.873 98 K CB 1.074 33.585 32.500 0.018 0.000 1.107 98 K HN 0.714 nan 8.250 nan 0.000 0.432 99 A N 2.457 125.314 122.820 0.062 0.000 2.302 99 A HA 0.825 5.145 4.320 -0.000 0.000 0.285 99 A C 0.387 178.001 177.584 0.051 0.000 1.105 99 A CA 0.463 52.537 52.037 0.061 0.000 0.816 99 A CB 0.747 19.786 19.000 0.064 0.000 1.067 99 A HN 0.900 nan 8.150 nan 0.000 0.489 100 G N 0.198 109.025 108.800 0.044 0.000 2.368 100 G HA2 0.310 4.270 3.960 -0.000 0.000 0.269 100 G HA3 0.310 4.270 3.960 -0.000 0.000 0.269 100 G C -1.579 173.340 174.900 0.032 0.000 1.291 100 G CA -0.283 44.841 45.100 0.040 0.000 0.903 100 G HN 1.053 nan 8.290 nan 0.000 0.483 101 N N 0.701 119.419 118.700 0.030 0.000 2.443 101 N HA 0.616 5.356 4.740 -0.000 0.000 0.269 101 N C -1.765 173.759 175.510 0.023 0.000 0.985 101 N CA -2.283 50.781 53.050 0.024 0.000 0.921 101 N CB 2.605 41.106 38.487 0.024 0.000 1.195 101 N HN 0.014 nan 8.380 nan 0.000 0.492 102 P HA -0.021 nan 4.420 nan 0.000 0.222 102 P C 0.316 177.627 177.300 0.018 0.000 1.147 102 P CA 0.768 63.880 63.100 0.021 0.000 0.790 102 P CB 0.467 32.180 31.700 0.022 0.000 0.780 103 D N -0.448 119.962 120.400 0.017 0.000 2.117 103 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 103 D C 1.557 177.867 176.300 0.015 0.000 0.987 103 D CA 1.362 55.371 54.000 0.015 0.000 0.829 103 D CB -0.194 40.615 40.800 0.014 0.000 0.961 103 D HN 0.333 nan 8.370 nan 0.000 0.460 104 I N -3.402 117.179 120.570 0.017 0.000 4.338 104 I HA 0.260 4.430 4.170 -0.000 0.000 0.329 104 I C 0.001 176.129 176.117 0.019 0.000 1.378 104 I CA -0.337 60.974 61.300 0.018 0.000 1.170 104 I CB 0.377 38.388 38.000 0.019 0.000 1.206 104 I HN -0.304 nan 8.210 nan 0.000 0.432 105 Q N 3.001 122.813 119.800 0.020 0.000 2.348 105 Q HA 0.576 4.915 4.340 -0.000 0.000 0.271 105 Q C -2.578 173.432 176.000 0.017 0.000 1.067 105 Q CA -2.009 53.806 55.803 0.020 0.000 0.839 105 Q CB 2.361 31.113 28.738 0.023 0.000 1.354 105 Q HN 0.084 nan 8.270 nan 0.000 0.447 106 P HA 0.159 nan 4.420 nan 0.000 0.282 106 P C -1.039 176.265 177.300 0.007 0.000 1.259 106 P CA -0.255 62.851 63.100 0.009 0.000 0.826 106 P CB 0.632 32.335 31.700 0.006 0.000 1.064 107 N N -1.814 116.890 118.700 0.006 0.000 2.708 107 N HA -0.133 4.607 4.740 -0.000 0.000 0.249 107 N C -0.379 175.139 175.510 0.014 0.000 1.097 107 N CA 0.178 53.231 53.050 0.005 0.000 0.710 107 N CB -1.658 36.824 38.487 -0.008 0.000 1.032 107 N HN 0.157 nan 8.380 nan 0.000 0.551 108 V N 0.857 120.784 119.914 0.022 0.000 2.470 108 V HA 0.154 4.274 4.120 -0.000 0.000 0.276 108 V C 1.651 177.773 176.094 0.047 0.000 1.040 108 V CA 0.954 63.275 62.300 0.034 0.000 1.008 108 V CB 1.207 33.050 31.823 0.035 0.000 0.990 108 V HN 0.509 nan 8.190 nan 0.000 0.477 109 T N 1.644 116.236 114.554 0.063 0.000 2.975 109 T HA 0.397 4.747 4.350 -0.000 0.000 0.257 109 T C 0.269 175.065 174.700 0.160 0.000 1.003 109 T CA 0.167 62.320 62.100 0.087 0.000 0.932 109 T CB 0.093 68.996 68.868 0.058 0.000 1.087 109 T HN 0.352 nan 8.240 nan 0.000 0.512 110 I N 3.763 124.415 120.570 0.137 0.000 2.537 110 I HA 0.357 4.527 4.170 -0.000 0.000 0.276 110 I C -2.731 173.423 176.117 0.062 0.000 1.063 110 I CA -2.648 58.744 61.300 0.154 0.000 1.144 110 I CB 2.073 40.163 38.000 0.149 0.000 1.252 110 I HN -0.061 nan 8.210 nan 0.000 0.480 111 P HA 0.219 nan 4.420 nan 0.000 0.271 111 P C -0.518 176.759 177.300 -0.037 0.000 1.220 111 P CA 0.195 63.291 63.100 -0.005 0.000 0.768 111 P CB 1.280 32.973 31.700 -0.013 0.000 0.848 112 I N 2.721 123.283 120.570 -0.014 0.000 2.354 112 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 112 I C 1.080 177.187 176.117 -0.016 0.000 0.989 112 I CA -0.134 61.155 61.300 -0.017 0.000 1.188 112 I CB 1.797 39.803 38.000 0.010 0.000 1.342 112 I HN 0.431 nan 8.210 nan 0.000 0.457 113 G N 2.914 111.696 108.800 -0.030 0.000 3.176 113 G HA2 0.548 4.508 3.960 -0.000 0.000 0.272 113 G HA3 0.548 4.508 3.960 -0.000 0.000 0.272 113 G C 0.589 175.476 174.900 -0.022 0.000 1.349 113 G CA 0.058 45.144 45.100 -0.023 0.000 0.953 113 G HN 0.608 nan 8.290 nan 0.000 0.559 114 A N -0.715 122.094 122.820 -0.019 0.000 1.940 114 A HA 0.218 4.538 4.320 -0.000 0.000 0.219 114 A C 2.357 179.922 177.584 -0.031 0.000 1.176 114 A CA 2.626 54.653 52.037 -0.018 0.000 0.631 114 A CB -0.674 18.317 19.000 -0.015 0.000 0.814 114 A HN 1.516 nan 8.150 nan 0.000 0.446 115 A N -0.847 121.949 122.820 -0.041 0.000 2.278 115 A HA 0.351 4.671 4.320 -0.000 0.000 0.212 115 A C 0.733 178.278 177.584 -0.064 0.000 1.213 115 A CA 0.556 52.562 52.037 -0.053 0.000 0.840 115 A CB -0.522 18.445 19.000 -0.054 0.000 0.866 115 A HN 0.284 nan 8.150 nan 0.000 0.489 116 T N 0.930 115.447 114.554 -0.063 0.000 2.767 116 T HA 0.417 4.767 4.350 -0.000 0.000 0.288 116 T C -0.256 174.391 174.700 -0.089 0.000 0.963 116 T CA -0.306 61.750 62.100 -0.073 0.000 1.019 116 T CB 1.449 70.279 68.868 -0.062 0.000 0.923 116 T HN 0.458 nan 8.240 nan 0.000 0.468 117 E N 2.432 122.572 120.200 -0.100 0.000 2.283 117 E HA 0.510 4.859 4.350 -0.000 0.000 0.271 117 E C -1.171 175.338 176.600 -0.151 0.000 1.031 117 E CA -0.631 55.686 56.400 -0.138 0.000 0.868 117 E CB 0.897 30.527 29.700 -0.116 0.000 1.094 117 E HN 0.314 nan 8.360 nan 0.000 0.401 118 V N 4.855 124.624 119.914 -0.242 0.000 2.604 118 V HA 0.455 4.575 4.120 -0.000 0.000 0.305 118 V C -0.232 175.749 176.094 -0.188 0.000 1.043 118 V CA -0.678 61.489 62.300 -0.222 0.000 0.888 118 V CB 1.556 33.179 31.823 -0.333 0.000 0.995 118 V HN 0.672 nan 8.190 nan 0.000 0.429 119 I N 3.531 124.052 120.570 -0.082 0.000 2.410 119 I HA 0.572 4.742 4.170 -0.000 0.000 0.286 119 I C 0.337 176.459 176.117 0.009 0.000 1.009 119 I CA -0.654 60.623 61.300 -0.038 0.000 1.111 119 I CB 1.871 39.863 38.000 -0.014 0.000 1.262 119 I HN 0.706 nan 8.210 nan 0.000 0.443 120 A N 5.070 127.908 122.820 0.030 0.000 2.376 120 A HA 0.595 4.915 4.320 -0.000 0.000 0.298 120 A C 0.771 178.393 177.584 0.064 0.000 1.271 120 A CA -0.112 51.966 52.037 0.068 0.000 0.926 120 A CB 0.377 19.432 19.000 0.092 0.000 1.141 120 A HN 0.886 nan 8.150 nan 0.000 0.539 121 A N 2.857 125.724 122.820 0.077 0.000 2.430 121 A HA 0.263 4.583 4.320 -0.000 0.000 0.243 121 A C 0.719 178.359 177.584 0.094 0.000 1.254 121 A CA -0.222 51.866 52.037 0.085 0.000 0.914 121 A CB -0.134 18.922 19.000 0.093 0.000 0.998 121 A HN 0.818 nan 8.150 nan 0.000 0.515 122 E N 0.144 120.399 120.200 0.091 0.000 2.480 122 E HA 0.260 4.610 4.350 -0.000 0.000 0.258 122 E C 0.834 177.476 176.600 0.071 0.000 0.984 122 E CA 0.589 57.044 56.400 0.090 0.000 0.930 122 E CB 0.022 29.764 29.700 0.070 0.000 0.936 122 E HN 0.954 nan 8.360 nan 0.000 0.466 123 G N 2.692 111.541 108.800 0.082 0.000 2.159 123 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.256 123 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.256 123 G C -0.060 174.894 174.900 0.090 0.000 0.977 123 G CA 0.389 45.533 45.100 0.073 0.000 0.652 123 G HN 0.481 nan 8.290 nan 0.000 0.531 124 K N -0.278 120.186 120.400 0.106 0.000 2.340 124 K HA 0.749 5.069 4.320 -0.000 0.000 0.244 124 K C -0.017 176.674 176.600 0.150 0.000 0.973 124 K CA -0.897 55.474 56.287 0.139 0.000 0.828 124 K CB 1.998 34.580 32.500 0.136 0.000 1.226 124 K HN 0.194 nan 8.250 nan 0.000 0.437 125 I N 1.517 122.219 120.570 0.220 0.000 2.377 125 I HA 0.277 4.447 4.170 -0.000 0.000 0.293 125 I C -0.430 175.906 176.117 0.365 0.000 0.987 125 I CA -1.113 60.325 61.300 0.230 0.000 1.185 125 I CB 1.789 39.899 38.000 0.184 0.000 1.341 125 I HN -0.002 nan 8.210 nan 0.000 0.455 126 V N 4.738 124.817 119.914 0.274 0.000 2.495 126 V HA 0.616 4.736 4.120 -0.000 0.000 0.298 126 V C 0.111 176.388 176.094 0.304 0.000 1.031 126 V CA -0.368 62.099 62.300 0.279 0.000 0.871 126 V CB 1.928 33.860 31.823 0.181 0.000 0.988 126 V HN 0.907 nan 8.190 nan 0.000 0.432 127 T N 1.480 116.265 114.554 0.385 0.000 2.883 127 T HA 0.859 5.209 4.350 -0.000 0.000 0.296 127 T C -0.108 174.777 174.700 0.309 0.000 1.117 127 T CA -0.261 62.062 62.100 0.373 0.000 1.006 127 T CB 1.912 71.123 68.868 0.571 0.000 1.191 127 T HN 1.036 nan 8.240 nan 0.000 0.508 128 A N 0.483 123.465 122.820 0.270 0.000 2.366 128 A HA 0.683 5.003 4.320 -0.000 0.000 0.250 128 A C 0.965 178.710 177.584 0.268 0.000 1.099 128 A CA -0.101 52.079 52.037 0.238 0.000 0.794 128 A CB -0.728 18.403 19.000 0.218 0.000 1.056 128 A HN 1.421 nan 8.150 nan 0.000 0.499 129 G N -0.585 108.346 108.800 0.220 0.000 2.432 129 G HA2 0.487 4.447 3.960 -0.000 0.000 0.257 129 G HA3 0.487 4.447 3.960 -0.000 0.000 0.257 129 G C 0.499 175.559 174.900 0.267 0.000 1.238 129 G CA 0.177 45.408 45.100 0.219 0.000 0.838 129 G HN 1.130 nan 8.290 nan 0.000 0.547 130 G N -0.441 108.548 108.800 0.315 0.000 2.594 130 G HA2 0.450 4.410 3.960 -0.000 0.000 0.243 130 G HA3 0.450 4.410 3.960 -0.000 0.000 0.243 130 G C -0.278 174.769 174.900 0.244 0.000 1.229 130 G CA -0.494 44.834 45.100 0.379 0.000 0.843 130 G HN 0.637 nan 8.290 nan 0.000 0.578 131 I N 1.083 121.794 120.570 0.236 0.000 2.476 131 I HA 0.162 4.332 4.170 -0.000 0.000 0.281 131 I C -1.264 174.932 176.117 0.131 0.000 1.040 131 I CA -0.707 60.688 61.300 0.158 0.000 1.094 131 I CB 2.047 40.126 38.000 0.132 0.000 1.219 131 I HN 0.307 nan 8.210 nan 0.000 0.450 132 D N 4.588 125.040 120.400 0.086 0.000 2.329 132 D HA 0.200 4.840 4.640 -0.000 0.000 0.232 132 D C 0.878 177.194 176.300 0.026 0.000 1.088 132 D CA -0.182 53.847 54.000 0.050 0.000 0.835 132 D CB 1.486 42.285 40.800 -0.001 0.000 1.078 132 D HN 0.597 nan 8.370 nan 0.000 0.495 133 T N 0.394 114.987 114.554 0.065 0.000 3.223 133 T HA 0.125 4.475 4.350 -0.000 0.000 0.259 133 T C 0.506 175.248 174.700 0.070 0.000 1.015 133 T CA -0.182 61.945 62.100 0.044 0.000 0.908 133 T CB -0.502 68.444 68.868 0.131 0.000 1.054 133 T HN 0.501 nan 8.240 nan 0.000 0.567 134 H N 0.558 119.524 119.070 -0.173 0.000 2.511 134 H HA 0.443 4.999 4.556 -0.000 0.000 0.228 134 H C -0.911 174.238 175.328 -0.298 0.000 1.424 134 H CA -0.915 54.877 56.048 -0.427 0.000 1.321 134 H CB -0.055 29.270 29.762 -0.728 0.000 1.720 134 H HN 0.196 nan 8.280 nan 0.000 0.512 135 I N 2.189 122.673 120.570 -0.143 0.000 2.353 135 I HA 0.156 4.326 4.170 -0.000 0.000 0.293 135 I C 0.227 176.122 176.117 -0.370 0.000 0.992 135 I CA -0.315 60.789 61.300 -0.326 0.000 1.268 135 I CB 1.178 38.760 38.000 -0.696 0.000 1.387 135 I HN 0.566 nan 8.210 nan 0.000 0.478 136 H N 5.382 124.275 119.070 -0.296 0.000 2.581 136 H HA 0.138 4.694 4.556 -0.000 0.000 0.308 136 H C -0.817 174.409 175.328 -0.170 0.000 1.040 136 H CA -0.363 55.602 56.048 -0.139 0.000 1.231 136 H CB 0.751 30.502 29.762 -0.018 0.000 1.396 136 H HN 0.557 nan 8.280 nan 0.000 0.467 137 W N 5.510 126.885 121.300 0.125 0.000 1.564 137 W HA 0.135 4.795 4.660 -0.000 0.000 0.480 137 W C 1.008 177.577 176.519 0.084 0.000 0.699 137 W CA -0.277 57.120 57.345 0.086 0.000 1.985 137 W CB -0.239 29.252 29.460 0.052 0.000 1.738 137 W HN 0.633 nan 8.180 nan 0.000 0.218 138 I N 1.313 122.047 120.570 0.274 0.000 2.584 138 I HA -0.048 4.122 4.170 -0.000 0.000 0.255 138 I C 1.001 177.233 176.117 0.192 0.000 1.145 138 I CA 0.592 62.018 61.300 0.211 0.000 1.462 138 I CB -0.070 38.052 38.000 0.203 0.000 1.102 138 I HN 0.246 nan 8.210 nan 0.000 0.433 139 C N -2.192 117.240 119.300 0.220 0.000 3.171 139 C HA 0.361 4.821 4.460 -0.000 0.000 0.336 139 C C -1.980 173.150 174.990 0.234 0.000 1.198 139 C CA -1.313 57.814 59.018 0.181 0.000 1.319 139 C CB 1.220 29.035 27.740 0.125 0.000 1.682 139 C HN -0.056 nan 8.230 nan 0.000 0.497 140 P HA -0.080 nan 4.420 nan 0.000 0.223 140 P C 1.050 178.449 177.300 0.164 0.000 1.151 140 P CA 1.549 64.748 63.100 0.166 0.000 0.787 140 P CB 0.229 31.972 31.700 0.072 0.000 0.788 141 Q N 0.043 119.917 119.800 0.124 0.000 2.364 141 Q HA -0.113 4.227 4.340 -0.000 0.000 0.209 141 Q C 2.333 178.392 176.000 0.097 0.000 0.977 141 Q CA 1.172 57.030 55.803 0.092 0.000 0.885 141 Q CB -0.802 27.974 28.738 0.063 0.000 0.941 141 Q HN 0.447 nan 8.270 nan 0.000 0.464 142 Q N -0.668 119.213 119.800 0.134 0.000 2.226 142 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 142 Q C 1.925 177.993 176.000 0.114 0.000 0.975 142 Q CA 1.079 56.941 55.803 0.098 0.000 0.866 142 Q CB -0.121 28.664 28.738 0.078 0.000 0.915 142 Q HN 0.487 nan 8.270 nan 0.000 0.440 143 A N 1.230 124.172 122.820 0.203 0.000 1.877 143 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 143 A C 1.897 179.543 177.584 0.103 0.000 1.186 143 A CA 1.621 53.775 52.037 0.196 0.000 0.620 143 A CB -0.530 18.612 19.000 0.236 0.000 0.822 143 A HN 0.422 nan 8.150 nan 0.000 0.443 144 E N -0.587 119.661 120.200 0.079 0.000 2.110 144 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 144 E C 1.943 178.550 176.600 0.012 0.000 0.988 144 E CA 1.438 57.864 56.400 0.043 0.000 0.804 144 E CB -0.097 29.629 29.700 0.043 0.000 0.745 144 E HN 0.584 nan 8.360 nan 0.000 0.458 145 E N 0.337 120.546 120.200 0.014 0.000 2.038 145 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 145 E C 1.783 178.364 176.600 -0.031 0.000 1.000 145 E CA 1.622 58.013 56.400 -0.015 0.000 0.803 145 E CB -0.344 29.351 29.700 -0.009 0.000 0.750 145 E HN 0.362 nan 8.360 nan 0.000 0.448 146 A N 0.174 122.989 122.820 -0.008 0.000 1.902 146 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 146 A C 2.192 179.771 177.584 -0.007 0.000 1.181 146 A CA 1.462 53.493 52.037 -0.009 0.000 0.623 146 A CB -0.797 18.209 19.000 0.009 0.000 0.818 146 A HN 0.355 nan 8.150 nan 0.000 0.443 147 L N -0.036 121.190 121.223 0.005 0.000 2.042 147 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 147 L C 2.389 179.218 176.870 -0.068 0.000 1.076 147 L CA 1.827 56.665 54.840 -0.003 0.000 0.749 147 L CB -0.470 41.601 42.059 0.019 0.000 0.893 147 L HN 0.162 nan 8.230 nan 0.000 0.432 148 V N -0.476 119.362 119.914 -0.127 0.000 2.594 148 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 148 V C 2.626 178.543 176.094 -0.296 0.000 1.069 148 V CA 1.623 63.732 62.300 -0.318 0.000 1.082 148 V CB -0.839 30.715 31.823 -0.448 0.000 0.680 148 V HN 0.759 nan 8.190 nan 0.000 0.469 149 S N -0.316 115.303 115.700 -0.135 0.000 2.489 149 S HA 0.214 4.684 4.470 -0.000 0.000 0.228 149 S C 1.573 176.204 174.600 0.051 0.000 0.995 149 S CA 0.918 59.099 58.200 -0.032 0.000 0.934 149 S CB 0.590 63.780 63.200 -0.016 0.000 0.771 149 S HN 1.153 nan 8.310 nan 0.000 0.522 150 G N -0.174 108.620 108.800 -0.011 0.000 2.159 150 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.170 150 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.170 150 G C -0.216 174.749 174.900 0.108 0.000 1.007 150 G CA -0.204 44.916 45.100 0.033 0.000 0.672 150 G HN 0.601 nan 8.290 nan 0.000 0.507 151 V N 2.243 122.199 119.914 0.069 0.000 2.350 151 V HA 0.524 4.644 4.120 -0.000 0.000 0.276 151 V C 1.506 177.657 176.094 0.096 0.000 1.028 151 V CA 0.655 63.012 62.300 0.095 0.000 0.860 151 V CB 1.175 33.032 31.823 0.056 0.000 0.990 151 V HN 0.598 nan 8.190 nan 0.000 0.453 152 T N 0.087 114.715 114.554 0.124 0.000 3.044 152 T HA 0.117 4.467 4.350 -0.000 0.000 0.250 152 T C 0.665 175.456 174.700 0.151 0.000 1.081 152 T CA 0.068 62.241 62.100 0.122 0.000 1.040 152 T CB 0.190 69.129 68.868 0.119 0.000 0.962 152 T HN 0.534 nan 8.240 nan 0.000 0.506 153 T N 2.219 116.872 114.554 0.166 0.000 2.861 153 T HA 0.692 5.042 4.350 -0.000 0.000 0.287 153 T C -0.977 173.827 174.700 0.173 0.000 1.003 153 T CA -0.618 61.604 62.100 0.204 0.000 0.977 153 T CB 1.826 70.826 68.868 0.219 0.000 0.996 153 T HN 0.193 nan 8.240 nan 0.000 0.448 154 M N 2.941 122.673 119.600 0.219 0.000 2.204 154 M HA 0.557 5.037 4.480 -0.000 0.000 0.293 154 M C -1.251 175.179 176.300 0.216 0.000 0.994 154 M CA -0.865 54.536 55.300 0.169 0.000 0.925 154 M CB 2.363 35.077 32.600 0.189 0.000 1.577 154 M HN 0.242 nan 8.290 nan 0.000 0.439 155 V N 2.339 122.293 119.914 0.068 0.000 2.540 155 V HA 1.012 5.131 4.120 -0.000 0.000 0.302 155 V C 0.186 176.269 176.094 -0.019 0.000 1.035 155 V CA -0.200 62.128 62.300 0.046 0.000 0.873 155 V CB 1.683 33.420 31.823 -0.144 0.000 0.992 155 V HN 1.078 nan 8.190 nan 0.000 0.428 156 G N 2.858 111.704 108.800 0.077 0.000 2.348 156 G HA2 0.677 4.637 3.960 -0.000 0.000 0.296 156 G HA3 0.677 4.637 3.960 -0.000 0.000 0.296 156 G C -0.642 174.355 174.900 0.162 0.000 1.258 156 G CA 0.132 45.215 45.100 -0.028 0.000 0.868 156 G HN 1.126 nan 8.290 nan 0.000 0.488 157 G N -2.030 106.834 108.800 0.106 0.000 2.692 157 G HA2 0.989 4.949 3.960 -0.000 0.000 0.291 157 G HA3 0.989 4.949 3.960 -0.000 0.000 0.291 157 G C -0.281 174.785 174.900 0.278 0.000 1.423 157 G CA 0.301 45.562 45.100 0.267 0.000 0.843 157 G HN 2.213 nan 8.290 nan 0.000 0.486 158 G N -1.662 107.312 108.800 0.289 0.000 2.339 158 G HA2 0.531 4.491 3.960 -0.000 0.000 0.302 158 G HA3 0.531 4.491 3.960 -0.000 0.000 0.302 158 G C 0.086 175.062 174.900 0.127 0.000 1.425 158 G CA 0.945 46.174 45.100 0.215 0.000 0.899 158 G HN 1.670 nan 8.290 nan 0.000 0.619 159 T N -2.801 111.759 114.554 0.011 0.000 3.087 159 T HA 0.638 4.988 4.350 -0.000 0.000 0.283 159 T C 1.217 175.912 174.700 -0.008 0.000 0.956 159 T CA 1.135 63.183 62.100 -0.087 0.000 0.894 159 T CB 0.494 69.051 68.868 -0.518 0.000 1.160 159 T HN 2.697 nan 8.240 nan 0.000 0.532 160 G N 2.402 111.231 108.800 0.047 0.000 2.298 160 G HA2 0.158 4.118 3.960 -0.000 0.000 0.309 160 G HA3 0.158 4.118 3.960 -0.000 0.000 0.309 160 G C -3.000 171.897 174.900 -0.005 0.000 1.279 160 G CA -0.502 44.633 45.100 0.059 0.000 1.042 160 G HN 0.078 nan 8.290 nan 0.000 0.480 161 P HA 0.490 nan 4.420 nan 0.000 0.237 161 P C -0.112 177.007 177.300 -0.302 0.000 1.788 161 P CA 0.983 64.034 63.100 -0.082 0.000 1.061 161 P CB 0.184 31.963 31.700 0.132 0.000 1.967 162 A N 1.618 124.153 122.820 -0.475 0.000 2.380 162 A HA 0.651 4.971 4.320 -0.000 0.000 0.315 162 A C 1.496 178.829 177.584 -0.418 0.000 1.101 162 A CA -0.234 51.611 52.037 -0.321 0.000 0.771 162 A CB 1.325 20.230 19.000 -0.158 0.000 1.287 162 A HN 0.229 nan 8.150 nan 0.000 0.436 163 A N 1.501 124.222 122.820 -0.166 0.000 1.903 163 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 163 A C 2.183 179.804 177.584 0.061 0.000 1.191 163 A CA 2.880 54.891 52.037 -0.043 0.000 0.638 163 A CB -1.325 17.517 19.000 -0.263 0.000 0.823 163 A HN 1.695 nan 8.150 nan 0.000 0.451 164 G N -1.703 107.101 108.800 0.006 0.000 2.440 164 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 164 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 164 G C 1.549 176.529 174.900 0.133 0.000 1.154 164 G CA 1.676 46.834 45.100 0.097 0.000 0.767 164 G HN 0.469 nan 8.290 nan 0.000 0.552 165 T N -0.049 114.552 114.554 0.079 0.000 2.942 165 T HA 0.001 4.351 4.350 -0.000 0.000 0.265 165 T C 2.104 176.956 174.700 0.253 0.000 1.062 165 T CA 0.890 63.072 62.100 0.137 0.000 1.139 165 T CB -0.253 68.649 68.868 0.056 0.000 0.883 165 T HN 0.277 nan 8.240 nan 0.000 0.468 166 H N 1.298 120.457 119.070 0.147 0.000 2.387 166 H HA 0.123 4.679 4.556 -0.000 0.000 0.299 166 H C 2.407 177.695 175.328 -0.067 0.000 1.099 166 H CA 1.316 57.390 56.048 0.043 0.000 1.315 166 H CB -0.442 29.378 29.762 0.097 0.000 1.380 166 H HN 0.422 nan 8.280 nan 0.000 0.513 167 A N 0.075 122.967 122.820 0.119 0.000 1.997 167 A HA 0.088 4.408 4.320 -0.000 0.000 0.212 167 A C 1.321 178.880 177.584 -0.043 0.000 1.178 167 A CA 1.055 53.051 52.037 -0.069 0.000 0.698 167 A CB 0.053 18.950 19.000 -0.172 0.000 0.842 167 A HN 0.457 nan 8.150 nan 0.000 0.458 168 T N -2.866 111.714 114.554 0.044 0.000 2.906 168 T HA 0.461 4.811 4.350 -0.000 0.000 0.295 168 T C -0.232 174.473 174.700 0.009 0.000 1.075 168 T CA 0.212 62.309 62.100 -0.006 0.000 1.005 168 T CB 1.370 70.149 68.868 -0.149 0.000 1.136 168 T HN 0.293 nan 8.240 nan 0.000 0.498 169 T N 0.193 114.666 114.554 -0.136 0.000 3.855 169 T HA 0.499 4.849 4.350 -0.000 0.000 0.306 169 T C -0.051 174.663 174.700 0.022 0.000 1.575 169 T CA -0.687 61.273 62.100 -0.234 0.000 1.214 169 T CB -1.874 66.853 68.868 -0.235 0.000 1.262 169 T HN 0.726 nan 8.240 nan 0.000 0.883 170 C N 1.793 121.147 119.300 0.090 0.000 2.481 170 C HA 0.569 5.029 4.460 -0.000 0.000 0.324 170 C C 0.470 175.505 174.990 0.075 0.000 1.170 170 C CA -0.906 58.167 59.018 0.091 0.000 1.361 170 C CB 1.260 29.058 27.740 0.097 0.000 1.977 170 C HN 0.674 nan 8.230 nan 0.000 0.459 171 T N 4.574 119.168 114.554 0.067 0.000 2.910 171 T HA 0.288 4.638 4.350 -0.000 0.000 0.323 171 T C -2.642 172.089 174.700 0.051 0.000 1.091 171 T CA -0.732 61.409 62.100 0.068 0.000 0.960 171 T CB 0.210 69.140 68.868 0.103 0.000 1.024 171 T HN 0.418 nan 8.240 nan 0.000 0.509 172 P HA 0.338 nan 4.420 nan 0.000 0.269 172 P C 0.737 178.114 177.300 0.128 0.000 1.252 172 P CA 0.727 63.830 63.100 0.005 0.000 0.780 172 P CB 0.133 31.796 31.700 -0.061 0.000 0.829 173 G N 5.553 114.391 108.800 0.064 0.000 2.880 173 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.617 173 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.617 173 G C -1.935 173.039 174.900 0.123 0.000 1.493 173 G CA -0.804 44.348 45.100 0.087 0.000 0.916 173 G HN 0.258 nan 8.290 nan 0.000 0.553 174 P HA -0.170 nan 4.420 nan 0.000 0.217 174 P C 1.639 178.995 177.300 0.093 0.000 1.158 174 P CA 2.382 65.529 63.100 0.079 0.000 0.887 174 P CB -0.012 31.730 31.700 0.070 0.000 0.792 175 W N -1.370 119.896 121.300 -0.057 0.000 2.378 175 W HA -0.182 4.478 4.660 -0.000 0.000 0.313 175 W C 2.223 178.658 176.519 -0.139 0.000 1.197 175 W CA 1.390 58.655 57.345 -0.133 0.000 1.304 175 W CB -1.031 28.294 29.460 -0.225 0.000 1.148 175 W HN -0.107 nan 8.180 nan 0.000 0.494 176 Y N 0.207 120.661 120.300 0.256 0.000 2.293 176 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 176 Y C 2.295 178.171 175.900 -0.041 0.000 1.137 176 Y CA 1.695 59.857 58.100 0.103 0.000 1.202 176 Y CB -0.895 37.669 38.460 0.173 0.000 0.990 176 Y HN -0.051 nan 8.280 nan 0.000 0.537 177 I N -1.355 119.288 120.570 0.120 0.000 2.202 177 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 177 I C 2.314 178.398 176.117 -0.054 0.000 1.091 177 I CA 1.424 62.747 61.300 0.038 0.000 1.368 177 I CB -0.527 37.496 38.000 0.039 0.000 1.058 177 I HN 0.036 nan 8.210 nan 0.000 0.410 178 S N 0.424 116.054 115.700 -0.117 0.000 2.359 178 S HA -0.211 4.259 4.470 -0.000 0.000 0.224 178 S C 2.088 176.534 174.600 -0.255 0.000 1.035 178 S CA 1.358 59.446 58.200 -0.187 0.000 1.018 178 S CB -0.290 62.767 63.200 -0.237 0.000 0.876 178 S HN 0.269 nan 8.310 nan 0.000 0.448 179 R N 0.976 121.252 120.500 -0.374 0.000 2.073 179 R HA 0.120 4.460 4.340 -0.000 0.000 0.234 179 R C 2.324 178.500 176.300 -0.208 0.000 1.134 179 R CA 1.323 57.194 56.100 -0.382 0.000 0.952 179 R CB -0.407 29.556 30.300 -0.561 0.000 0.850 179 R HN 0.300 nan 8.270 nan 0.000 0.433 180 M N -0.155 119.363 119.600 -0.136 0.000 2.229 180 M HA -0.070 4.409 4.480 -0.000 0.000 0.264 180 M C 2.081 178.275 176.300 -0.178 0.000 1.063 180 M CA 1.313 56.524 55.300 -0.149 0.000 1.114 180 M CB -0.635 31.896 32.600 -0.116 0.000 1.387 180 M HN 0.174 nan 8.290 nan 0.000 0.420 181 L N -0.387 120.752 121.223 -0.140 0.000 2.093 181 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 181 L C 2.531 179.318 176.870 -0.140 0.000 1.085 181 L CA 1.129 55.895 54.840 -0.124 0.000 0.755 181 L CB -0.431 41.573 42.059 -0.092 0.000 0.904 181 L HN 0.399 nan 8.230 nan 0.000 0.435 182 Q N -0.461 119.248 119.800 -0.152 0.000 2.083 182 Q HA -0.141 4.199 4.340 -0.000 0.000 0.198 182 Q C 2.415 178.335 176.000 -0.133 0.000 0.969 182 Q CA 1.423 57.139 55.803 -0.145 0.000 0.838 182 Q CB -0.213 28.432 28.738 -0.155 0.000 0.900 182 Q HN 0.533 nan 8.270 nan 0.000 0.436 183 A N 1.237 123.970 122.820 -0.146 0.000 1.969 183 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 183 A C 2.294 179.786 177.584 -0.155 0.000 1.169 183 A CA 1.356 53.311 52.037 -0.137 0.000 0.635 183 A CB -0.620 18.289 19.000 -0.153 0.000 0.810 183 A HN 0.380 nan 8.150 nan 0.000 0.445 184 A N 0.014 122.720 122.820 -0.190 0.000 2.024 184 A HA -0.193 4.126 4.320 -0.000 0.000 0.220 184 A C 1.659 179.188 177.584 -0.092 0.000 1.164 184 A CA 1.764 53.688 52.037 -0.187 0.000 0.643 184 A CB -0.517 18.374 19.000 -0.183 0.000 0.806 184 A HN 0.444 nan 8.150 nan 0.000 0.451 185 D N -0.090 120.265 120.400 -0.074 0.000 2.263 185 D HA -0.058 4.582 4.640 -0.000 0.000 0.208 185 D C 1.787 178.166 176.300 0.131 0.000 0.971 185 D CA 1.353 55.349 54.000 -0.006 0.000 0.867 185 D CB -0.066 40.651 40.800 -0.138 0.000 0.929 185 D HN 0.429 nan 8.370 nan 0.000 0.492 186 S N -0.369 115.360 115.700 0.049 0.000 2.528 186 S HA 0.103 4.573 4.470 -0.000 0.000 0.219 186 S C 1.022 175.635 174.600 0.023 0.000 0.985 186 S CA -0.070 58.160 58.200 0.051 0.000 0.914 186 S CB 0.581 63.790 63.200 0.014 0.000 0.776 186 S HN 0.176 nan 8.310 nan 0.000 0.526 187 L N 3.041 124.267 121.223 0.006 0.000 2.312 187 L HA 0.325 4.665 4.340 -0.000 0.000 0.281 187 L C -1.842 175.054 176.870 0.043 0.000 1.070 187 L CA -2.082 52.769 54.840 0.018 0.000 0.805 187 L CB 0.812 42.864 42.059 -0.012 0.000 1.174 187 L HN -0.127 nan 8.230 nan 0.000 0.434 188 P HA 0.030 nan 4.420 nan 0.000 0.253 188 P C -0.494 176.850 177.300 0.072 0.000 1.508 188 P CA 0.269 63.401 63.100 0.053 0.000 0.883 188 P CB -0.013 31.711 31.700 0.041 0.000 1.519 189 V N -3.634 116.337 119.914 0.095 0.000 3.040 189 V HA 0.543 4.663 4.120 -0.000 0.000 0.312 189 V C -0.340 175.831 176.094 0.128 0.000 1.115 189 V CA -1.406 60.969 62.300 0.124 0.000 0.998 189 V CB 1.796 33.722 31.823 0.173 0.000 1.042 189 V HN -0.176 nan 8.190 nan 0.000 0.433 190 N N 1.894 120.685 118.700 0.150 0.000 2.518 190 N HA 0.562 5.302 4.740 -0.000 0.000 0.266 190 N C -0.725 174.949 175.510 0.274 0.000 1.196 190 N CA 0.161 53.304 53.050 0.156 0.000 0.947 190 N CB 1.325 39.963 38.487 0.251 0.000 1.098 190 N HN 0.730 nan 8.380 nan 0.000 0.450 191 I N -0.142 120.579 120.570 0.252 0.000 2.730 191 I HA 0.504 4.674 4.170 -0.000 0.000 0.298 191 I C 0.300 176.663 176.117 0.410 0.000 1.089 191 I CA -0.904 60.592 61.300 0.328 0.000 1.041 191 I CB 2.480 40.582 38.000 0.170 0.000 1.235 191 I HN 0.427 nan 8.210 nan 0.000 0.423 192 G N 5.587 114.616 108.800 0.383 0.000 2.638 192 G HA2 0.726 4.685 3.960 -0.000 0.000 0.302 192 G HA3 0.726 4.685 3.960 -0.000 0.000 0.302 192 G C -1.410 173.635 174.900 0.242 0.000 1.365 192 G CA -0.469 44.816 45.100 0.308 0.000 0.987 192 G HN 0.377 nan 8.290 nan 0.000 0.495 193 L N 1.222 122.557 121.223 0.186 0.000 2.334 193 L HA 0.603 4.943 4.340 -0.000 0.000 0.272 193 L C -0.254 176.695 176.870 0.132 0.000 1.020 193 L CA -0.933 54.015 54.840 0.179 0.000 0.812 193 L CB 2.009 44.143 42.059 0.126 0.000 1.264 193 L HN 0.195 nan 8.230 nan 0.000 0.439 194 L N 1.229 122.530 121.223 0.130 0.000 2.329 194 L HA 0.636 4.976 4.340 -0.000 0.000 0.279 194 L C 0.447 177.359 176.870 0.071 0.000 1.014 194 L CA -0.453 54.440 54.840 0.088 0.000 0.814 194 L CB 1.800 43.905 42.059 0.077 0.000 1.257 194 L HN 0.678 nan 8.230 nan 0.000 0.424 195 G N 1.222 110.046 108.800 0.041 0.000 2.531 195 G HA2 0.294 4.254 3.960 -0.000 0.000 0.313 195 G HA3 0.294 4.254 3.960 -0.000 0.000 0.313 195 G C -0.940 173.946 174.900 -0.023 0.000 1.238 195 G CA -0.578 44.530 45.100 0.013 0.000 0.994 195 G HN 0.529 nan 8.290 nan 0.000 0.493 196 K N 0.154 120.501 120.400 -0.090 0.000 2.292 196 K HA 0.281 4.601 4.320 -0.000 0.000 0.290 196 K C 1.061 177.580 176.600 -0.134 0.000 1.083 196 K CA -0.053 56.123 56.287 -0.186 0.000 0.918 196 K CB 0.404 32.643 32.500 -0.435 0.000 1.089 196 K HN 0.450 nan 8.250 nan 0.000 0.473 197 G N 3.549 112.306 108.800 -0.071 0.000 2.985 197 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.209 197 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.209 197 G C -0.029 174.851 174.900 -0.033 0.000 1.165 197 G CA -0.313 44.761 45.100 -0.044 0.000 0.776 197 G HN 0.624 nan 8.290 nan 0.000 0.541 198 N N 0.779 119.454 118.700 -0.042 0.000 2.605 198 N HA 0.416 5.156 4.740 -0.000 0.000 0.258 198 N C -0.966 174.530 175.510 -0.023 0.000 1.156 198 N CA 0.133 53.186 53.050 0.004 0.000 1.008 198 N CB 1.291 39.832 38.487 0.091 0.000 1.354 198 N HN 0.013 nan 8.380 nan 0.000 0.509 199 V N -0.587 119.317 119.914 -0.017 0.000 3.077 199 V HA 0.305 4.425 4.120 -0.000 0.000 0.299 199 V C 0.238 176.327 176.094 -0.009 0.000 1.276 199 V CA -0.927 61.361 62.300 -0.020 0.000 0.993 199 V CB 2.093 33.894 31.823 -0.036 0.000 1.076 199 V HN 0.295 nan 8.190 nan 0.000 0.434 200 S N 0.849 116.545 115.700 -0.005 0.000 2.572 200 S HA 0.156 4.626 4.470 -0.000 0.000 0.228 200 S C 0.221 174.817 174.600 -0.006 0.000 0.963 200 S CA 0.022 58.220 58.200 -0.003 0.000 0.939 200 S CB -0.043 63.158 63.200 0.001 0.000 0.804 200 S HN 0.804 nan 8.310 nan 0.000 0.480 201 Q N 1.537 121.330 119.800 -0.010 0.000 2.363 201 Q HA 0.419 4.759 4.340 -0.000 0.000 0.265 201 Q C -2.489 173.504 176.000 -0.013 0.000 1.032 201 Q CA -2.132 53.664 55.803 -0.011 0.000 0.746 201 Q CB 1.521 30.252 28.738 -0.012 0.000 1.237 201 Q HN -0.111 nan 8.270 nan 0.000 0.475 202 P HA -0.172 nan 4.420 nan 0.000 0.216 202 P C 0.169 177.463 177.300 -0.011 0.000 1.154 202 P CA 1.323 64.417 63.100 -0.011 0.000 0.865 202 P CB 0.378 32.072 31.700 -0.009 0.000 0.789 203 D N -0.921 119.473 120.400 -0.010 0.000 2.178 203 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 203 D C 1.898 178.192 176.300 -0.011 0.000 0.980 203 D CA 1.367 55.362 54.000 -0.009 0.000 0.842 203 D CB -0.574 40.222 40.800 -0.008 0.000 0.948 203 D HN 0.107 nan 8.370 nan 0.000 0.472 204 A N 0.147 122.958 122.820 -0.015 0.000 2.067 204 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 204 A C 2.269 179.839 177.584 -0.023 0.000 1.158 204 A CA 0.657 52.681 52.037 -0.021 0.000 0.661 204 A CB -0.328 18.654 19.000 -0.029 0.000 0.801 204 A HN 0.199 nan 8.150 nan 0.000 0.452 205 L N -1.726 119.484 121.223 -0.020 0.000 2.200 205 L HA -0.003 4.337 4.340 -0.000 0.000 0.200 205 L C 2.712 179.576 176.870 -0.010 0.000 1.072 205 L CA 0.548 55.376 54.840 -0.019 0.000 0.787 205 L CB -0.482 41.565 42.059 -0.020 0.000 0.957 205 L HN 0.276 nan 8.230 nan 0.000 0.459 206 R N 0.547 121.043 120.500 -0.008 0.000 2.103 206 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 206 R C 2.093 178.393 176.300 0.000 0.000 1.142 206 R CA 1.675 57.773 56.100 -0.003 0.000 0.960 206 R CB -0.392 29.905 30.300 -0.004 0.000 0.858 206 R HN 0.449 nan 8.270 nan 0.000 0.439 207 E N 0.661 120.861 120.200 -0.001 0.000 2.085 207 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 207 E C 2.170 178.774 176.600 0.007 0.000 0.994 207 E CA 1.297 57.699 56.400 0.003 0.000 0.801 207 E CB -0.040 29.662 29.700 0.003 0.000 0.743 207 E HN 0.459 nan 8.360 nan 0.000 0.453 208 Q N 0.150 119.953 119.800 0.005 0.000 2.079 208 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 208 Q C 2.397 178.406 176.000 0.015 0.000 0.974 208 Q CA 1.288 57.097 55.803 0.011 0.000 0.840 208 Q CB 0.071 28.810 28.738 0.002 0.000 0.898 208 Q HN 0.174 nan 8.270 nan 0.000 0.430 209 V N 0.871 120.792 119.914 0.012 0.000 2.427 209 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 209 V C 2.225 178.330 176.094 0.018 0.000 1.051 209 V CA 1.700 64.011 62.300 0.018 0.000 1.048 209 V CB -0.916 30.916 31.823 0.014 0.000 0.666 209 V HN 0.348 nan 8.190 nan 0.000 0.456 210 A N 0.047 122.874 122.820 0.012 0.000 2.015 210 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 210 A C 2.345 179.935 177.584 0.009 0.000 1.163 210 A CA 1.634 53.677 52.037 0.010 0.000 0.646 210 A CB -0.526 18.477 19.000 0.006 0.000 0.806 210 A HN 0.551 nan 8.150 nan 0.000 0.448 211 A N -1.923 120.903 122.820 0.011 0.000 2.014 211 A HA 0.370 4.690 4.320 -0.000 0.000 0.218 211 A C 1.796 179.384 177.584 0.006 0.000 1.163 211 A CA 1.791 53.832 52.037 0.007 0.000 0.652 211 A CB -0.438 18.570 19.000 0.014 0.000 0.808 211 A HN 1.608 nan 8.150 nan 0.000 0.449 212 G N -1.958 106.853 108.800 0.018 0.000 2.902 212 G HA2 0.054 4.014 3.960 -0.000 0.000 0.215 212 G HA3 0.054 4.014 3.960 -0.000 0.000 0.215 212 G C 0.295 175.223 174.900 0.048 0.000 0.976 212 G CA 0.077 45.193 45.100 0.027 0.000 0.794 212 G HN 1.396 nan 8.290 nan 0.000 0.557 213 V N 0.987 120.930 119.914 0.048 0.000 2.811 213 V HA 0.621 4.741 4.120 -0.000 0.000 0.302 213 V C 1.650 177.788 176.094 0.074 0.000 1.063 213 V CA 0.097 62.436 62.300 0.065 0.000 1.088 213 V CB 1.172 33.029 31.823 0.056 0.000 0.982 213 V HN 0.805 nan 8.190 nan 0.000 0.485 214 I N 0.503 121.130 120.570 0.095 0.000 3.875 214 I HA 0.760 4.930 4.170 -0.000 0.000 0.329 214 I C 0.651 176.829 176.117 0.103 0.000 1.295 214 I CA 0.379 61.740 61.300 0.101 0.000 1.129 214 I CB -0.283 37.789 38.000 0.119 0.000 1.008 214 I HN 0.922 nan 8.210 nan 0.000 0.413 215 G N 1.066 109.919 108.800 0.087 0.000 2.451 215 G HA2 0.587 4.547 3.960 -0.000 0.000 0.292 215 G HA3 0.587 4.547 3.960 -0.000 0.000 0.292 215 G C -1.944 172.983 174.900 0.046 0.000 1.427 215 G CA -0.793 44.355 45.100 0.081 0.000 0.792 215 G HN 0.089 nan 8.290 nan 0.000 0.498 216 L N 0.023 121.255 121.223 0.016 0.000 2.408 216 L HA 0.641 4.981 4.340 -0.000 0.000 0.268 216 L C -0.546 176.306 176.870 -0.030 0.000 0.986 216 L CA -1.096 53.742 54.840 -0.004 0.000 0.820 216 L CB 2.587 44.637 42.059 -0.016 0.000 1.303 216 L HN 0.514 nan 8.230 nan 0.000 0.411 217 K N 2.799 123.194 120.400 -0.009 0.000 2.213 217 K HA 0.575 4.895 4.320 -0.000 0.000 0.270 217 K C -1.177 175.453 176.600 0.050 0.000 1.002 217 K CA -0.174 56.109 56.287 -0.007 0.000 0.868 217 K CB 0.968 33.512 32.500 0.073 0.000 1.093 217 K HN 0.362 nan 8.250 nan 0.000 0.454 218 I N 5.024 125.608 120.570 0.024 0.000 2.304 218 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 218 I C -0.344 175.867 176.117 0.158 0.000 1.018 218 I CA -0.216 61.133 61.300 0.081 0.000 1.260 218 I CB 0.807 38.822 38.000 0.024 0.000 1.390 218 I HN 0.570 nan 8.210 nan 0.000 0.475 219 H N 6.077 125.234 119.070 0.146 0.000 2.538 219 H HA 0.222 4.778 4.556 -0.000 0.000 0.353 219 H C 0.717 176.053 175.328 0.013 0.000 1.109 219 H CA -0.390 55.697 56.048 0.064 0.000 1.192 219 H CB 1.805 31.634 29.762 0.113 0.000 1.555 219 H HN 0.815 nan 8.280 nan 0.000 0.518 220 E N 2.310 122.411 120.200 -0.164 0.000 2.209 220 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 220 E C 0.096 176.732 176.600 0.060 0.000 0.993 220 E CA 1.538 57.923 56.400 -0.025 0.000 0.819 220 E CB 0.176 29.843 29.700 -0.055 0.000 0.745 220 E HN 0.460 nan 8.360 nan 0.000 0.477 221 D N -0.014 120.479 120.400 0.154 0.000 2.310 221 D HA -0.101 4.538 4.640 -0.000 0.000 0.212 221 D C 0.465 176.662 176.300 -0.171 0.000 0.965 221 D CA 0.878 54.826 54.000 -0.086 0.000 0.879 221 D CB -0.171 40.444 40.800 -0.309 0.000 0.921 221 D HN 0.485 nan 8.370 nan 0.000 0.510 222 W N 0.232 121.581 121.300 0.081 0.000 3.127 222 W HA 0.393 5.053 4.660 -0.000 0.000 0.344 222 W C 0.565 177.103 176.519 0.032 0.000 1.151 222 W CA -0.172 57.198 57.345 0.042 0.000 1.765 222 W CB 0.881 30.364 29.460 0.038 0.000 1.085 222 W HN -0.090 nan 8.180 nan 0.000 0.596 223 G N 1.482 110.407 108.800 0.208 0.000 2.830 223 G HA2 0.059 4.019 3.960 -0.000 0.000 0.298 223 G HA3 0.059 4.019 3.960 -0.000 0.000 0.298 223 G C -0.230 174.732 174.900 0.103 0.000 1.031 223 G CA -0.552 44.621 45.100 0.122 0.000 1.179 223 G HN 0.420 nan 8.290 nan 0.000 0.527 224 A N 2.436 125.297 122.820 0.070 0.000 3.118 224 A HA 0.681 5.001 4.320 -0.000 0.000 0.256 224 A C 1.244 178.850 177.584 0.037 0.000 1.667 224 A CA 0.824 52.894 52.037 0.054 0.000 1.338 224 A CB -0.478 18.545 19.000 0.038 0.000 1.127 224 A HN 2.002 nan 8.150 nan 0.000 0.634 225 T N -2.290 112.286 114.554 0.038 0.000 2.899 225 T HA 0.434 4.784 4.350 -0.000 0.000 0.284 225 T C -1.870 172.846 174.700 0.026 0.000 1.004 225 T CA -1.702 60.414 62.100 0.027 0.000 1.043 225 T CB 1.105 69.986 68.868 0.022 0.000 1.013 225 T HN 0.081 nan 8.240 nan 0.000 0.518 226 P HA -0.065 nan 4.420 nan 0.000 0.217 226 P C 1.570 178.875 177.300 0.009 0.000 1.148 226 P CA 1.388 64.498 63.100 0.015 0.000 0.828 226 P CB -0.212 31.493 31.700 0.010 0.000 0.783 227 A N -0.147 122.678 122.820 0.008 0.000 1.873 227 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 227 A C 2.310 179.897 177.584 0.006 0.000 1.186 227 A CA 1.932 53.972 52.037 0.005 0.000 0.616 227 A CB -1.569 17.435 19.000 0.005 0.000 0.823 227 A HN 0.180 nan 8.150 nan 0.000 0.442 228 A N 0.108 122.935 122.820 0.013 0.000 1.877 228 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 228 A C 2.137 179.726 177.584 0.008 0.000 1.186 228 A CA 1.610 53.655 52.037 0.014 0.000 0.620 228 A CB -0.695 18.323 19.000 0.030 0.000 0.822 228 A HN 0.493 nan 8.150 nan 0.000 0.443 229 I N -0.248 120.327 120.570 0.010 0.000 2.127 229 I HA -0.283 3.887 4.170 -0.000 0.000 0.241 229 I C 2.378 178.490 176.117 -0.008 0.000 1.075 229 I CA 1.982 63.283 61.300 0.000 0.000 1.334 229 I CB -0.478 37.525 38.000 0.005 0.000 1.040 229 I HN 0.409 nan 8.210 nan 0.000 0.405 230 D N 0.237 120.633 120.400 -0.006 0.000 2.123 230 D HA -0.243 4.397 4.640 -0.000 0.000 0.196 230 D C 2.288 178.582 176.300 -0.011 0.000 0.992 230 D CA 1.384 55.379 54.000 -0.009 0.000 0.833 230 D CB -0.241 40.555 40.800 -0.006 0.000 0.954 230 D HN 0.407 nan 8.370 nan 0.000 0.455 231 C N 0.034 119.329 119.300 -0.008 0.000 2.436 231 C HA 0.025 4.485 4.460 -0.000 0.000 0.277 231 C C 2.917 177.899 174.990 -0.013 0.000 1.241 231 C CA 1.642 60.655 59.018 -0.010 0.000 1.721 231 C CB -1.485 26.250 27.740 -0.008 0.000 2.043 231 C HN 0.449 nan 8.230 nan 0.000 0.472 232 A N 0.185 122.996 122.820 -0.015 0.000 1.883 232 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 232 A C 2.168 179.738 177.584 -0.023 0.000 1.186 232 A CA 1.924 53.949 52.037 -0.020 0.000 0.624 232 A CB -0.769 18.218 19.000 -0.022 0.000 0.822 232 A HN 0.685 nan 8.150 nan 0.000 0.444 233 L N -0.801 120.407 121.223 -0.025 0.000 2.131 233 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 233 L C 2.740 179.596 176.870 -0.023 0.000 1.092 233 L CA 1.587 56.410 54.840 -0.028 0.000 0.759 233 L CB -0.816 41.225 42.059 -0.030 0.000 0.903 233 L HN 0.356 nan 8.230 nan 0.000 0.435 234 T N -0.572 113.971 114.554 -0.018 0.000 2.737 234 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 234 T C 1.988 176.680 174.700 -0.015 0.000 1.038 234 T CA 1.378 63.469 62.100 -0.015 0.000 1.144 234 T CB -0.160 68.700 68.868 -0.013 0.000 0.866 234 T HN 0.066 nan 8.240 nan 0.000 0.434 235 V N 1.713 121.618 119.914 -0.014 0.000 2.427 235 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 235 V C 2.866 178.952 176.094 -0.013 0.000 1.051 235 V CA 1.467 63.759 62.300 -0.012 0.000 1.048 235 V CB -1.211 30.605 31.823 -0.011 0.000 0.666 235 V HN 0.510 nan 8.190 nan 0.000 0.456 236 A N -0.082 122.728 122.820 -0.017 0.000 1.908 236 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 236 A C 2.018 179.590 177.584 -0.020 0.000 1.181 236 A CA 2.075 54.101 52.037 -0.020 0.000 0.627 236 A CB -0.604 18.378 19.000 -0.029 0.000 0.818 236 A HN 0.508 nan 8.150 nan 0.000 0.445 237 D N -0.306 120.081 120.400 -0.021 0.000 2.178 237 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 237 D C 1.971 178.262 176.300 -0.016 0.000 0.974 237 D CA 1.555 55.543 54.000 -0.020 0.000 0.841 237 D CB -0.212 40.576 40.800 -0.020 0.000 0.953 237 D HN 0.887 nan 8.370 nan 0.000 0.478 238 E N -0.707 119.485 120.200 -0.013 0.000 2.400 238 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 238 E C 1.560 178.155 176.600 -0.008 0.000 1.012 238 E CA 0.217 56.611 56.400 -0.010 0.000 0.875 238 E CB 0.042 29.736 29.700 -0.009 0.000 0.859 238 E HN 0.190 nan 8.360 nan 0.000 0.498 239 M N 0.764 120.360 119.600 -0.007 0.000 2.313 239 M HA 0.136 4.616 4.480 -0.000 0.000 0.273 239 M C -0.356 175.944 176.300 -0.000 0.000 1.049 239 M CA -0.077 55.221 55.300 -0.002 0.000 1.004 239 M CB 0.500 33.102 32.600 0.002 0.000 1.461 239 M HN -0.106 nan 8.290 nan 0.000 0.514 240 D N 2.886 123.281 120.400 -0.007 0.000 2.760 240 D HA -0.146 4.494 4.640 -0.000 0.000 0.244 240 D C -1.139 175.160 176.300 -0.001 0.000 1.123 240 D CA 0.597 54.591 54.000 -0.010 0.000 0.719 240 D CB -0.819 39.974 40.800 -0.010 0.000 1.045 240 D HN 0.522 nan 8.370 nan 0.000 0.426 241 I N -2.317 118.251 120.570 -0.004 0.000 2.934 241 I HA 0.700 4.870 4.170 -0.000 0.000 0.306 241 I C -0.134 175.974 176.117 -0.015 0.000 1.110 241 I CA -1.185 60.120 61.300 0.009 0.000 1.019 241 I CB 1.656 39.669 38.000 0.022 0.000 1.227 241 I HN -0.117 nan 8.210 nan 0.000 0.434 242 Q N 1.813 121.608 119.800 -0.009 0.000 2.227 242 Q HA 0.721 5.061 4.340 -0.000 0.000 0.245 242 Q C -1.409 174.562 176.000 -0.048 0.000 0.926 242 Q CA -0.574 55.185 55.803 -0.074 0.000 0.895 242 Q CB 1.899 30.503 28.738 -0.223 0.000 1.230 242 Q HN 0.651 nan 8.270 nan 0.000 0.450 243 V N 2.106 121.964 119.914 -0.095 0.000 2.495 243 V HA 0.837 4.957 4.120 -0.000 0.000 0.298 243 V C -0.710 175.261 176.094 -0.205 0.000 1.031 243 V CA -0.682 61.552 62.300 -0.110 0.000 0.871 243 V CB 1.446 33.213 31.823 -0.095 0.000 0.988 243 V HN 0.859 nan 8.190 nan 0.000 0.432 244 A N 5.050 127.673 122.820 -0.327 0.000 2.318 244 A HA 0.885 5.205 4.320 -0.000 0.000 0.324 244 A C -1.092 176.128 177.584 -0.606 0.000 1.170 244 A CA -0.457 51.114 52.037 -0.778 0.000 0.810 244 A CB 1.208 19.452 19.000 -1.260 0.000 1.198 244 A HN 0.810 nan 8.150 nan 0.000 0.484 245 L N 1.754 122.626 121.223 -0.585 0.000 2.346 245 L HA 0.656 4.996 4.340 -0.000 0.000 0.274 245 L C -0.526 176.269 176.870 -0.125 0.000 1.007 245 L CA -0.234 54.452 54.840 -0.257 0.000 0.818 245 L CB 1.816 43.788 42.059 -0.145 0.000 1.284 245 L HN 0.810 nan 8.230 nan 0.000 0.424 246 H N 2.766 121.779 119.070 -0.095 0.000 3.036 246 H HA 0.507 5.063 4.556 -0.000 0.000 0.295 246 H C -0.612 174.679 175.328 -0.061 0.000 1.124 246 H CA -0.336 55.710 56.048 -0.003 0.000 1.507 246 H CB 0.882 30.590 29.762 -0.090 0.000 1.591 246 H HN 0.840 nan 8.280 nan 0.000 0.510 247 S N 2.452 118.248 115.700 0.159 0.000 2.626 247 S HA -0.042 4.428 4.470 -0.000 0.000 0.257 247 S C 0.450 175.013 174.600 -0.061 0.000 1.288 247 S CA -0.790 57.438 58.200 0.047 0.000 0.980 247 S CB 0.896 64.142 63.200 0.077 0.000 0.975 247 S HN 0.734 nan 8.310 nan 0.000 0.577 248 D N 0.516 120.721 120.400 -0.326 0.000 2.398 248 D HA 0.165 4.805 4.640 -0.000 0.000 0.250 248 D C 0.992 177.010 176.300 -0.470 0.000 1.287 248 D CA 0.120 53.908 54.000 -0.352 0.000 0.992 248 D CB -0.242 40.385 40.800 -0.289 0.000 1.071 248 D HN 0.540 nan 8.370 nan 0.000 0.514 249 T N 3.474 117.945 114.554 -0.138 0.000 2.788 249 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 249 T C 1.938 176.680 174.700 0.070 0.000 1.044 249 T CA 0.826 62.928 62.100 0.003 0.000 1.139 249 T CB -0.019 68.950 68.868 0.168 0.000 0.867 249 T HN 0.438 nan 8.240 nan 0.000 0.454 250 L N 0.889 122.131 121.223 0.031 0.000 2.456 250 L HA 0.044 4.384 4.340 -0.000 0.000 0.224 250 L C 0.722 177.617 176.870 0.040 0.000 1.148 250 L CA 0.229 55.079 54.840 0.016 0.000 0.825 250 L CB -0.779 41.236 42.059 -0.073 0.000 0.937 250 L HN 0.243 nan 8.230 nan 0.000 0.450 251 N N 0.025 118.752 118.700 0.045 0.000 2.741 251 N HA -0.264 4.476 4.740 -0.000 0.000 0.251 251 N C 1.158 176.622 175.510 -0.077 0.000 1.112 251 N CA 1.285 54.381 53.050 0.078 0.000 0.750 251 N CB -1.070 37.544 38.487 0.213 0.000 1.119 251 N HN 0.608 nan 8.380 nan 0.000 0.561 252 E N 0.617 120.783 120.200 -0.058 0.000 2.085 252 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 252 E C 1.478 178.029 176.600 -0.082 0.000 0.994 252 E CA 1.846 58.205 56.400 -0.070 0.000 0.801 252 E CB 0.075 29.743 29.700 -0.054 0.000 0.743 252 E HN 0.534 nan 8.360 nan 0.000 0.453 253 S N -1.179 114.485 115.700 -0.061 0.000 2.535 253 S HA 0.391 4.861 4.470 -0.000 0.000 0.214 253 S C 0.569 175.121 174.600 -0.080 0.000 0.980 253 S CA 0.068 58.237 58.200 -0.052 0.000 0.907 253 S CB 1.184 64.377 63.200 -0.012 0.000 0.790 253 S HN 0.454 nan 8.310 nan 0.000 0.510 254 G N 0.132 108.852 108.800 -0.133 0.000 2.356 254 G HA2 0.373 4.333 3.960 -0.000 0.000 0.300 254 G HA3 0.373 4.333 3.960 -0.000 0.000 0.300 254 G C -1.193 173.577 174.900 -0.216 0.000 1.331 254 G CA -1.069 43.883 45.100 -0.245 0.000 0.905 254 G HN 0.089 nan 8.290 nan 0.000 0.587 255 F N -0.897 119.061 119.950 0.013 0.000 2.321 255 F HA 0.572 5.099 4.527 -0.000 0.000 0.318 255 F C 1.947 177.401 175.800 -0.578 0.000 1.129 255 F CA 0.129 58.054 58.000 -0.124 0.000 1.074 255 F CB 0.715 39.672 39.000 -0.071 0.000 1.432 255 F HN 0.335 nan 8.300 nan 0.000 0.502 256 V N 1.394 120.989 119.914 -0.532 0.000 2.380 256 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 256 V C 2.220 178.149 176.094 -0.274 0.000 1.063 256 V CA 2.448 64.350 62.300 -0.663 0.000 1.055 256 V CB -0.635 31.025 31.823 -0.272 0.000 0.657 256 V HN 0.819 nan 8.190 nan 0.000 0.455 257 E N -1.033 119.103 120.200 -0.107 0.000 2.265 257 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 257 E C 1.577 178.153 176.600 -0.039 0.000 0.996 257 E CA 1.659 58.032 56.400 -0.045 0.000 0.832 257 E CB -0.551 29.157 29.700 0.015 0.000 0.756 257 E HN 0.689 nan 8.360 nan 0.000 0.491 258 D N 0.913 121.290 120.400 -0.039 0.000 2.137 258 D HA -0.050 4.590 4.640 -0.000 0.000 0.202 258 D C 1.757 178.045 176.300 -0.020 0.000 0.970 258 D CA 1.452 55.440 54.000 -0.019 0.000 0.837 258 D CB -0.064 40.728 40.800 -0.012 0.000 0.981 258 D HN 0.171 nan 8.370 nan 0.000 0.475 259 T N 1.866 116.406 114.554 -0.024 0.000 2.684 259 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 259 T C 2.263 176.943 174.700 -0.034 0.000 1.036 259 T CA 0.617 62.734 62.100 0.028 0.000 1.148 259 T CB -0.336 68.619 68.868 0.144 0.000 0.863 259 T HN 0.087 nan 8.240 nan 0.000 0.436 260 L N 0.583 121.752 121.223 -0.090 0.000 2.079 260 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 260 L C 2.935 179.747 176.870 -0.096 0.000 1.081 260 L CA 1.224 55.976 54.840 -0.146 0.000 0.752 260 L CB -0.587 41.328 42.059 -0.240 0.000 0.896 260 L HN 0.262 nan 8.230 nan 0.000 0.433 261 A N -0.211 122.575 122.820 -0.056 0.000 1.898 261 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 261 A C 2.531 180.101 177.584 -0.024 0.000 1.181 261 A CA 1.493 53.512 52.037 -0.030 0.000 0.620 261 A CB -0.626 18.365 19.000 -0.014 0.000 0.819 261 A HN 0.388 nan 8.150 nan 0.000 0.442 262 A N 0.072 122.880 122.820 -0.020 0.000 1.933 262 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 262 A C 2.076 179.647 177.584 -0.021 0.000 1.175 262 A CA 1.511 53.540 52.037 -0.013 0.000 0.628 262 A CB -0.641 18.357 19.000 -0.002 0.000 0.814 262 A HN 0.505 nan 8.150 nan 0.000 0.444 263 I N -0.499 120.051 120.570 -0.034 0.000 2.286 263 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 263 I C 1.787 177.882 176.117 -0.036 0.000 1.115 263 I CA 0.970 62.245 61.300 -0.042 0.000 1.392 263 I CB -0.692 37.270 38.000 -0.065 0.000 1.065 263 I HN 0.487 nan 8.210 nan 0.000 0.418 264 G N 1.006 109.786 108.800 -0.033 0.000 2.323 264 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.292 264 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.292 264 G C 0.987 175.877 174.900 -0.017 0.000 1.040 264 G CA 0.436 45.523 45.100 -0.021 0.000 0.942 264 G HN 0.948 nan 8.290 nan 0.000 0.506 265 G N -1.693 107.095 108.800 -0.019 0.000 2.189 265 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.267 265 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.267 265 G C 0.592 175.482 174.900 -0.016 0.000 0.975 265 G CA 1.120 46.216 45.100 -0.007 0.000 0.644 265 G HN 1.044 nan 8.290 nan 0.000 0.537 266 R N 0.581 121.065 120.500 -0.027 0.000 2.490 266 R HA 0.471 4.811 4.340 -0.000 0.000 0.278 266 R C 0.502 176.777 176.300 -0.041 0.000 1.069 266 R CA -0.007 56.074 56.100 -0.031 0.000 1.080 266 R CB 0.431 30.712 30.300 -0.032 0.000 1.030 266 R HN 0.156 nan 8.270 nan 0.000 0.491 267 T N 2.897 117.424 114.554 -0.045 0.000 2.934 267 T HA 0.179 4.529 4.350 -0.000 0.000 0.306 267 T C 0.183 174.841 174.700 -0.070 0.000 1.042 267 T CA 0.476 62.541 62.100 -0.058 0.000 1.145 267 T CB 0.048 68.877 68.868 -0.065 0.000 0.982 267 T HN 0.399 nan 8.240 nan 0.000 0.544 268 I N 1.734 122.259 120.570 -0.075 0.000 2.753 268 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 268 I C -0.829 175.253 176.117 -0.058 0.000 1.425 268 I CA -0.792 60.458 61.300 -0.083 0.000 1.039 268 I CB 1.994 39.943 38.000 -0.085 0.000 1.349 268 I HN 0.759 nan 8.210 nan 0.000 0.430 269 H N 5.908 124.844 119.070 -0.223 0.000 2.640 269 H HA 0.401 4.957 4.556 -0.000 0.000 0.297 269 H C -0.769 174.400 175.328 -0.265 0.000 1.073 269 H CA -0.536 55.376 56.048 -0.227 0.000 1.305 269 H CB 0.922 30.526 29.762 -0.264 0.000 1.404 269 H HN 0.596 nan 8.280 nan 0.000 0.459 270 T N 3.539 118.094 114.554 0.001 0.000 2.729 270 T HA 0.174 4.524 4.350 -0.000 0.000 0.296 270 T C -0.007 174.641 174.700 -0.086 0.000 0.928 270 T CA -0.773 61.251 62.100 -0.127 0.000 1.045 270 T CB 0.164 68.986 68.868 -0.077 0.000 0.902 270 T HN 0.198 nan 8.240 nan 0.000 0.500 271 F N 3.650 123.354 119.950 -0.411 0.000 2.410 271 F HA 0.237 4.764 4.527 -0.000 0.000 0.334 271 F C 1.508 176.943 175.800 -0.608 0.000 1.134 271 F CA -0.952 56.718 58.000 -0.550 0.000 1.227 271 F CB -0.176 38.364 39.000 -0.767 0.000 1.194 271 F HN 0.935 nan 8.300 nan 0.000 0.571 272 H N -0.897 118.335 119.070 0.271 0.000 2.166 272 H HA -0.200 4.356 4.556 -0.000 0.000 0.323 272 H C 0.773 176.165 175.328 0.106 0.000 0.936 272 H CA 0.442 56.581 56.048 0.153 0.000 1.073 272 H CB -2.430 27.375 29.762 0.072 0.000 1.592 272 H HN 0.525 nan 8.280 nan 0.000 0.346 273 T N -0.711 113.946 114.554 0.172 0.000 2.897 273 T HA -0.226 4.124 4.350 -0.000 0.000 0.271 273 T C 1.781 176.632 174.700 0.252 0.000 1.084 273 T CA 1.306 63.445 62.100 0.064 0.000 1.123 273 T CB 0.034 68.666 68.868 -0.392 0.000 0.865 273 T HN 0.703 nan 8.240 nan 0.000 0.496 274 E N 0.833 121.271 120.200 0.397 0.000 2.150 274 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 274 E C 1.914 178.576 176.600 0.103 0.000 0.985 274 E CA 1.203 57.764 56.400 0.268 0.000 0.814 274 E CB -0.306 29.495 29.700 0.168 0.000 0.752 274 E HN 0.586 nan 8.360 nan 0.000 0.466 275 G N -0.103 108.747 108.800 0.083 0.000 2.284 275 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 275 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 275 G C 1.376 176.194 174.900 -0.136 0.000 1.009 275 G CA 0.669 45.752 45.100 -0.028 0.000 0.625 275 G HN 0.579 nan 8.290 nan 0.000 0.501 276 A N 0.785 123.534 122.820 -0.118 0.000 1.908 276 A HA 0.285 4.605 4.320 -0.000 0.000 0.218 276 A C 2.648 180.118 177.584 -0.190 0.000 1.181 276 A CA 2.520 54.473 52.037 -0.140 0.000 0.627 276 A CB -0.984 17.938 19.000 -0.130 0.000 0.818 276 A HN 1.696 nan 8.150 nan 0.000 0.445 277 G N -1.534 107.102 108.800 -0.273 0.000 2.848 277 G HA2 0.439 4.399 3.960 -0.000 0.000 0.208 277 G HA3 0.439 4.399 3.960 -0.000 0.000 0.208 277 G C 0.673 174.955 174.900 -1.031 0.000 1.152 277 G CA 0.773 45.572 45.100 -0.502 0.000 0.789 277 G HN 1.663 nan 8.290 nan 0.000 0.531 278 G N -2.182 106.121 108.800 -0.829 0.000 2.435 278 G HA2 0.572 4.532 3.960 -0.000 0.000 0.603 278 G HA3 0.572 4.532 3.960 -0.000 0.000 0.603 278 G C -0.258 174.320 174.900 -0.536 0.000 1.496 278 G CA -0.114 44.496 45.100 -0.816 0.000 0.896 278 G HN 1.830 nan 8.290 nan 0.000 0.657 279 G N 0.652 109.309 108.800 -0.239 0.000 2.317 279 G HA2 0.481 4.441 3.960 -0.000 0.000 0.445 279 G HA3 0.481 4.441 3.960 -0.000 0.000 0.445 279 G C -0.456 174.446 174.900 0.004 0.000 1.486 279 G CA -0.379 44.679 45.100 -0.068 0.000 0.991 279 G HN 1.419 nan 8.290 nan 0.000 0.660 280 H N 0.011 119.112 119.070 0.051 0.000 3.223 280 H HA 0.230 4.786 4.556 -0.000 0.000 0.287 280 H C 1.069 176.423 175.328 0.043 0.000 0.910 280 H CA 1.549 57.642 56.048 0.075 0.000 1.406 280 H CB 0.559 30.375 29.762 0.091 0.000 1.377 280 H HN 0.968 nan 8.280 nan 0.000 0.556 281 A N 6.863 129.780 122.820 0.162 0.000 2.289 281 A HA 0.278 4.598 4.320 -0.000 0.000 0.298 281 A C -1.512 176.103 177.584 0.053 0.000 1.208 281 A CA -1.212 50.855 52.037 0.049 0.000 0.845 281 A CB 0.688 19.715 19.000 0.046 0.000 1.125 281 A HN 0.552 nan 8.150 nan 0.000 0.517 282 P HA 0.156 nan 4.420 nan 0.000 0.290 282 P C -0.568 176.678 177.300 -0.090 0.000 1.447 282 P CA 0.165 63.145 63.100 -0.199 0.000 1.127 282 P CB 0.577 31.945 31.700 -0.553 0.000 1.555 283 D N -0.552 119.846 120.400 -0.004 0.000 2.525 283 D HA 0.027 4.667 4.640 -0.000 0.000 0.229 283 D C 1.292 177.621 176.300 0.048 0.000 1.202 283 D CA -0.649 53.361 54.000 0.017 0.000 0.828 283 D CB -0.511 40.293 40.800 0.007 0.000 1.008 283 D HN -0.017 nan 8.370 nan 0.000 0.493 284 I N 0.481 121.098 120.570 0.077 0.000 2.567 284 I HA -0.092 4.078 4.170 -0.000 0.000 0.257 284 I C 1.651 177.816 176.117 0.080 0.000 1.184 284 I CA 0.721 62.080 61.300 0.098 0.000 1.451 284 I CB -0.177 37.897 38.000 0.122 0.000 1.089 284 I HN 0.198 nan 8.210 nan 0.000 0.441 285 I N 0.371 120.996 120.570 0.091 0.000 2.454 285 I HA -0.311 3.859 4.170 -0.000 0.000 0.254 285 I C 2.182 178.372 176.117 0.122 0.000 1.156 285 I CA 1.765 63.151 61.300 0.142 0.000 1.433 285 I CB -0.328 37.769 38.000 0.162 0.000 1.082 285 I HN 0.486 nan 8.210 nan 0.000 0.432 286 T N -1.234 113.375 114.554 0.091 0.000 3.025 286 T HA -0.044 4.306 4.350 -0.000 0.000 0.270 286 T C 1.838 176.622 174.700 0.140 0.000 1.126 286 T CA 0.785 62.944 62.100 0.099 0.000 1.105 286 T CB -0.546 68.373 68.868 0.084 0.000 0.884 286 T HN 0.404 nan 8.240 nan 0.000 0.522 287 A N 1.330 124.207 122.820 0.094 0.000 2.024 287 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 287 A C 2.693 180.356 177.584 0.131 0.000 1.164 287 A CA 1.404 53.495 52.037 0.090 0.000 0.643 287 A CB -1.588 17.401 19.000 -0.018 0.000 0.806 287 A HN 1.015 nan 8.150 nan 0.000 0.451 288 C N -1.743 117.581 119.300 0.041 0.000 2.443 288 C HA 0.361 4.821 4.460 -0.000 0.000 0.290 288 C C 2.378 177.385 174.990 0.030 0.000 1.476 288 C CA 0.125 59.136 59.018 -0.012 0.000 1.772 288 C CB -1.774 25.949 27.740 -0.027 0.000 1.714 288 C HN 0.650 nan 8.230 nan 0.000 0.562 289 A N -0.641 122.212 122.820 0.055 0.000 2.178 289 A HA 0.164 4.484 4.320 -0.000 0.000 0.211 289 A C 0.888 178.342 177.584 -0.217 0.000 1.157 289 A CA 0.128 52.112 52.037 -0.088 0.000 0.780 289 A CB -0.572 18.332 19.000 -0.161 0.000 0.828 289 A HN 0.861 nan 8.150 nan 0.000 0.476 290 H N 0.009 119.063 119.070 -0.027 0.000 2.487 290 H HA 0.169 4.725 4.556 -0.000 0.000 0.333 290 H C -1.667 173.641 175.328 -0.035 0.000 1.114 290 H CA -1.590 54.441 56.048 -0.028 0.000 1.310 290 H CB 1.216 30.960 29.762 -0.030 0.000 1.462 290 H HN 0.148 nan 8.280 nan 0.000 0.516 291 P HA -0.146 nan 4.420 nan 0.000 0.222 291 P C 0.769 178.075 177.300 0.011 0.000 1.147 291 P CA 1.098 64.206 63.100 0.014 0.000 0.790 291 P CB 0.364 32.065 31.700 0.002 0.000 0.780 292 N N -0.582 118.135 118.700 0.029 0.000 2.336 292 N HA 0.016 4.756 4.740 -0.000 0.000 0.189 292 N C 0.292 175.789 175.510 -0.022 0.000 1.113 292 N CA 0.089 53.137 53.050 -0.004 0.000 0.858 292 N CB -0.048 38.435 38.487 -0.006 0.000 0.970 292 N HN 0.081 nan 8.380 nan 0.000 0.471 293 I N 1.986 122.552 120.570 -0.006 0.000 2.331 293 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 293 I C 0.002 176.085 176.117 -0.056 0.000 0.998 293 I CA -0.934 60.347 61.300 -0.032 0.000 1.267 293 I CB 1.319 39.309 38.000 -0.015 0.000 1.386 293 I HN -0.043 nan 8.210 nan 0.000 0.476 294 L N 8.739 129.919 121.223 -0.071 0.000 2.297 294 L HA 0.382 4.722 4.340 -0.000 0.000 0.277 294 L C -2.268 174.557 176.870 -0.074 0.000 1.040 294 L CA -1.536 53.237 54.840 -0.110 0.000 0.867 294 L CB 1.053 43.006 42.059 -0.177 0.000 1.244 294 L HN 0.331 nan 8.230 nan 0.000 0.433 295 P HA 0.259 nan 4.420 nan 0.000 0.290 295 P C -0.818 176.378 177.300 -0.174 0.000 1.276 295 P CA -0.271 62.693 63.100 -0.227 0.000 0.808 295 P CB 1.888 33.279 31.700 -0.516 0.000 0.966 296 S N 1.473 117.162 115.700 -0.019 0.000 2.595 296 S HA 0.693 5.163 4.470 -0.000 0.000 0.281 296 S C -0.493 174.254 174.600 0.246 0.000 1.117 296 S CA -0.666 57.641 58.200 0.178 0.000 0.873 296 S CB 1.240 64.683 63.200 0.405 0.000 1.108 296 S HN 0.315 nan 8.310 nan 0.000 0.477 297 S N 1.215 117.159 115.700 0.407 0.000 2.621 297 S HA 0.821 5.291 4.470 -0.000 0.000 0.302 297 S C -0.095 174.641 174.600 0.226 0.000 1.093 297 S CA -0.728 57.721 58.200 0.415 0.000 1.017 297 S CB 1.554 65.079 63.200 0.542 0.000 1.077 297 S HN 0.998 nan 8.310 nan 0.000 0.517 298 T N -0.150 114.499 114.554 0.158 0.000 2.943 298 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 298 T C 0.899 175.611 174.700 0.021 0.000 1.015 298 T CA -0.893 61.219 62.100 0.019 0.000 1.042 298 T CB 0.710 69.550 68.868 -0.048 0.000 1.055 298 T HN 0.573 nan 8.240 nan 0.000 0.500 299 N N 0.614 119.293 118.700 -0.035 0.000 2.457 299 N HA 0.017 4.757 4.740 -0.000 0.000 0.180 299 N C -0.878 174.628 175.510 -0.006 0.000 1.050 299 N CA -0.108 52.923 53.050 -0.031 0.000 0.906 299 N CB -1.292 37.156 38.487 -0.067 0.000 0.968 299 N HN 0.448 nan 8.380 nan 0.000 0.445 300 P HA -0.056 nan 4.420 nan 0.000 0.226 300 P C 0.588 177.981 177.300 0.155 0.000 1.153 300 P CA 1.317 64.465 63.100 0.080 0.000 0.777 300 P CB -0.221 31.517 31.700 0.063 0.000 0.794 301 T N -3.425 111.181 114.554 0.086 0.000 3.107 301 T HA 0.216 4.566 4.350 -0.000 0.000 0.249 301 T C 0.720 175.434 174.700 0.023 0.000 1.096 301 T CA -0.100 62.000 62.100 0.001 0.000 1.012 301 T CB -0.494 68.327 68.868 -0.078 0.000 0.977 301 T HN -0.010 nan 8.240 nan 0.000 0.527 302 L N 3.269 124.507 121.223 0.025 0.000 2.280 302 L HA 0.523 4.863 4.340 -0.000 0.000 0.287 302 L C -2.417 174.464 176.870 0.018 0.000 1.023 302 L CA -2.347 52.499 54.840 0.011 0.000 0.819 302 L CB 1.714 43.750 42.059 -0.038 0.000 1.212 302 L HN -0.009 nan 8.230 nan 0.000 0.420 303 P HA 0.119 nan 4.420 nan 0.000 0.289 303 P C -1.338 176.042 177.300 0.132 0.000 1.300 303 P CA -0.704 62.443 63.100 0.079 0.000 0.828 303 P CB 1.049 32.798 31.700 0.082 0.000 1.235 304 Y N 1.482 121.778 120.300 -0.008 0.000 2.496 304 Y HA 0.310 4.860 4.550 -0.000 0.000 0.334 304 Y C 0.341 176.241 175.900 -0.000 0.000 1.080 304 Y CA 0.184 58.274 58.100 -0.017 0.000 1.355 304 Y CB -0.650 37.798 38.460 -0.020 0.000 1.193 304 Y HN 0.403 nan 8.280 nan 0.000 0.523 305 T N 2.560 117.079 114.554 -0.057 0.000 2.831 305 T HA 0.408 4.758 4.350 -0.000 0.000 0.287 305 T C 0.942 175.510 174.700 -0.219 0.000 1.070 305 T CA -0.834 61.163 62.100 -0.170 0.000 1.010 305 T CB 0.802 69.646 68.868 -0.040 0.000 1.264 305 T HN 0.558 nan 8.240 nan 0.000 0.532 306 L N 0.416 121.548 121.223 -0.152 0.000 2.141 306 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 306 L C 2.094 178.947 176.870 -0.030 0.000 1.094 306 L CA 0.965 55.743 54.840 -0.105 0.000 0.763 306 L CB -0.427 41.587 42.059 -0.074 0.000 0.908 306 L HN 0.644 nan 8.230 nan 0.000 0.437 307 N N -1.131 117.566 118.700 -0.005 0.000 2.280 307 N HA -0.010 4.730 4.740 -0.000 0.000 0.192 307 N C 1.550 177.100 175.510 0.067 0.000 1.109 307 N CA 0.418 53.483 53.050 0.025 0.000 0.855 307 N CB 0.348 38.845 38.487 0.016 0.000 0.974 307 N HN 0.222 nan 8.380 nan 0.000 0.482 308 T N 1.961 116.570 114.554 0.091 0.000 2.635 308 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 308 T C 1.969 176.773 174.700 0.172 0.000 1.040 308 T CA 0.764 62.956 62.100 0.153 0.000 1.156 308 T CB 0.090 69.056 68.868 0.163 0.000 0.863 308 T HN 0.120 nan 8.240 nan 0.000 0.430 309 I N 1.777 122.418 120.570 0.119 0.000 2.252 309 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 309 I C 2.024 178.198 176.117 0.096 0.000 1.102 309 I CA 1.484 62.837 61.300 0.089 0.000 1.385 309 I CB -1.380 36.666 38.000 0.078 0.000 1.064 309 I HN 0.276 nan 8.210 nan 0.000 0.414 310 D N 0.792 121.237 120.400 0.075 0.000 2.104 310 D HA -0.251 4.389 4.640 -0.000 0.000 0.194 310 D C 2.141 178.466 176.300 0.042 0.000 0.994 310 D CA 1.513 55.542 54.000 0.048 0.000 0.830 310 D CB -0.184 40.635 40.800 0.033 0.000 0.959 310 D HN 0.512 nan 8.370 nan 0.000 0.452 311 E N -0.025 120.207 120.200 0.054 0.000 2.110 311 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 311 E C 1.644 178.219 176.600 -0.041 0.000 0.988 311 E CA 1.062 57.464 56.400 0.003 0.000 0.804 311 E CB -0.073 29.628 29.700 0.002 0.000 0.745 311 E HN 0.417 nan 8.360 nan 0.000 0.458 312 H N 0.540 119.587 119.070 -0.037 0.000 2.357 312 H HA -0.018 4.538 4.556 -0.000 0.000 0.301 312 H C 2.131 177.417 175.328 -0.070 0.000 1.082 312 H CA 1.785 57.799 56.048 -0.057 0.000 1.342 312 H CB -0.090 29.639 29.762 -0.055 0.000 1.389 312 H HN 0.139 nan 8.280 nan 0.000 0.511 313 L N -0.038 121.214 121.223 0.048 0.000 2.043 313 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 313 L C 1.926 178.772 176.870 -0.040 0.000 1.075 313 L CA 1.438 56.275 54.840 -0.005 0.000 0.752 313 L CB -0.270 41.791 42.059 0.004 0.000 0.891 313 L HN 0.344 nan 8.230 nan 0.000 0.432 314 D N -0.677 119.695 120.400 -0.046 0.000 2.249 314 D HA -0.120 4.520 4.640 -0.000 0.000 0.205 314 D C 2.192 178.435 176.300 -0.095 0.000 0.962 314 D CA 0.765 54.729 54.000 -0.061 0.000 0.860 314 D CB 0.208 40.977 40.800 -0.051 0.000 0.955 314 D HN 0.297 nan 8.370 nan 0.000 0.505 315 M N 0.397 119.914 119.600 -0.138 0.000 2.132 315 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 315 M C 0.532 176.732 176.300 -0.168 0.000 1.065 315 M CA 0.640 55.828 55.300 -0.185 0.000 1.122 315 M CB 0.144 32.564 32.600 -0.300 0.000 1.365 315 M HN -0.104 nan 8.290 nan 0.000 0.411 316 L N 2.291 123.424 121.223 -0.150 0.000 2.415 316 L HA 0.081 4.420 4.340 -0.000 0.000 0.269 316 L C -0.146 176.656 176.870 -0.114 0.000 1.244 316 L CA 0.336 55.091 54.840 -0.141 0.000 1.113 316 L CB 0.123 42.090 42.059 -0.154 0.000 1.352 316 L HN 0.451 nan 8.230 nan 0.000 0.433 317 M N 1.545 121.086 119.600 -0.098 0.000 1.402 317 M HA -0.038 4.442 4.480 -0.000 0.000 0.167 317 M C 1.327 177.584 176.300 -0.073 0.000 1.121 317 M CA 0.783 56.050 55.300 -0.055 0.000 0.631 317 M CB -0.441 32.132 32.600 -0.044 0.000 1.658 317 M HN 0.094 nan 8.290 nan 0.000 0.639 318 V N 0.896 120.752 119.914 -0.097 0.000 2.380 318 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 318 V C 2.457 178.428 176.094 -0.204 0.000 1.063 318 V CA 2.471 64.700 62.300 -0.118 0.000 1.055 318 V CB -0.978 30.770 31.823 -0.126 0.000 0.657 318 V HN 0.763 nan 8.190 nan 0.000 0.455 319 C N 0.777 119.942 119.300 -0.226 0.000 2.491 319 C HA -0.043 4.417 4.460 -0.000 0.000 0.283 319 C C 2.950 177.675 174.990 -0.442 0.000 1.238 319 C CA 0.968 59.806 59.018 -0.301 0.000 1.735 319 C CB -1.208 26.401 27.740 -0.219 0.000 2.080 319 C HN 0.554 nan 8.230 nan 0.000 0.463 320 A N -0.994 121.673 122.820 -0.256 0.000 2.248 320 A HA 0.046 4.366 4.320 -0.000 0.000 0.210 320 A C 0.669 178.166 177.584 -0.145 0.000 1.174 320 A CA 1.068 52.995 52.037 -0.183 0.000 0.750 320 A CB -0.819 18.197 19.000 0.026 0.000 0.780 320 A HN 0.924 nan 8.150 nan 0.000 0.478 321 H N -2.118 116.946 119.070 -0.010 0.000 2.882 321 H HA -0.125 4.431 4.556 -0.000 0.000 0.314 321 H C -0.201 175.130 175.328 0.006 0.000 1.270 321 H CA 0.932 56.972 56.048 -0.014 0.000 1.165 321 H CB -2.359 27.387 29.762 -0.026 0.000 1.436 321 H HN 0.493 nan 8.280 nan 0.000 0.431 322 L N 0.134 121.412 121.223 0.092 0.000 2.448 322 L HA 0.484 4.824 4.340 -0.000 0.000 0.258 322 L C 0.851 177.762 176.870 0.069 0.000 1.104 322 L CA -0.441 54.457 54.840 0.097 0.000 0.800 322 L CB 0.819 42.961 42.059 0.137 0.000 1.241 322 L HN 0.027 nan 8.230 nan 0.000 0.472 323 D N 0.196 120.637 120.400 0.067 0.000 2.542 323 D HA 0.249 4.889 4.640 -0.000 0.000 0.252 323 D C -1.903 174.426 176.300 0.048 0.000 1.222 323 D CA -1.897 52.130 54.000 0.046 0.000 0.895 323 D CB 2.120 42.940 40.800 0.033 0.000 1.207 323 D HN 0.099 nan 8.370 nan 0.000 0.558 324 P HA -0.096 nan 4.420 nan 0.000 0.225 324 P C 0.458 177.777 177.300 0.031 0.000 1.148 324 P CA 0.733 63.854 63.100 0.034 0.000 0.779 324 P CB 0.785 32.497 31.700 0.020 0.000 0.780 325 D N 0.274 120.689 120.400 0.026 0.000 2.162 325 D HA 0.041 4.681 4.640 -0.000 0.000 0.205 325 D C 1.162 177.476 176.300 0.023 0.000 0.964 325 D CA 0.443 54.455 54.000 0.021 0.000 0.847 325 D CB -0.158 40.651 40.800 0.015 0.000 0.988 325 D HN 0.247 nan 8.370 nan 0.000 0.480 326 I N 1.975 122.560 120.570 0.025 0.000 2.494 326 I HA -0.022 4.148 4.170 -0.000 0.000 0.289 326 I C 1.667 177.803 176.117 0.032 0.000 1.106 326 I CA -0.476 60.836 61.300 0.021 0.000 1.369 326 I CB 1.390 39.399 38.000 0.015 0.000 1.410 326 I HN -0.112 nan 8.210 nan 0.000 0.523 327 A N 5.646 128.482 122.820 0.027 0.000 1.903 327 A HA -0.238 4.081 4.320 -0.000 0.000 0.219 327 A C 2.041 179.652 177.584 0.045 0.000 1.191 327 A CA 1.808 53.867 52.037 0.037 0.000 0.638 327 A CB -0.409 18.608 19.000 0.028 0.000 0.823 327 A HN 0.767 nan 8.150 nan 0.000 0.451 328 E N -0.007 120.201 120.200 0.014 0.000 2.265 328 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 328 E C 1.168 177.743 176.600 -0.040 0.000 0.996 328 E CA 1.206 57.591 56.400 -0.025 0.000 0.832 328 E CB -0.221 29.439 29.700 -0.066 0.000 0.756 328 E HN 0.595 nan 8.360 nan 0.000 0.491 329 D N -1.284 119.133 120.400 0.029 0.000 2.347 329 D HA -0.051 4.588 4.640 -0.000 0.000 0.213 329 D C 1.493 177.971 176.300 0.297 0.000 0.985 329 D CA 0.633 54.703 54.000 0.116 0.000 0.879 329 D CB 0.600 41.451 40.800 0.084 0.000 0.919 329 D HN 0.246 nan 8.370 nan 0.000 0.526 330 V N -3.554 116.493 119.914 0.221 0.000 3.572 330 V HA 0.440 4.560 4.120 -0.000 0.000 0.260 330 V C 1.994 178.213 176.094 0.207 0.000 1.324 330 V CA 0.460 62.877 62.300 0.195 0.000 1.068 330 V CB 0.117 32.000 31.823 0.100 0.000 0.837 330 V HN -0.012 nan 8.190 nan 0.000 0.450 331 A N 1.895 124.844 122.820 0.216 0.000 1.933 331 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 331 A C 1.927 179.667 177.584 0.260 0.000 1.175 331 A CA 2.151 54.298 52.037 0.184 0.000 0.628 331 A CB -0.826 18.252 19.000 0.130 0.000 0.814 331 A HN 1.016 nan 8.150 nan 0.000 0.444 332 F N -0.517 119.448 119.950 0.025 0.000 2.780 332 F HA 0.492 5.019 4.527 -0.000 0.000 0.299 332 F C 1.935 177.742 175.800 0.011 0.000 1.146 332 F CA -0.183 57.830 58.000 0.022 0.000 1.428 332 F CB -1.149 37.862 39.000 0.018 0.000 1.115 332 F HN 0.170 nan 8.300 nan 0.000 0.583 333 A N 1.124 123.829 122.820 -0.192 0.000 1.883 333 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 333 A C 2.240 179.732 177.584 -0.153 0.000 1.186 333 A CA 1.808 53.658 52.037 -0.311 0.000 0.624 333 A CB -0.885 18.030 19.000 -0.141 0.000 0.822 333 A HN 0.503 nan 8.150 nan 0.000 0.444 334 E N 0.023 120.203 120.200 -0.033 0.000 2.268 334 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 334 E C 2.233 178.848 176.600 0.025 0.000 0.995 334 E CA 1.176 57.584 56.400 0.014 0.000 0.836 334 E CB -0.114 29.623 29.700 0.060 0.000 0.763 334 E HN 0.804 nan 8.360 nan 0.000 0.491 335 S N 0.252 115.962 115.700 0.016 0.000 2.470 335 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 335 S C 1.892 176.407 174.600 -0.141 0.000 1.006 335 S CA 0.279 58.473 58.200 -0.010 0.000 0.934 335 S CB 0.148 63.400 63.200 0.086 0.000 0.778 335 S HN 0.076 nan 8.310 nan 0.000 0.517 336 R N 0.320 120.721 120.500 -0.165 0.000 2.156 336 R HA 0.389 4.729 4.340 -0.000 0.000 0.207 336 R C -0.100 176.091 176.300 -0.183 0.000 1.040 336 R CA 0.367 56.343 56.100 -0.207 0.000 1.013 336 R CB 0.115 30.218 30.300 -0.329 0.000 0.931 336 R HN 0.398 nan 8.270 nan 0.000 0.465 337 I N 2.388 122.870 120.570 -0.148 0.000 2.306 337 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 337 I C -0.738 175.324 176.117 -0.093 0.000 1.036 337 I CA -0.372 60.857 61.300 -0.118 0.000 1.221 337 I CB 1.405 39.363 38.000 -0.070 0.000 1.385 337 I HN 0.003 nan 8.210 nan 0.000 0.472 338 R N 5.011 125.438 120.500 -0.122 0.000 2.476 338 R HA 0.373 4.713 4.340 -0.000 0.000 0.305 338 R C 0.914 177.149 176.300 -0.107 0.000 0.965 338 R CA -0.792 55.266 56.100 -0.070 0.000 0.867 338 R CB 2.142 32.371 30.300 -0.119 0.000 1.176 338 R HN 0.493 nan 8.270 nan 0.000 0.447 339 R N 1.962 122.418 120.500 -0.073 0.000 2.103 339 R HA -0.228 4.112 4.340 -0.000 0.000 0.242 339 R C 0.605 176.773 176.300 -0.220 0.000 1.142 339 R CA 1.989 57.995 56.100 -0.156 0.000 0.960 339 R CB 0.234 30.518 30.300 -0.026 0.000 0.858 339 R HN 0.591 nan 8.270 nan 0.000 0.439 340 E N -0.438 119.713 120.200 -0.082 0.000 2.070 340 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 340 E C 2.009 178.544 176.600 -0.108 0.000 1.004 340 E CA 2.392 58.757 56.400 -0.059 0.000 0.805 340 E CB -0.261 29.469 29.700 0.051 0.000 0.744 340 E HN 0.610 nan 8.360 nan 0.000 0.451 341 T N -1.404 113.083 114.554 -0.112 0.000 2.985 341 T HA 0.045 4.395 4.350 -0.000 0.000 0.266 341 T C 1.971 176.559 174.700 -0.186 0.000 1.076 341 T CA 0.448 62.477 62.100 -0.118 0.000 1.135 341 T CB -0.237 68.578 68.868 -0.089 0.000 0.890 341 T HN 0.039 nan 8.240 nan 0.000 0.480 342 I N 1.628 122.036 120.570 -0.270 0.000 2.315 342 I HA -0.066 4.104 4.170 -0.000 0.000 0.248 342 I C 3.073 178.923 176.117 -0.445 0.000 1.117 342 I CA 1.194 62.282 61.300 -0.354 0.000 1.404 342 I CB -0.422 37.314 38.000 -0.439 0.000 1.071 342 I HN 0.356 nan 8.210 nan 0.000 0.419 343 A N 0.456 122.945 122.820 -0.552 0.000 1.970 343 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 343 A C 2.497 179.985 177.584 -0.160 0.000 1.170 343 A CA 1.261 53.056 52.037 -0.404 0.000 0.645 343 A CB -0.515 18.282 19.000 -0.337 0.000 0.816 343 A HN 0.385 nan 8.150 nan 0.000 0.447 344 A N -0.035 122.689 122.820 -0.160 0.000 1.969 344 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 344 A C 1.955 179.427 177.584 -0.187 0.000 1.169 344 A CA 1.635 53.599 52.037 -0.123 0.000 0.635 344 A CB -0.498 18.444 19.000 -0.097 0.000 0.810 344 A HN 0.668 nan 8.150 nan 0.000 0.445 345 E N 0.112 120.159 120.200 -0.255 0.000 2.070 345 E HA -0.291 4.059 4.350 -0.000 0.000 0.197 345 E C 1.242 177.690 176.600 -0.253 0.000 1.004 345 E CA 1.672 57.816 56.400 -0.427 0.000 0.805 345 E CB -0.188 29.326 29.700 -0.309 0.000 0.744 345 E HN 0.534 nan 8.360 nan 0.000 0.451 346 D N -0.041 120.313 120.400 -0.077 0.000 2.104 346 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 346 D C 2.087 178.422 176.300 0.057 0.000 0.994 346 D CA 1.308 55.336 54.000 0.046 0.000 0.830 346 D CB -0.270 40.575 40.800 0.076 0.000 0.959 346 D HN 0.134 nan 8.370 nan 0.000 0.452 347 V N 1.040 120.955 119.914 0.002 0.000 2.343 347 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 347 V C 2.625 178.711 176.094 -0.015 0.000 1.051 347 V CA 1.066 63.376 62.300 0.017 0.000 1.036 347 V CB -0.490 31.334 31.823 0.002 0.000 0.654 347 V HN 0.208 nan 8.190 nan 0.000 0.451 348 L N -0.892 120.255 121.223 -0.126 0.000 2.131 348 L HA -0.207 4.132 4.340 -0.000 0.000 0.210 348 L C 2.472 179.244 176.870 -0.164 0.000 1.092 348 L CA 1.687 56.422 54.840 -0.175 0.000 0.759 348 L CB -0.717 41.116 42.059 -0.377 0.000 0.903 348 L HN 0.411 nan 8.230 nan 0.000 0.435 349 H N -0.951 118.031 119.070 -0.148 0.000 2.333 349 H HA -0.175 4.381 4.556 -0.000 0.000 0.302 349 H C 1.962 177.195 175.328 -0.158 0.000 1.075 349 H CA 1.659 57.629 56.048 -0.131 0.000 1.348 349 H CB 0.114 29.796 29.762 -0.134 0.000 1.393 349 H HN 0.190 nan 8.280 nan 0.000 0.509 350 D N 0.008 120.491 120.400 0.138 0.000 2.182 350 D HA -0.120 4.519 4.640 -0.000 0.000 0.201 350 D C 1.652 178.028 176.300 0.127 0.000 0.986 350 D CA 0.793 54.922 54.000 0.215 0.000 0.847 350 D CB -0.029 40.920 40.800 0.248 0.000 0.942 350 D HN 0.323 nan 8.370 nan 0.000 0.467 351 L N -1.490 119.777 121.223 0.074 0.000 2.492 351 L HA 0.210 4.550 4.340 -0.000 0.000 0.223 351 L C 1.657 178.567 176.870 0.065 0.000 1.132 351 L CA 0.542 55.426 54.840 0.073 0.000 0.850 351 L CB -0.009 42.080 42.059 0.050 0.000 0.966 351 L HN 0.253 nan 8.230 nan 0.000 0.454 352 G N -0.598 108.217 108.800 0.025 0.000 2.141 352 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.231 352 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.231 352 G C 0.929 175.844 174.900 0.025 0.000 0.984 352 G CA 0.393 45.506 45.100 0.022 0.000 0.660 352 G HN 0.390 nan 8.290 nan 0.000 0.525 353 A N -0.795 122.048 122.820 0.038 0.000 1.930 353 A HA 0.594 4.914 4.320 -0.000 0.000 0.215 353 A C 0.735 178.400 177.584 0.135 0.000 1.176 353 A CA 0.924 53.014 52.037 0.089 0.000 0.632 353 A CB -0.017 19.058 19.000 0.125 0.000 0.819 353 A HN 0.610 nan 8.150 nan 0.000 0.445 354 F N -0.016 119.764 119.950 -0.283 0.000 2.410 354 F HA 0.418 4.945 4.527 -0.000 0.000 0.349 354 F C 1.210 176.833 175.800 -0.295 0.000 1.117 354 F CA -0.777 56.983 58.000 -0.401 0.000 1.104 354 F CB 1.867 40.291 39.000 -0.960 0.000 1.122 354 F HN -0.020 nan 8.300 nan 0.000 0.483 355 S N 2.550 118.225 115.700 -0.041 0.000 2.502 355 S HA 0.318 4.787 4.470 -0.000 0.000 0.215 355 S C -0.112 174.516 174.600 0.047 0.000 1.009 355 S CA 0.084 58.278 58.200 -0.010 0.000 0.908 355 S CB 0.229 63.395 63.200 -0.057 0.000 0.801 355 S HN 0.260 nan 8.310 nan 0.000 0.505 356 L N 1.156 122.454 121.223 0.125 0.000 2.359 356 L HA 0.591 4.931 4.340 -0.000 0.000 0.256 356 L C -0.203 176.832 176.870 0.274 0.000 1.026 356 L CA -0.398 54.536 54.840 0.157 0.000 0.828 356 L CB 1.923 44.037 42.059 0.092 0.000 1.406 356 L HN 0.018 nan 8.230 nan 0.000 0.413 357 T N -2.122 112.550 114.554 0.196 0.000 2.876 357 T HA 0.925 5.275 4.350 -0.000 0.000 0.289 357 T C -0.463 174.308 174.700 0.118 0.000 1.014 357 T CA -0.551 61.635 62.100 0.143 0.000 0.986 357 T CB 1.798 70.685 68.868 0.030 0.000 1.021 357 T HN 0.757 nan 8.240 nan 0.000 0.458 358 S N 0.799 116.543 115.700 0.074 0.000 2.776 358 S HA 0.712 5.182 4.470 -0.000 0.000 0.292 358 S C 0.912 175.478 174.600 -0.057 0.000 1.187 358 S CA -0.101 58.117 58.200 0.029 0.000 0.834 358 S CB 1.212 64.452 63.200 0.067 0.000 1.199 358 S HN 1.114 nan 8.310 nan 0.000 0.514 359 S N -0.013 115.621 115.700 -0.110 0.000 2.433 359 S HA 0.266 4.736 4.470 -0.000 0.000 0.216 359 S C 0.229 174.671 174.600 -0.263 0.000 1.031 359 S CA 1.106 59.213 58.200 -0.154 0.000 0.931 359 S CB -0.725 62.396 63.200 -0.133 0.000 0.875 359 S HN 1.206 nan 8.310 nan 0.000 0.553 360 D N 1.554 121.731 120.400 -0.372 0.000 2.838 360 D HA -0.125 4.515 4.640 -0.000 0.000 0.237 360 D C -0.456 175.707 176.300 -0.228 0.000 1.059 360 D CA 0.691 54.362 54.000 -0.548 0.000 0.763 360 D CB -1.871 38.540 40.800 -0.649 0.000 1.070 360 D HN 0.650 nan 8.370 nan 0.000 0.437 361 S N 0.916 116.540 115.700 -0.126 0.000 2.737 361 S HA 0.037 4.507 4.470 -0.000 0.000 0.315 361 S C 1.069 175.584 174.600 -0.142 0.000 1.236 361 S CA 0.984 59.112 58.200 -0.121 0.000 1.093 361 S CB 0.919 64.047 63.200 -0.120 0.000 0.832 361 S HN 0.455 nan 8.310 nan 0.000 0.507 362 Q N 0.063 119.770 119.800 -0.156 0.000 2.468 362 Q HA -0.278 4.062 4.340 -0.000 0.000 0.256 362 Q C 0.291 176.141 176.000 -0.249 0.000 0.984 362 Q CA 1.070 56.776 55.803 -0.161 0.000 1.110 362 Q CB -2.022 26.666 28.738 -0.084 0.000 1.527 362 Q HN 1.234 nan 8.270 nan 0.000 0.535 363 A N 0.171 122.785 122.820 -0.343 0.000 3.415 363 A HA 0.577 4.897 4.320 -0.000 0.000 0.244 363 A C 0.387 177.798 177.584 -0.288 0.000 0.988 363 A CA 0.121 51.909 52.037 -0.415 0.000 0.991 363 A CB 0.425 18.891 19.000 -0.890 0.000 1.240 363 A HN 0.338 nan 8.150 nan 0.000 0.541 364 M N -1.249 118.211 119.600 -0.235 0.000 2.665 364 M HA -0.146 4.334 4.480 -0.000 0.000 0.217 364 M C 0.206 176.398 176.300 -0.180 0.000 0.487 364 M CA 0.960 56.139 55.300 -0.200 0.000 0.657 364 M CB -1.512 30.991 32.600 -0.161 0.000 2.412 364 M HN 1.220 nan 8.290 nan 0.000 0.767 365 G N 0.506 109.194 108.800 -0.186 0.000 2.616 365 G HA2 0.681 4.641 3.960 -0.000 0.000 0.294 365 G HA3 0.681 4.641 3.960 -0.000 0.000 0.294 365 G C -1.365 173.445 174.900 -0.150 0.000 1.489 365 G CA -1.125 43.875 45.100 -0.166 0.000 0.836 365 G HN 0.259 nan 8.290 nan 0.000 0.527 366 R N 1.668 122.090 120.500 -0.129 0.000 2.275 366 R HA 0.365 4.705 4.340 -0.000 0.000 0.326 366 R C 1.086 177.318 176.300 -0.112 0.000 0.973 366 R CA -0.701 55.327 56.100 -0.119 0.000 0.854 366 R CB 1.930 32.160 30.300 -0.117 0.000 1.156 366 R HN 0.328 nan 8.270 nan 0.000 0.487 367 V N 2.786 122.636 119.914 -0.106 0.000 2.546 367 V HA -0.185 3.935 4.120 -0.000 0.000 0.254 367 V C 1.459 177.504 176.094 -0.082 0.000 1.076 367 V CA 2.588 64.830 62.300 -0.097 0.000 1.087 367 V CB -0.085 31.686 31.823 -0.088 0.000 0.674 367 V HN 0.987 nan 8.190 nan 0.000 0.470 368 G N -1.408 107.343 108.800 -0.081 0.000 3.337 368 G HA2 0.131 4.091 3.960 -0.000 0.000 0.246 368 G HA3 0.131 4.091 3.960 -0.000 0.000 0.246 368 G C 0.724 175.579 174.900 -0.075 0.000 1.131 368 G CA 0.087 45.146 45.100 -0.069 0.000 0.773 368 G HN 0.615 nan 8.290 nan 0.000 0.544 369 E N 0.200 120.342 120.200 -0.096 0.000 2.789 369 E HA 0.162 4.512 4.350 -0.000 0.000 0.208 369 E C 1.313 177.839 176.600 -0.123 0.000 0.988 369 E CA -0.229 56.110 56.400 -0.102 0.000 1.092 369 E CB 1.173 30.806 29.700 -0.111 0.000 1.066 369 E HN 0.182 nan 8.360 nan 0.000 0.465 370 V N 0.737 120.564 119.914 -0.145 0.000 2.379 370 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 370 V C 2.112 178.004 176.094 -0.337 0.000 1.044 370 V CA 1.440 63.625 62.300 -0.192 0.000 1.036 370 V CB -0.214 31.513 31.823 -0.160 0.000 0.664 370 V HN 0.384 nan 8.190 nan 0.000 0.453 371 I N -0.441 119.879 120.570 -0.417 0.000 2.193 371 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 371 I C 2.443 178.402 176.117 -0.263 0.000 1.084 371 I CA 1.471 62.402 61.300 -0.615 0.000 1.365 371 I CB -0.363 37.380 38.000 -0.428 0.000 1.064 371 I HN 0.280 nan 8.210 nan 0.000 0.410 372 L N 1.133 122.282 121.223 -0.124 0.000 1.997 372 L HA -0.290 4.050 4.340 -0.000 0.000 0.216 372 L C 2.860 179.715 176.870 -0.024 0.000 1.074 372 L CA 1.847 56.670 54.840 -0.028 0.000 0.763 372 L CB -0.287 41.763 42.059 -0.015 0.000 0.890 372 L HN 0.150 nan 8.230 nan 0.000 0.434 373 R N -1.245 119.208 120.500 -0.079 0.000 2.115 373 R HA -0.108 4.232 4.340 -0.000 0.000 0.230 373 R C 2.108 178.351 176.300 -0.095 0.000 1.111 373 R CA 1.654 57.714 56.100 -0.067 0.000 0.976 373 R CB -0.475 29.783 30.300 -0.071 0.000 0.870 373 R HN 0.435 nan 8.270 nan 0.000 0.445 374 T N -0.177 114.261 114.554 -0.194 0.000 2.746 374 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 374 T C 1.217 175.751 174.700 -0.278 0.000 1.039 374 T CA 1.318 63.267 62.100 -0.251 0.000 1.142 374 T CB -0.191 68.468 68.868 -0.348 0.000 0.866 374 T HN 0.444 nan 8.240 nan 0.000 0.444 375 W N 1.488 122.794 121.300 0.010 0.000 2.436 375 W HA 0.023 4.683 4.660 -0.000 0.000 0.284 375 W C 2.632 179.120 176.519 -0.052 0.000 1.225 375 W CA 0.011 57.336 57.345 -0.034 0.000 1.271 375 W CB -0.235 29.210 29.460 -0.025 0.000 1.114 375 W HN 0.299 nan 8.180 nan 0.000 0.559 376 Q N 0.040 119.921 119.800 0.135 0.000 2.124 376 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 376 Q C 2.138 178.199 176.000 0.102 0.000 0.977 376 Q CA 1.690 57.552 55.803 0.099 0.000 0.850 376 Q CB -0.511 28.257 28.738 0.049 0.000 0.901 376 Q HN 0.188 nan 8.270 nan 0.000 0.429 377 V N 0.860 120.799 119.914 0.042 0.000 2.343 377 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 377 V C 2.260 178.329 176.094 -0.042 0.000 1.051 377 V CA 1.786 64.115 62.300 0.048 0.000 1.036 377 V CB -0.974 30.903 31.823 0.090 0.000 0.654 377 V HN 0.395 nan 8.190 nan 0.000 0.451 378 A N -0.106 122.535 122.820 -0.299 0.000 1.883 378 A HA -0.324 3.996 4.320 -0.000 0.000 0.217 378 A C 2.117 179.614 177.584 -0.144 0.000 1.186 378 A CA 2.454 54.129 52.037 -0.604 0.000 0.624 378 A CB -0.924 17.654 19.000 -0.703 0.000 0.822 378 A HN 0.794 nan 8.150 nan 0.000 0.444 379 H N -0.635 118.394 119.070 -0.068 0.000 2.290 379 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 379 H C 2.219 177.545 175.328 -0.003 0.000 1.087 379 H CA 2.045 58.086 56.048 -0.012 0.000 1.291 379 H CB -0.024 29.746 29.762 0.014 0.000 1.369 379 H HN 0.235 nan 8.280 nan 0.000 0.492 380 R N -0.270 120.233 120.500 0.005 0.000 2.120 380 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 380 R C 2.213 178.482 176.300 -0.052 0.000 1.123 380 R CA 1.193 57.272 56.100 -0.034 0.000 0.975 380 R CB -0.286 30.064 30.300 0.085 0.000 0.866 380 R HN 0.476 nan 8.270 nan 0.000 0.446 381 M N 0.345 119.935 119.600 -0.018 0.000 2.200 381 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 381 M C 2.096 178.391 176.300 -0.008 0.000 1.066 381 M CA 1.184 56.497 55.300 0.021 0.000 1.127 381 M CB -0.654 32.002 32.600 0.094 0.000 1.379 381 M HN 0.046 nan 8.290 nan 0.000 0.420 382 K N 0.379 120.748 120.400 -0.053 0.000 2.057 382 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 382 K C 1.841 178.400 176.600 -0.068 0.000 1.050 382 K CA 1.175 57.437 56.287 -0.041 0.000 0.935 382 K CB 0.081 32.554 32.500 -0.045 0.000 0.715 382 K HN 0.082 nan 8.250 nan 0.000 0.439 383 V N 1.558 121.381 119.914 -0.151 0.000 2.332 383 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 383 V C 2.272 178.329 176.094 -0.062 0.000 1.055 383 V CA 1.912 64.128 62.300 -0.140 0.000 1.038 383 V CB -0.368 31.307 31.823 -0.246 0.000 0.651 383 V HN 0.443 nan 8.190 nan 0.000 0.450 384 Q N -0.815 118.960 119.800 -0.041 0.000 2.134 384 Q HA 0.043 4.383 4.340 -0.000 0.000 0.195 384 Q C 2.271 178.275 176.000 0.007 0.000 0.958 384 Q CA 0.770 56.568 55.803 -0.008 0.000 0.840 384 Q CB 0.022 28.765 28.738 0.009 0.000 0.918 384 Q HN 0.541 nan 8.270 nan 0.000 0.467 385 R N 0.054 120.564 120.500 0.016 0.000 2.312 385 R HA 0.224 4.564 4.340 -0.000 0.000 0.205 385 R C 0.751 177.068 176.300 0.028 0.000 0.904 385 R CA 0.531 56.648 56.100 0.028 0.000 1.052 385 R CB 0.840 31.168 30.300 0.047 0.000 1.014 385 R HN 0.237 nan 8.270 nan 0.000 0.503 386 G N 1.365 110.177 108.800 0.020 0.000 2.593 386 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.237 386 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.237 386 G C -0.308 174.617 174.900 0.042 0.000 1.312 386 G CA -0.388 44.726 45.100 0.023 0.000 0.896 386 G HN 0.437 nan 8.290 nan 0.000 0.574 387 A N -0.547 122.299 122.820 0.043 0.000 2.407 387 A HA 0.630 4.950 4.320 -0.000 0.000 0.248 387 A C 0.857 178.486 177.584 0.075 0.000 1.082 387 A CA 0.190 52.264 52.037 0.062 0.000 0.785 387 A CB 0.131 19.159 19.000 0.047 0.000 1.020 387 A HN 1.203 nan 8.150 nan 0.000 0.489 388 L N 1.316 122.606 121.223 0.112 0.000 2.418 388 L HA 0.290 4.630 4.340 -0.000 0.000 0.265 388 L C 1.797 178.704 176.870 0.061 0.000 1.143 388 L CA -0.069 54.846 54.840 0.125 0.000 0.809 388 L CB 0.945 43.148 42.059 0.240 0.000 1.124 388 L HN 0.904 nan 8.230 nan 0.000 0.456 389 A N 1.468 124.308 122.820 0.033 0.000 2.076 389 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 389 A C 1.768 179.303 177.584 -0.083 0.000 1.160 389 A CA 1.515 53.543 52.037 -0.015 0.000 0.653 389 A CB -0.381 18.611 19.000 -0.013 0.000 0.801 389 A HN 0.872 nan 8.150 nan 0.000 0.455 390 E N 0.284 120.387 120.200 -0.161 0.000 2.478 390 E HA 0.060 4.410 4.350 -0.000 0.000 0.194 390 E C 0.280 176.707 176.600 -0.288 0.000 1.045 390 E CA -0.079 56.075 56.400 -0.410 0.000 0.868 390 E CB 0.131 29.149 29.700 -1.136 0.000 0.885 390 E HN 0.435 nan 8.360 nan 0.000 0.505 391 E N 0.702 120.864 120.200 -0.062 0.000 2.415 391 E HA 0.084 4.434 4.350 -0.000 0.000 0.262 391 E C -0.237 176.362 176.600 -0.002 0.000 1.038 391 E CA 0.468 56.889 56.400 0.035 0.000 0.921 391 E CB 1.182 30.931 29.700 0.082 0.000 0.950 391 E HN -0.087 nan 8.360 nan 0.000 0.438 392 T N 0.497 115.066 114.554 0.024 0.000 2.912 392 T HA 0.586 4.936 4.350 -0.000 0.000 0.299 392 T C -0.330 174.385 174.700 0.025 0.000 1.052 392 T CA 0.432 62.539 62.100 0.012 0.000 0.996 392 T CB 1.026 69.899 68.868 0.007 0.000 1.070 392 T HN 0.705 nan 8.240 nan 0.000 0.465 393 G N 3.261 112.069 108.800 0.013 0.000 2.829 393 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.628 393 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.628 393 G C -0.505 174.398 174.900 0.006 0.000 1.412 393 G CA -0.079 45.027 45.100 0.010 0.000 0.864 393 G HN 0.872 nan 8.290 nan 0.000 0.544 394 D N 1.259 121.653 120.400 -0.010 0.000 2.741 394 D HA 0.421 5.061 4.640 -0.000 0.000 0.233 394 D C 0.832 177.118 176.300 -0.023 0.000 1.160 394 D CA 0.393 54.376 54.000 -0.028 0.000 1.003 394 D CB -0.571 40.193 40.800 -0.059 0.000 1.064 394 D HN 0.711 nan 8.370 nan 0.000 0.503 395 N N -0.754 117.957 118.700 0.019 0.000 3.277 395 N HA 0.207 4.947 4.740 -0.000 0.000 0.278 395 N C -0.902 174.660 175.510 0.086 0.000 1.544 395 N CA -0.765 52.321 53.050 0.059 0.000 0.869 395 N CB 1.177 39.702 38.487 0.064 0.000 1.584 395 N HN -0.162 nan 8.380 nan 0.000 0.564 396 D N -0.490 119.975 120.400 0.108 0.000 2.538 396 D HA 0.122 4.762 4.640 -0.000 0.000 0.231 396 D C 0.179 176.535 176.300 0.093 0.000 1.229 396 D CA -0.202 53.862 54.000 0.107 0.000 0.828 396 D CB 0.039 40.902 40.800 0.106 0.000 1.035 396 D HN 0.360 nan 8.370 nan 0.000 0.495 397 N N 0.893 119.643 118.700 0.084 0.000 2.060 397 N HA -0.200 4.540 4.740 -0.000 0.000 0.195 397 N C 1.384 176.934 175.510 0.067 0.000 1.028 397 N CA 0.864 53.949 53.050 0.059 0.000 0.861 397 N CB -0.412 38.113 38.487 0.063 0.000 1.029 397 N HN 0.247 nan 8.380 nan 0.000 0.428 398 F N 1.588 121.543 119.950 0.009 0.000 2.146 398 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 398 F C 2.474 178.290 175.800 0.026 0.000 1.096 398 F CA 1.114 59.099 58.000 -0.025 0.000 1.275 398 F CB -0.186 38.797 39.000 -0.028 0.000 1.008 398 F HN -0.074 nan 8.300 nan 0.000 0.480 399 R N -0.059 120.476 120.500 0.059 0.000 2.096 399 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 399 R C 1.970 178.360 176.300 0.150 0.000 1.127 399 R CA 1.795 57.959 56.100 0.107 0.000 0.968 399 R CB -0.535 29.869 30.300 0.174 0.000 0.861 399 R HN 0.288 nan 8.270 nan 0.000 0.440 400 V N 1.316 121.308 119.914 0.129 0.000 2.358 400 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 400 V C 2.141 178.365 176.094 0.216 0.000 1.047 400 V CA 2.020 64.492 62.300 0.288 0.000 1.035 400 V CB -0.405 31.471 31.823 0.089 0.000 0.658 400 V HN 0.368 nan 8.190 nan 0.000 0.452 401 K N 0.006 120.375 120.400 -0.052 0.000 2.057 401 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 401 K C 2.361 178.883 176.600 -0.130 0.000 1.049 401 K CA 1.649 57.866 56.287 -0.117 0.000 0.931 401 K CB -0.278 32.038 32.500 -0.306 0.000 0.714 401 K HN 0.361 nan 8.250 nan 0.000 0.440 402 R N 0.135 120.401 120.500 -0.390 0.000 2.081 402 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 402 R C 1.726 177.961 176.300 -0.108 0.000 1.131 402 R CA 1.575 57.515 56.100 -0.267 0.000 0.960 402 R CB -0.228 29.843 30.300 -0.382 0.000 0.856 402 R HN 0.194 nan 8.270 nan 0.000 0.436 403 Y N 0.173 120.390 120.300 -0.137 0.000 2.337 403 Y HA -0.014 4.536 4.550 -0.000 0.000 0.293 403 Y C 2.098 177.779 175.900 -0.365 0.000 1.123 403 Y CA 0.966 58.914 58.100 -0.253 0.000 1.201 403 Y CB -0.048 38.158 38.460 -0.423 0.000 1.011 403 Y HN 0.095 nan 8.280 nan 0.000 0.545 404 I N -0.509 120.022 120.570 -0.064 0.000 2.394 404 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 404 I C 2.269 178.163 176.117 -0.373 0.000 1.136 404 I CA 1.085 62.255 61.300 -0.218 0.000 1.425 404 I CB -0.106 38.012 38.000 0.197 0.000 1.079 404 I HN 0.184 nan 8.210 nan 0.000 0.425 405 A N 0.644 123.391 122.820 -0.121 0.000 2.019 405 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 405 A C 2.184 179.692 177.584 -0.126 0.000 1.164 405 A CA 1.402 53.390 52.037 -0.082 0.000 0.644 405 A CB -0.438 18.564 19.000 0.003 0.000 0.805 405 A HN 0.418 nan 8.150 nan 0.000 0.449 406 K N -1.330 118.989 120.400 -0.136 0.000 2.209 406 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 406 K C 1.171 177.806 176.600 0.059 0.000 1.048 406 K CA 1.757 58.026 56.287 -0.031 0.000 0.940 406 K CB -0.259 32.237 32.500 -0.006 0.000 0.729 406 K HN 0.926 nan 8.250 nan 0.000 0.451 407 Y N -1.656 118.647 120.300 0.004 0.000 2.557 407 Y HA 0.268 4.818 4.550 -0.000 0.000 0.247 407 Y C 1.231 177.175 175.900 0.074 0.000 1.164 407 Y CA -0.197 57.922 58.100 0.032 0.000 1.218 407 Y CB -0.231 38.235 38.460 0.010 0.000 1.210 407 Y HN -0.072 nan 8.280 nan 0.000 0.529 408 T N -2.450 112.058 114.554 -0.077 0.000 3.330 408 T HA 0.118 4.468 4.350 -0.000 0.000 0.185 408 T C 1.372 176.097 174.700 0.042 0.000 0.874 408 T CA 0.608 62.718 62.100 0.017 0.000 1.268 408 T CB -0.783 68.076 68.868 -0.015 0.000 1.866 408 T HN 0.095 nan 8.240 nan 0.000 0.395 409 I N 2.978 123.563 120.570 0.025 0.000 2.286 409 I HA -0.060 4.110 4.170 -0.000 0.000 0.248 409 I C 1.966 178.056 176.117 -0.046 0.000 1.115 409 I CA 1.357 62.655 61.300 -0.004 0.000 1.392 409 I CB -0.777 37.167 38.000 -0.092 0.000 1.065 409 I HN 0.265 nan 8.210 nan 0.000 0.418 410 N N 0.737 119.399 118.700 -0.063 0.000 2.084 410 N HA -0.106 4.634 4.740 -0.000 0.000 0.190 410 N C -0.755 174.729 175.510 -0.044 0.000 1.030 410 N CA 1.776 54.785 53.050 -0.068 0.000 0.849 410 N CB -1.828 36.618 38.487 -0.069 0.000 1.012 410 N HN 0.322 nan 8.380 nan 0.000 0.423 411 P HA 0.010 nan 4.420 nan 0.000 0.218 411 P C 0.944 178.278 177.300 0.057 0.000 1.149 411 P CA 1.229 64.357 63.100 0.047 0.000 0.817 411 P CB 0.006 31.763 31.700 0.094 0.000 0.785 412 A N -0.821 122.018 122.820 0.031 0.000 1.929 412 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 412 A C 2.146 179.734 177.584 0.008 0.000 1.176 412 A CA 1.179 53.228 52.037 0.019 0.000 0.628 412 A CB -1.512 17.506 19.000 0.031 0.000 0.816 412 A HN 0.104 nan 8.150 nan 0.000 0.444 413 L N -0.876 120.337 121.223 -0.017 0.000 2.027 413 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 413 L C 2.767 179.593 176.870 -0.072 0.000 1.074 413 L CA 1.721 56.539 54.840 -0.037 0.000 0.745 413 L CB -0.886 41.135 42.059 -0.063 0.000 0.898 413 L HN 0.318 nan 8.230 nan 0.000 0.433 414 T N -1.918 112.569 114.554 -0.111 0.000 2.759 414 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 414 T C 1.425 175.923 174.700 -0.337 0.000 1.042 414 T CA 1.237 63.196 62.100 -0.235 0.000 1.140 414 T CB -0.246 68.427 68.868 -0.325 0.000 0.864 414 T HN 0.362 nan 8.240 nan 0.000 0.455 415 H N -0.465 118.562 119.070 -0.071 0.000 2.542 415 H HA 0.357 4.913 4.556 -0.000 0.000 0.283 415 H C 1.587 176.874 175.328 -0.069 0.000 1.059 415 H CA 0.328 56.340 56.048 -0.059 0.000 1.162 415 H CB 0.196 29.924 29.762 -0.056 0.000 1.539 415 H HN 0.486 nan 8.280 nan 0.000 0.543 416 G N 2.426 111.232 108.800 0.011 0.000 2.246 416 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.273 416 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.273 416 G C 0.841 175.810 174.900 0.115 0.000 1.055 416 G CA 0.728 45.856 45.100 0.047 0.000 0.851 416 G HN 0.636 nan 8.290 nan 0.000 0.500 417 I N -4.297 116.295 120.570 0.036 0.000 4.338 417 I HA 0.633 4.803 4.170 -0.000 0.000 0.329 417 I C 1.840 177.943 176.117 -0.024 0.000 1.378 417 I CA 0.413 61.669 61.300 -0.072 0.000 1.170 417 I CB 0.180 37.876 38.000 -0.507 0.000 1.206 417 I HN 0.148 nan 8.210 nan 0.000 0.432 418 A N 2.060 124.931 122.820 0.086 0.000 2.186 418 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 418 A C 2.019 179.676 177.584 0.122 0.000 1.159 418 A CA 1.992 54.080 52.037 0.085 0.000 0.680 418 A CB -1.348 17.695 19.000 0.073 0.000 0.787 418 A HN 0.866 nan 8.150 nan 0.000 0.467 419 H N -2.920 116.190 119.070 0.067 0.000 2.529 419 H HA 0.185 4.741 4.556 -0.000 0.000 0.277 419 H C 1.537 176.926 175.328 0.100 0.000 0.999 419 H CA 0.917 57.008 56.048 0.073 0.000 1.256 419 H CB 0.171 29.971 29.762 0.063 0.000 1.402 419 H HN 0.390 nan 8.280 nan 0.000 0.566 420 E N 1.091 121.131 120.200 -0.267 0.000 2.175 420 E HA 0.115 4.465 4.350 -0.000 0.000 0.195 420 E C 1.055 177.676 176.600 0.034 0.000 0.934 420 E CA 0.951 57.282 56.400 -0.114 0.000 0.870 420 E CB 0.776 30.418 29.700 -0.096 0.000 0.838 420 E HN 0.399 nan 8.360 nan 0.000 0.474 421 V N -4.438 115.515 119.914 0.064 0.000 3.165 421 V HA 0.854 4.974 4.120 -0.000 0.000 0.307 421 V C 1.006 177.167 176.094 0.111 0.000 1.281 421 V CA -0.174 62.194 62.300 0.114 0.000 1.056 421 V CB 0.991 32.913 31.823 0.164 0.000 1.178 421 V HN 0.339 nan 8.190 nan 0.000 0.475 422 G N -0.227 108.653 108.800 0.133 0.000 2.232 422 G HA2 0.037 3.997 3.960 -0.000 0.000 0.226 422 G HA3 0.037 3.997 3.960 -0.000 0.000 0.226 422 G C 0.277 175.288 174.900 0.184 0.000 0.996 422 G CA 0.684 45.865 45.100 0.136 0.000 0.626 422 G HN 2.441 nan 8.290 nan 0.000 0.509 423 S N -1.333 114.494 115.700 0.211 0.000 2.636 423 S HA 0.635 5.105 4.470 -0.000 0.000 0.266 423 S C -0.840 173.917 174.600 0.262 0.000 1.147 423 S CA -0.626 57.741 58.200 0.278 0.000 0.815 423 S CB 1.106 64.550 63.200 0.405 0.000 1.119 423 S HN 0.818 nan 8.310 nan 0.000 0.470 424 I N 1.549 122.317 120.570 0.331 0.000 2.276 424 I HA 0.415 4.584 4.170 -0.000 0.000 0.290 424 I C -0.169 176.124 176.117 0.293 0.000 1.109 424 I CA 0.175 61.664 61.300 0.315 0.000 1.229 424 I CB 0.035 38.248 38.000 0.356 0.000 1.452 424 I HN 0.552 nan 8.210 nan 0.000 0.497 425 E N 4.398 124.687 120.200 0.149 0.000 2.331 425 E HA 0.324 4.674 4.350 -0.000 0.000 0.275 425 E C -0.707 175.901 176.600 0.012 0.000 0.895 425 E CA -1.023 55.386 56.400 0.015 0.000 0.753 425 E CB 3.220 32.929 29.700 0.015 0.000 1.216 425 E HN 0.319 nan 8.360 nan 0.000 0.434 426 V N 0.239 120.124 119.914 -0.048 0.000 2.694 426 V HA 0.379 4.499 4.120 -0.000 0.000 0.306 426 V C 1.019 177.105 176.094 -0.014 0.000 1.054 426 V CA 1.213 63.486 62.300 -0.045 0.000 1.161 426 V CB 0.186 31.933 31.823 -0.127 0.000 0.916 426 V HN 1.036 nan 8.190 nan 0.000 0.490 427 G N 3.033 111.841 108.800 0.014 0.000 2.234 427 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.235 427 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.235 427 G C 0.328 175.262 174.900 0.056 0.000 0.997 427 G CA 0.353 45.474 45.100 0.034 0.000 0.623 427 G HN 0.910 nan 8.290 nan 0.000 0.514 428 K N 0.084 120.523 120.400 0.065 0.000 2.126 428 K HA 0.581 4.901 4.320 -0.000 0.000 0.257 428 K C 0.283 176.931 176.600 0.081 0.000 1.007 428 K CA -0.896 55.437 56.287 0.076 0.000 0.928 428 K CB 1.504 34.061 32.500 0.095 0.000 1.013 428 K HN 0.151 nan 8.250 nan 0.000 0.473 429 L N 1.750 123.019 121.223 0.076 0.000 2.514 429 L HA -0.012 4.328 4.340 -0.000 0.000 0.280 429 L C -0.053 176.873 176.870 0.092 0.000 1.223 429 L CA 0.734 55.618 54.840 0.074 0.000 0.864 429 L CB 0.493 42.590 42.059 0.063 0.000 1.118 429 L HN 0.747 nan 8.230 nan 0.000 0.494 430 A N 3.788 126.662 122.820 0.090 0.000 3.048 430 A HA 0.189 4.509 4.320 -0.000 0.000 0.264 430 A C -0.429 177.210 177.584 0.092 0.000 1.796 430 A CA -0.381 51.714 52.037 0.096 0.000 1.445 430 A CB -1.144 17.911 19.000 0.090 0.000 1.074 430 A HN 0.682 nan 8.150 nan 0.000 0.621 431 D N 1.569 122.031 120.400 0.104 0.000 2.443 431 D HA 0.529 5.169 4.640 -0.000 0.000 0.221 431 D C -0.321 176.046 176.300 0.112 0.000 1.097 431 D CA 0.425 54.486 54.000 0.102 0.000 0.865 431 D CB 0.860 41.730 40.800 0.117 0.000 1.034 431 D HN 0.407 nan 8.370 nan 0.000 0.511 432 L N 1.039 122.316 121.223 0.089 0.000 2.354 432 L HA 0.663 5.003 4.340 -0.000 0.000 0.264 432 L C -0.510 176.379 176.870 0.033 0.000 1.008 432 L CA -1.233 53.662 54.840 0.092 0.000 0.819 432 L CB 2.363 44.479 42.059 0.095 0.000 1.339 432 L HN -0.102 nan 8.230 nan 0.000 0.420 433 V N 1.906 121.831 119.914 0.018 0.000 2.588 433 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 433 V C -0.359 175.590 176.094 -0.242 0.000 1.042 433 V CA -0.705 61.476 62.300 -0.200 0.000 0.877 433 V CB 2.308 33.935 31.823 -0.327 0.000 0.996 433 V HN 0.412 nan 8.190 nan 0.000 0.425 434 V N 3.584 123.308 119.914 -0.317 0.000 2.398 434 V HA 0.536 4.656 4.120 -0.000 0.000 0.286 434 V C -0.922 175.048 176.094 -0.207 0.000 1.026 434 V CA -0.517 61.704 62.300 -0.132 0.000 0.868 434 V CB 1.387 33.189 31.823 -0.034 0.000 0.982 434 V HN 0.919 nan 8.190 nan 0.000 0.443 435 W N 1.820 123.206 121.300 0.143 0.000 2.781 435 W HA 0.675 5.335 4.660 -0.000 0.000 0.345 435 W C 0.252 176.870 176.519 0.165 0.000 1.085 435 W CA -0.719 56.727 57.345 0.167 0.000 1.198 435 W CB 1.718 31.331 29.460 0.255 0.000 1.423 435 W HN 0.433 nan 8.180 nan 0.000 0.532 436 S N 1.745 117.714 115.700 0.448 0.000 2.480 436 S HA 0.324 4.794 4.470 -0.000 0.000 0.286 436 S C -1.554 173.241 174.600 0.325 0.000 1.180 436 S CA -1.475 56.923 58.200 0.331 0.000 1.075 436 S CB 1.078 64.492 63.200 0.358 0.000 0.996 436 S HN 0.186 nan 8.310 nan 0.000 0.487 437 P HA -0.140 nan 4.420 nan 0.000 0.217 437 P C 1.086 178.391 177.300 0.009 0.000 1.151 437 P CA 1.586 64.716 63.100 0.050 0.000 0.849 437 P CB 0.083 31.765 31.700 -0.029 0.000 0.787 438 A N -2.460 120.370 122.820 0.015 0.000 2.121 438 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 438 A C 1.265 178.631 177.584 -0.364 0.000 1.154 438 A CA 1.142 53.066 52.037 -0.189 0.000 0.679 438 A CB -1.218 17.619 19.000 -0.272 0.000 0.795 438 A HN 0.186 nan 8.150 nan 0.000 0.458 439 F N -2.406 117.628 119.950 0.140 0.000 2.735 439 F HA 0.328 4.855 4.527 -0.000 0.000 0.308 439 F C 0.257 176.066 175.800 0.014 0.000 1.112 439 F CA -1.209 56.835 58.000 0.073 0.000 1.235 439 F CB 0.074 39.168 39.000 0.157 0.000 1.027 439 F HN 0.153 nan 8.300 nan 0.000 0.528 440 F N 1.443 121.341 119.950 -0.087 0.000 2.623 440 F HA 0.357 4.884 4.527 -0.000 0.000 0.383 440 F C 1.387 176.798 175.800 -0.648 0.000 1.077 440 F CA 1.107 58.843 58.000 -0.440 0.000 1.268 440 F CB 0.526 39.193 39.000 -0.556 0.000 1.053 440 F HN 0.322 nan 8.300 nan 0.000 0.571 441 G N 3.314 110.888 108.800 -2.043 0.000 2.245 441 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.264 441 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.264 441 G C 0.567 175.220 174.900 -0.411 0.000 0.985 441 G CA 0.534 44.882 45.100 -1.253 0.000 0.625 441 G HN 0.772 nan 8.290 nan 0.000 0.536 442 V N -0.663 119.128 119.914 -0.206 0.000 2.840 442 V HA 0.379 4.499 4.120 -0.000 0.000 0.234 442 V C 0.974 177.179 176.094 0.186 0.000 1.159 442 V CA 1.815 64.091 62.300 -0.040 0.000 1.194 442 V CB 0.377 31.943 31.823 -0.428 0.000 0.971 442 V HN 0.283 nan 8.190 nan 0.000 0.494 443 K N 1.054 121.642 120.400 0.313 0.000 2.668 443 K HA 0.435 4.755 4.320 -0.000 0.000 0.246 443 K C -2.940 173.858 176.600 0.331 0.000 0.976 443 K CA -1.610 54.850 56.287 0.289 0.000 0.902 443 K CB 2.541 35.164 32.500 0.205 0.000 1.172 443 K HN 0.137 nan 8.250 nan 0.000 0.452 444 P HA 0.023 nan 4.420 nan 0.000 0.271 444 P C -0.005 177.283 177.300 -0.020 0.000 1.218 444 P CA -0.017 62.941 63.100 -0.237 0.000 0.780 444 P CB 1.083 32.445 31.700 -0.562 0.000 0.901 445 A N 2.101 124.868 122.820 -0.088 0.000 1.935 445 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 445 A C 0.521 178.050 177.584 -0.092 0.000 1.178 445 A CA 1.480 53.473 52.037 -0.072 0.000 0.640 445 A CB -0.361 18.627 19.000 -0.021 0.000 0.825 445 A HN 0.559 nan 8.150 nan 0.000 0.447 446 T N -0.973 113.508 114.554 -0.122 0.000 3.041 446 T HA 0.501 4.851 4.350 -0.000 0.000 0.321 446 T C -1.351 173.272 174.700 -0.127 0.000 1.184 446 T CA -0.407 61.639 62.100 -0.090 0.000 1.050 446 T CB 1.974 70.806 68.868 -0.061 0.000 1.159 446 T HN 0.009 nan 8.240 nan 0.000 0.469 447 V N 3.777 123.649 119.914 -0.070 0.000 2.376 447 V HA 0.493 4.613 4.120 -0.000 0.000 0.287 447 V C -0.379 175.704 176.094 -0.018 0.000 1.015 447 V CA -0.736 61.521 62.300 -0.071 0.000 0.834 447 V CB 1.120 32.908 31.823 -0.059 0.000 1.001 447 V HN 0.775 nan 8.190 nan 0.000 0.428 448 I N 5.005 125.571 120.570 -0.006 0.000 2.331 448 I HA 0.465 4.635 4.170 -0.000 0.000 0.292 448 I C 0.169 176.311 176.117 0.042 0.000 0.998 448 I CA -0.438 60.876 61.300 0.023 0.000 1.267 448 I CB 1.162 39.179 38.000 0.029 0.000 1.386 448 I HN 0.382 nan 8.210 nan 0.000 0.476 449 K N 4.454 124.883 120.400 0.048 0.000 2.394 449 K HA 0.343 4.663 4.320 -0.000 0.000 0.260 449 K C 0.508 177.146 176.600 0.064 0.000 0.967 449 K CA -0.351 55.971 56.287 0.059 0.000 0.855 449 K CB 1.871 34.405 32.500 0.056 0.000 1.101 449 K HN 0.923 nan 8.250 nan 0.000 0.433 450 G N 1.916 110.757 108.800 0.068 0.000 2.258 450 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.274 450 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.274 450 G C 0.711 175.659 174.900 0.080 0.000 1.021 450 G CA 0.960 46.104 45.100 0.073 0.000 0.798 450 G HN 1.086 nan 8.290 nan 0.000 0.507 451 G N -2.141 106.700 108.800 0.068 0.000 2.157 451 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.239 451 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.239 451 G C 0.146 175.071 174.900 0.041 0.000 0.982 451 G CA 0.778 45.912 45.100 0.056 0.000 0.650 451 G HN 1.139 nan 8.290 nan 0.000 0.527 452 M N 0.470 120.099 119.600 0.047 0.000 2.327 452 M HA 0.492 4.972 4.480 -0.000 0.000 0.298 452 M C 0.244 176.573 176.300 0.048 0.000 1.065 452 M CA -0.838 54.489 55.300 0.044 0.000 0.916 452 M CB 2.202 34.834 32.600 0.054 0.000 1.630 452 M HN 0.069 nan 8.290 nan 0.000 0.442 453 I N 2.209 122.807 120.570 0.047 0.000 2.668 453 I HA -0.017 4.153 4.170 -0.000 0.000 0.285 453 I C 0.966 177.110 176.117 0.046 0.000 1.168 453 I CA 0.205 61.528 61.300 0.038 0.000 1.424 453 I CB 0.822 38.842 38.000 0.034 0.000 1.377 453 I HN 0.888 nan 8.210 nan 0.000 0.560 454 A N 7.193 130.031 122.820 0.031 0.000 2.035 454 A HA 0.415 4.735 4.320 -0.000 0.000 0.208 454 A C 0.614 178.206 177.584 0.014 0.000 1.206 454 A CA 0.487 52.539 52.037 0.025 0.000 0.773 454 A CB 0.455 19.474 19.000 0.031 0.000 0.878 454 A HN 0.658 nan 8.150 nan 0.000 0.469 455 I N -1.830 118.754 120.570 0.024 0.000 2.842 455 I HA 0.614 4.784 4.170 -0.000 0.000 0.297 455 I C -1.341 174.819 176.117 0.071 0.000 1.380 455 I CA -0.431 60.900 61.300 0.051 0.000 1.018 455 I CB 2.173 40.222 38.000 0.081 0.000 1.311 455 I HN 0.263 nan 8.210 nan 0.000 0.439 456 A N 5.849 128.702 122.820 0.056 0.000 2.601 456 A HA 0.830 5.150 4.320 -0.000 0.000 0.291 456 A C -3.112 174.302 177.584 -0.285 0.000 1.075 456 A CA -1.212 50.796 52.037 -0.049 0.000 0.671 456 A CB 1.609 20.562 19.000 -0.078 0.000 1.277 456 A HN 0.324 nan 8.150 nan 0.000 0.417 457 P HA 0.527 nan 4.420 nan 0.000 0.276 457 P C -0.790 176.281 177.300 -0.381 0.000 1.230 457 P CA 0.070 62.746 63.100 -0.707 0.000 0.776 457 P CB 0.640 31.928 31.700 -0.687 0.000 0.888 458 M N 2.938 122.323 119.600 -0.358 0.000 2.326 458 M HA 0.606 5.086 4.480 -0.000 0.000 0.292 458 M C -0.209 175.925 176.300 -0.276 0.000 1.081 458 M CA -0.342 54.796 55.300 -0.269 0.000 0.919 458 M CB 1.580 34.038 32.600 -0.237 0.000 1.634 458 M HN 0.407 nan 8.290 nan 0.000 0.451 459 G N 1.202 109.892 108.800 -0.184 0.000 2.510 459 G HA2 0.263 4.223 3.960 -0.000 0.000 0.280 459 G HA3 0.263 4.223 3.960 -0.000 0.000 0.280 459 G C -0.885 173.948 174.900 -0.112 0.000 1.386 459 G CA -0.579 44.438 45.100 -0.138 0.000 1.047 459 G HN 0.736 nan 8.290 nan 0.000 0.527 460 D N -0.174 120.188 120.400 -0.063 0.000 2.662 460 D HA -0.104 4.536 4.640 -0.000 0.000 0.233 460 D C 1.668 177.941 176.300 -0.044 0.000 1.129 460 D CA -0.213 53.765 54.000 -0.038 0.000 0.851 460 D CB 0.312 41.100 40.800 -0.020 0.000 1.152 460 D HN 0.034 nan 8.370 nan 0.000 0.507 461 I N 3.680 124.226 120.570 -0.041 0.000 2.493 461 I HA -0.190 3.980 4.170 -0.000 0.000 0.254 461 I C 1.834 177.938 176.117 -0.021 0.000 1.160 461 I CA 0.886 62.164 61.300 -0.038 0.000 1.445 461 I CB -1.101 36.878 38.000 -0.035 0.000 1.086 461 I HN 0.440 nan 8.210 nan 0.000 0.433 462 N N 0.987 119.678 118.700 -0.014 0.000 2.336 462 N HA 0.132 4.872 4.740 -0.000 0.000 0.189 462 N C 0.668 176.172 175.510 -0.009 0.000 1.113 462 N CA 0.115 53.160 53.050 -0.008 0.000 0.858 462 N CB 0.269 38.753 38.487 -0.004 0.000 0.970 462 N HN 0.249 nan 8.380 nan 0.000 0.471 463 A N -0.462 122.350 122.820 -0.013 0.000 2.366 463 A HA 0.247 4.567 4.320 -0.000 0.000 0.250 463 A C 1.351 178.929 177.584 -0.011 0.000 1.099 463 A CA 0.244 52.273 52.037 -0.013 0.000 0.794 463 A CB 0.020 19.008 19.000 -0.019 0.000 1.056 463 A HN 0.464 nan 8.150 nan 0.000 0.499 464 S N -0.638 115.056 115.700 -0.010 0.000 2.562 464 S HA 0.249 4.719 4.470 -0.000 0.000 0.221 464 S C 0.457 175.053 174.600 -0.008 0.000 0.975 464 S CA 0.816 59.012 58.200 -0.007 0.000 0.918 464 S CB -0.987 62.209 63.200 -0.006 0.000 0.772 464 S HN 0.799 nan 8.310 nan 0.000 0.531 465 I N -3.311 117.251 120.570 -0.012 0.000 3.093 465 I HA 0.426 4.596 4.170 -0.000 0.000 0.308 465 I C -2.571 173.532 176.117 -0.024 0.000 1.303 465 I CA -2.614 58.678 61.300 -0.014 0.000 0.975 465 I CB 1.644 39.636 38.000 -0.013 0.000 1.286 465 I HN -0.373 nan 8.210 nan 0.000 0.459 466 P HA -0.044 nan 4.420 nan 0.000 0.241 466 P C 1.056 178.317 177.300 -0.064 0.000 1.191 466 P CA 1.080 64.151 63.100 -0.048 0.000 0.771 466 P CB 0.047 31.719 31.700 -0.045 0.000 0.929 467 T N -4.440 110.083 114.554 -0.051 0.000 3.054 467 T HA 0.186 4.536 4.350 -0.000 0.000 0.259 467 T C -1.474 173.196 174.700 -0.050 0.000 1.092 467 T CA -0.360 61.706 62.100 -0.056 0.000 1.121 467 T CB -1.915 66.927 68.868 -0.042 0.000 0.912 467 T HN 0.125 nan 8.240 nan 0.000 0.489 468 P HA 0.183 nan 4.420 nan 0.000 0.269 468 P C 0.100 177.382 177.300 -0.031 0.000 1.215 468 P CA -0.202 62.880 63.100 -0.030 0.000 0.780 468 P CB 0.374 32.061 31.700 -0.022 0.000 0.898 469 Q N 2.262 122.051 119.800 -0.018 0.000 2.417 469 Q HA 0.244 4.584 4.340 -0.000 0.000 0.241 469 Q C -1.915 174.091 176.000 0.011 0.000 1.008 469 Q CA -1.275 54.525 55.803 -0.005 0.000 0.901 469 Q CB -0.410 28.329 28.738 0.002 0.000 1.259 469 Q HN 0.395 nan 8.270 nan 0.000 0.489 470 P HA 0.230 nan 4.420 nan 0.000 0.284 470 P C -0.869 176.470 177.300 0.064 0.000 1.253 470 P CA -0.385 62.763 63.100 0.080 0.000 0.800 470 P CB 0.980 32.766 31.700 0.144 0.000 0.961 471 V N 4.915 124.846 119.914 0.029 0.000 2.347 471 V HA 0.361 4.481 4.120 -0.000 0.000 0.280 471 V C 0.113 176.200 176.094 -0.012 0.000 1.021 471 V CA -0.195 62.056 62.300 -0.082 0.000 0.847 471 V CB 0.213 31.960 31.823 -0.126 0.000 0.990 471 V HN 0.862 nan 8.190 nan 0.000 0.444 472 H N 2.081 121.084 119.070 -0.113 0.000 3.008 472 H HA 0.666 5.222 4.556 -0.000 0.000 0.354 472 H C -1.564 173.695 175.328 -0.114 0.000 1.252 472 H CA -1.140 54.873 56.048 -0.059 0.000 1.117 472 H CB 0.840 30.626 29.762 0.040 0.000 1.857 472 H HN 0.354 nan 8.280 nan 0.000 0.547 473 Y N 1.072 121.421 120.300 0.081 0.000 2.465 473 Y HA 0.296 4.846 4.550 -0.000 0.000 0.331 473 Y C 0.580 176.483 175.900 0.006 0.000 1.102 473 Y CA 0.139 58.240 58.100 0.003 0.000 1.358 473 Y CB 0.560 39.031 38.460 0.019 0.000 1.213 473 Y HN 0.362 nan 8.280 nan 0.000 0.525 474 R N 4.162 124.678 120.500 0.027 0.000 2.744 474 R HA 0.447 4.787 4.340 -0.000 0.000 0.279 474 R C -2.974 173.313 176.300 -0.021 0.000 0.977 474 R CA -2.336 53.757 56.100 -0.011 0.000 0.906 474 R CB 1.524 31.752 30.300 -0.121 0.000 1.197 474 R HN 0.329 nan 8.270 nan 0.000 0.463 475 P HA 0.076 nan 4.420 nan 0.000 0.271 475 P C -0.410 176.807 177.300 -0.138 0.000 1.216 475 P CA 0.135 63.202 63.100 -0.055 0.000 0.771 475 P CB 0.646 32.316 31.700 -0.050 0.000 0.864 476 M N 1.730 121.252 119.600 -0.131 0.000 2.799 476 M HA 0.335 4.815 4.480 -0.000 0.000 0.274 476 M C 1.335 177.495 176.300 -0.233 0.000 1.137 476 M CA -0.644 54.520 55.300 -0.226 0.000 0.897 476 M CB -0.484 32.068 32.600 -0.080 0.000 1.567 476 M HN 0.214 nan 8.290 nan 0.000 0.536 477 F N 0.702 120.636 119.950 -0.027 0.000 2.202 477 F HA -0.059 4.468 4.527 -0.000 0.000 0.301 477 F C 2.269 178.050 175.800 -0.032 0.000 1.082 477 F CA 1.590 59.571 58.000 -0.032 0.000 1.313 477 F CB -1.157 37.821 39.000 -0.037 0.000 1.024 477 F HN 0.740 nan 8.300 nan 0.000 0.495 478 G N -0.740 108.140 108.800 0.133 0.000 2.559 478 G HA2 0.022 3.982 3.960 -0.000 0.000 0.216 478 G HA3 0.022 3.982 3.960 -0.000 0.000 0.216 478 G C 1.521 176.443 174.900 0.036 0.000 1.126 478 G CA 0.630 45.776 45.100 0.078 0.000 0.778 478 G HN 0.439 nan 8.290 nan 0.000 0.543 479 A N -0.325 122.500 122.820 0.009 0.000 2.390 479 A HA 0.590 4.910 4.320 -0.000 0.000 0.232 479 A C 0.665 178.224 177.584 -0.041 0.000 1.233 479 A CA -0.335 51.693 52.037 -0.014 0.000 0.907 479 A CB 0.154 19.143 19.000 -0.019 0.000 0.967 479 A HN 0.247 nan 8.150 nan 0.000 0.512 480 L N -0.390 120.812 121.223 -0.036 0.000 2.325 480 L HA 0.456 4.796 4.340 -0.000 0.000 0.279 480 L C 1.738 178.544 176.870 -0.107 0.000 1.054 480 L CA -0.183 54.625 54.840 -0.052 0.000 0.804 480 L CB 1.002 43.060 42.059 -0.002 0.000 1.200 480 L HN 0.501 nan 8.230 nan 0.000 0.436 481 G N 2.085 110.797 108.800 -0.147 0.000 2.808 481 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.470 481 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.470 481 G C 1.177 175.778 174.900 -0.498 0.000 1.041 481 G CA 1.119 46.064 45.100 -0.259 0.000 0.839 481 G HN 0.651 nan 8.290 nan 0.000 0.825 482 S N 0.685 116.227 115.700 -0.263 0.000 2.419 482 S HA 0.077 4.547 4.470 -0.000 0.000 0.233 482 S C 2.736 177.309 174.600 -0.045 0.000 1.016 482 S CA 1.724 59.847 58.200 -0.129 0.000 0.974 482 S CB -0.490 62.727 63.200 0.027 0.000 0.786 482 S HN 1.086 nan 8.310 nan 0.000 0.492 483 A N 1.978 124.768 122.820 -0.049 0.000 1.902 483 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 483 A C 2.091 179.696 177.584 0.034 0.000 1.181 483 A CA 1.366 53.406 52.037 0.006 0.000 0.623 483 A CB -0.518 18.493 19.000 0.018 0.000 0.818 483 A HN 0.420 nan 8.150 nan 0.000 0.443 484 R N -0.753 119.718 120.500 -0.049 0.000 2.081 484 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 484 R C 1.939 178.271 176.300 0.053 0.000 1.131 484 R CA 1.943 58.028 56.100 -0.025 0.000 0.960 484 R CB -0.584 29.661 30.300 -0.091 0.000 0.856 484 R HN 0.791 nan 8.270 nan 0.000 0.436 485 H N -2.016 117.080 119.070 0.044 0.000 2.387 485 H HA -0.178 4.378 4.556 -0.000 0.000 0.299 485 H C 1.927 177.269 175.328 0.024 0.000 1.099 485 H CA 1.625 57.685 56.048 0.020 0.000 1.315 485 H CB -0.102 29.671 29.762 0.019 0.000 1.380 485 H HN 0.451 nan 8.280 nan 0.000 0.513 486 H N -0.864 118.266 119.070 0.100 0.000 2.502 486 H HA 0.019 4.575 4.556 -0.000 0.000 0.283 486 H C 1.159 176.503 175.328 0.026 0.000 1.015 486 H CA 0.931 57.008 56.048 0.048 0.000 1.298 486 H CB 0.276 30.058 29.762 0.033 0.000 1.411 486 H HN 0.295 nan 8.280 nan 0.000 0.556 487 C N 1.393 120.779 119.300 0.142 0.000 2.974 487 C HA 0.283 4.743 4.460 -0.000 0.000 0.282 487 C C 0.550 175.565 174.990 0.041 0.000 1.292 487 C CA -0.408 58.667 59.018 0.096 0.000 1.710 487 C CB -1.191 26.611 27.740 0.104 0.000 2.036 487 C HN 0.511 nan 8.230 nan 0.000 0.629 488 R N 0.177 120.686 120.500 0.015 0.000 2.854 488 R HA 0.826 5.166 4.340 -0.000 0.000 0.271 488 R C -1.596 174.645 176.300 -0.098 0.000 0.994 488 R CA -0.666 55.425 56.100 -0.016 0.000 0.945 488 R CB 0.975 31.286 30.300 0.018 0.000 1.194 488 R HN 0.099 nan 8.270 nan 0.000 0.476 489 L N 1.170 122.283 121.223 -0.183 0.000 2.362 489 L HA 0.441 4.781 4.340 -0.000 0.000 0.275 489 L C -0.605 175.992 176.870 -0.455 0.000 0.998 489 L CA -0.893 53.719 54.840 -0.379 0.000 0.820 489 L CB 2.585 44.260 42.059 -0.640 0.000 1.270 489 L HN 0.738 nan 8.230 nan 0.000 0.415 490 T N 2.689 117.026 114.554 -0.361 0.000 2.749 490 T HA 0.492 4.842 4.350 -0.000 0.000 0.287 490 T C -0.438 174.101 174.700 -0.269 0.000 0.970 490 T CA -0.227 61.734 62.100 -0.232 0.000 0.980 490 T CB 0.217 69.012 68.868 -0.122 0.000 0.924 490 T HN 0.074 nan 8.240 nan 0.000 0.456 491 F N 3.563 123.531 119.950 0.029 0.000 2.420 491 F HA 0.476 5.003 4.527 -0.000 0.000 0.352 491 F C 0.471 176.296 175.800 0.041 0.000 1.108 491 F CA -0.794 57.232 58.000 0.044 0.000 1.162 491 F CB 0.442 39.480 39.000 0.063 0.000 1.118 491 F HN 0.217 nan 8.300 nan 0.000 0.510 492 L N 1.878 123.227 121.223 0.209 0.000 2.286 492 L HA 0.567 4.907 4.340 -0.000 0.000 0.265 492 L C 0.085 177.035 176.870 0.133 0.000 1.012 492 L CA -1.065 53.852 54.840 0.129 0.000 0.818 492 L CB 2.178 44.278 42.059 0.068 0.000 1.337 492 L HN 0.633 nan 8.230 nan 0.000 0.438 493 S N -0.800 114.954 115.700 0.090 0.000 2.632 493 S HA 0.200 4.669 4.470 -0.000 0.000 0.271 493 S C 0.471 175.106 174.600 0.058 0.000 1.260 493 S CA -0.682 57.562 58.200 0.074 0.000 1.010 493 S CB 1.459 64.691 63.200 0.053 0.000 0.965 493 S HN 0.659 nan 8.310 nan 0.000 0.534 494 Q N 0.863 120.691 119.800 0.047 0.000 2.181 494 Q HA -0.133 4.207 4.340 -0.000 0.000 0.205 494 Q C 2.391 178.405 176.000 0.023 0.000 0.980 494 Q CA 1.592 57.415 55.803 0.033 0.000 0.862 494 Q CB -0.591 28.160 28.738 0.020 0.000 0.905 494 Q HN 0.912 nan 8.270 nan 0.000 0.429 495 A N 1.143 123.976 122.820 0.021 0.000 1.873 495 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 495 A C 2.325 179.917 177.584 0.014 0.000 1.186 495 A CA 1.486 53.531 52.037 0.014 0.000 0.616 495 A CB -0.825 18.182 19.000 0.012 0.000 0.823 495 A HN 0.389 nan 8.150 nan 0.000 0.442 496 A N -0.067 122.764 122.820 0.019 0.000 1.902 496 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 496 A C 2.521 180.111 177.584 0.011 0.000 1.181 496 A CA 2.174 54.219 52.037 0.014 0.000 0.623 496 A CB -1.094 17.917 19.000 0.019 0.000 0.818 496 A HN 1.052 nan 8.150 nan 0.000 0.443 497 A N 0.013 122.845 122.820 0.019 0.000 1.865 497 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 497 A C 2.552 180.140 177.584 0.008 0.000 1.191 497 A CA 2.483 54.529 52.037 0.015 0.000 0.623 497 A CB -1.210 17.806 19.000 0.027 0.000 0.826 497 A HN 1.162 nan 8.150 nan 0.000 0.444 498 A N -0.088 122.737 122.820 0.009 0.000 1.940 498 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 498 A C 1.793 179.378 177.584 0.001 0.000 1.176 498 A CA 1.879 53.919 52.037 0.005 0.000 0.631 498 A CB -0.661 18.342 19.000 0.005 0.000 0.814 498 A HN 0.536 nan 8.150 nan 0.000 0.446 499 N N -0.605 118.096 118.700 0.001 0.000 2.512 499 N HA 0.068 4.808 4.740 -0.000 0.000 0.183 499 N C 1.108 176.615 175.510 -0.006 0.000 1.073 499 N CA 1.169 54.218 53.050 -0.002 0.000 0.911 499 N CB -0.160 38.326 38.487 -0.001 0.000 0.964 499 N HN 0.716 nan 8.380 nan 0.000 0.447 500 G N -0.371 108.425 108.800 -0.007 0.000 2.182 500 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 500 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 500 G C 0.913 175.802 174.900 -0.018 0.000 1.042 500 G CA 0.346 45.438 45.100 -0.012 0.000 0.775 500 G HN 0.199 nan 8.290 nan 0.000 0.501 501 V N 0.067 119.971 119.914 -0.018 0.000 2.407 501 V HA -0.091 4.029 4.120 -0.000 0.000 0.248 501 V C 3.181 179.252 176.094 -0.038 0.000 1.055 501 V CA 3.054 65.338 62.300 -0.026 0.000 1.049 501 V CB -0.813 30.998 31.823 -0.020 0.000 0.662 501 V HN 0.990 nan 8.190 nan 0.000 0.455 502 A N -0.019 122.779 122.820 -0.037 0.000 1.933 502 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 502 A C 2.102 179.654 177.584 -0.053 0.000 1.175 502 A CA 2.008 54.015 52.037 -0.050 0.000 0.628 502 A CB -0.400 18.571 19.000 -0.048 0.000 0.814 502 A HN 0.577 nan 8.150 nan 0.000 0.444 503 E N -0.693 119.483 120.200 -0.041 0.000 2.112 503 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 503 E C 2.146 178.722 176.600 -0.039 0.000 0.979 503 E CA 1.056 57.434 56.400 -0.038 0.000 0.814 503 E CB -0.232 29.452 29.700 -0.027 0.000 0.762 503 E HN 0.620 nan 8.360 nan 0.000 0.460 504 R N 0.436 120.914 120.500 -0.037 0.000 2.075 504 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 504 R C 1.713 177.982 176.300 -0.051 0.000 1.126 504 R CA 1.029 57.106 56.100 -0.038 0.000 0.963 504 R CB -0.109 30.172 30.300 -0.033 0.000 0.858 504 R HN 0.202 nan 8.270 nan 0.000 0.435 505 L N 0.499 121.684 121.223 -0.063 0.000 2.558 505 L HA 0.053 4.393 4.340 -0.000 0.000 0.225 505 L C 0.519 177.338 176.870 -0.084 0.000 1.128 505 L CA 0.192 54.982 54.840 -0.082 0.000 0.868 505 L CB -0.390 41.611 42.059 -0.096 0.000 1.006 505 L HN 0.448 nan 8.230 nan 0.000 0.454 506 N N 1.226 119.882 118.700 -0.073 0.000 2.727 506 N HA -0.179 4.561 4.740 -0.000 0.000 0.251 506 N C -0.477 174.972 175.510 -0.102 0.000 1.040 506 N CA -0.281 52.724 53.050 -0.075 0.000 0.712 506 N CB -0.369 38.080 38.487 -0.064 0.000 0.912 506 N HN 0.038 nan 8.380 nan 0.000 0.545 507 L N 1.511 122.669 121.223 -0.109 0.000 2.455 507 L HA 0.091 4.431 4.340 -0.000 0.000 0.272 507 L C 1.776 178.543 176.870 -0.172 0.000 1.174 507 L CA 0.728 55.482 54.840 -0.143 0.000 0.869 507 L CB 1.020 43.007 42.059 -0.121 0.000 1.130 507 L HN 0.209 nan 8.230 nan 0.000 0.474 508 R N 0.369 120.701 120.500 -0.279 0.000 2.223 508 R HA 0.172 4.512 4.340 -0.000 0.000 0.198 508 R C 0.592 176.734 176.300 -0.263 0.000 0.984 508 R CA 0.170 56.067 56.100 -0.338 0.000 1.018 508 R CB 0.068 29.979 30.300 -0.648 0.000 0.945 508 R HN 0.627 nan 8.270 nan 0.000 0.479 509 S N 0.197 115.755 115.700 -0.237 0.000 2.655 509 S HA 0.550 5.020 4.470 -0.000 0.000 0.265 509 S C 0.134 174.666 174.600 -0.114 0.000 1.240 509 S CA -0.521 57.616 58.200 -0.106 0.000 0.986 509 S CB 1.155 64.308 63.200 -0.079 0.000 0.985 509 S HN 0.369 nan 8.310 nan 0.000 0.562 510 A N 1.157 123.904 122.820 -0.123 0.000 2.425 510 A HA 0.477 4.797 4.320 -0.000 0.000 0.242 510 A C -0.228 177.261 177.584 -0.159 0.000 1.077 510 A CA -0.116 51.831 52.037 -0.150 0.000 0.781 510 A CB -0.175 18.717 19.000 -0.180 0.000 1.020 510 A HN 0.582 nan 8.150 nan 0.000 0.494 511 I N 0.642 121.132 120.570 -0.134 0.000 2.474 511 I HA 0.612 4.782 4.170 -0.000 0.000 0.294 511 I C 0.486 176.539 176.117 -0.108 0.000 1.005 511 I CA -0.127 61.098 61.300 -0.125 0.000 1.113 511 I CB 1.167 39.126 38.000 -0.069 0.000 1.289 511 I HN 0.771 nan 8.210 nan 0.000 0.436 512 A N 5.838 128.582 122.820 -0.126 0.000 2.430 512 A HA 0.889 5.209 4.320 -0.000 0.000 0.300 512 A C -1.188 176.509 177.584 0.187 0.000 1.124 512 A CA -0.544 51.498 52.037 0.010 0.000 0.766 512 A CB 1.952 20.890 19.000 -0.102 0.000 1.328 512 A HN 0.377 nan 8.150 nan 0.000 0.424 513 V N 1.136 121.234 119.914 0.306 0.000 2.656 513 V HA 0.526 4.645 4.120 -0.000 0.000 0.307 513 V C 0.026 176.333 176.094 0.355 0.000 1.051 513 V CA -0.588 61.876 62.300 0.273 0.000 0.893 513 V CB 1.669 33.584 31.823 0.154 0.000 0.999 513 V HN 1.091 nan 8.190 nan 0.000 0.426 514 V N 2.794 122.867 119.914 0.264 0.000 2.649 514 V HA 0.788 4.908 4.120 -0.000 0.000 0.292 514 V C -0.343 175.803 176.094 0.087 0.000 1.055 514 V CA -0.389 62.035 62.300 0.206 0.000 1.023 514 V CB 0.921 32.816 31.823 0.120 0.000 0.992 514 V HN 1.058 nan 8.190 nan 0.000 0.480 515 K N 2.170 122.587 120.400 0.028 0.000 2.568 515 K HA 0.706 5.026 4.320 -0.000 0.000 0.273 515 K C 0.114 176.686 176.600 -0.047 0.000 0.951 515 K CA -0.566 55.693 56.287 -0.047 0.000 0.854 515 K CB 1.541 33.963 32.500 -0.129 0.000 1.424 515 K HN 1.892 nan 8.250 nan 0.000 0.427 516 G N 0.675 109.449 108.800 -0.044 0.000 2.142 516 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.225 516 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.225 516 G C 0.516 175.391 174.900 -0.042 0.000 1.015 516 G CA 0.094 45.169 45.100 -0.041 0.000 0.716 516 G HN 0.651 nan 8.290 nan 0.000 0.508 517 C N -0.307 118.967 119.300 -0.043 0.000 2.495 517 C HA 0.166 4.626 4.460 -0.000 0.000 0.275 517 C C 2.528 177.475 174.990 -0.071 0.000 1.392 517 C CA 1.018 59.997 59.018 -0.065 0.000 1.766 517 C CB -0.443 27.263 27.740 -0.056 0.000 1.933 517 C HN 0.587 nan 8.230 nan 0.000 0.519 518 R N 0.980 121.449 120.500 -0.052 0.000 2.223 518 R HA 0.011 4.351 4.340 -0.000 0.000 0.198 518 R C 1.948 178.221 176.300 -0.046 0.000 0.984 518 R CA 1.494 57.565 56.100 -0.049 0.000 1.018 518 R CB -1.188 29.090 30.300 -0.037 0.000 0.945 518 R HN 0.687 nan 8.270 nan 0.000 0.479 519 T N -0.954 113.573 114.554 -0.044 0.000 3.065 519 T HA 0.090 4.440 4.350 -0.000 0.000 0.252 519 T C 1.175 175.849 174.700 -0.044 0.000 1.099 519 T CA -0.142 61.934 62.100 -0.040 0.000 1.063 519 T CB -0.374 68.473 68.868 -0.034 0.000 0.948 519 T HN -0.023 nan 8.240 nan 0.000 0.506 520 V N 1.691 121.571 119.914 -0.056 0.000 2.715 520 V HA 0.518 4.638 4.120 -0.000 0.000 0.299 520 V C -0.279 175.777 176.094 -0.063 0.000 1.054 520 V CA -1.003 61.260 62.300 -0.063 0.000 1.077 520 V CB 0.444 32.217 31.823 -0.082 0.000 0.972 520 V HN 0.707 nan 8.190 nan 0.000 0.484 521 Q N 1.854 121.620 119.800 -0.056 0.000 2.615 521 Q HA 0.524 4.864 4.340 -0.000 0.000 0.298 521 Q C 0.381 176.350 176.000 -0.052 0.000 1.023 521 Q CA -1.110 54.663 55.803 -0.049 0.000 0.768 521 Q CB 1.618 30.336 28.738 -0.034 0.000 1.500 521 Q HN 0.364 nan 8.270 nan 0.000 0.441 522 K N 0.860 121.234 120.400 -0.043 0.000 2.127 522 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 522 K C 1.749 178.327 176.600 -0.036 0.000 1.047 522 K CA 2.454 58.715 56.287 -0.043 0.000 0.927 522 K CB -0.862 31.621 32.500 -0.030 0.000 0.716 522 K HN 0.676 nan 8.250 nan 0.000 0.450 523 A N 0.355 123.158 122.820 -0.029 0.000 2.178 523 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 523 A C 1.180 178.744 177.584 -0.032 0.000 1.157 523 A CA 1.737 53.760 52.037 -0.023 0.000 0.689 523 A CB -0.309 18.681 19.000 -0.017 0.000 0.787 523 A HN 0.378 nan 8.150 nan 0.000 0.465 524 D N -0.630 119.743 120.400 -0.045 0.000 2.350 524 D HA 0.062 4.702 4.640 -0.000 0.000 0.213 524 D C 0.234 176.486 176.300 -0.080 0.000 1.031 524 D CA 0.214 54.179 54.000 -0.058 0.000 0.861 524 D CB -0.030 40.736 40.800 -0.058 0.000 0.926 524 D HN 0.286 nan 8.370 nan 0.000 0.520 525 M N 1.906 121.461 119.600 -0.076 0.000 2.266 525 M HA 0.082 4.562 4.480 -0.000 0.000 0.340 525 M C -0.011 176.226 176.300 -0.105 0.000 1.486 525 M CA -0.282 54.963 55.300 -0.090 0.000 1.209 525 M CB 0.652 33.209 32.600 -0.073 0.000 1.714 525 M HN -0.325 nan 8.290 nan 0.000 0.459 526 V N 6.579 126.386 119.914 -0.179 0.000 2.506 526 V HA -0.136 3.984 4.120 -0.000 0.000 0.296 526 V C 1.206 177.170 176.094 -0.217 0.000 1.004 526 V CA 0.702 62.816 62.300 -0.310 0.000 1.150 526 V CB -1.021 30.506 31.823 -0.492 0.000 0.911 526 V HN 0.902 nan 8.190 nan 0.000 0.476 527 H N 2.397 121.485 119.070 0.029 0.000 3.631 527 H HA -0.158 4.398 4.556 -0.000 0.000 0.202 527 H C 0.657 176.010 175.328 0.042 0.000 1.029 527 H CA 1.461 57.551 56.048 0.070 0.000 1.208 527 H CB -1.219 28.512 29.762 -0.051 0.000 1.124 527 H HN 0.849 nan 8.280 nan 0.000 0.329 528 N N 0.325 119.076 118.700 0.085 0.000 2.733 528 N HA 0.174 4.914 4.740 -0.000 0.000 0.271 528 N C 0.154 175.674 175.510 0.016 0.000 1.720 528 N CA 0.660 53.733 53.050 0.039 0.000 0.803 528 N CB 1.096 39.580 38.487 -0.006 0.000 1.208 528 N HN 0.298 nan 8.380 nan 0.000 0.498 529 S N -0.592 115.130 115.700 0.036 0.000 2.663 529 S HA 0.150 4.620 4.470 -0.000 0.000 0.243 529 S C 0.327 174.937 174.600 0.017 0.000 1.009 529 S CA -0.436 57.772 58.200 0.014 0.000 0.988 529 S CB 0.190 63.398 63.200 0.013 0.000 0.896 529 S HN 0.246 nan 8.310 nan 0.000 0.502 530 L N 2.576 123.816 121.223 0.028 0.000 2.453 530 L HA 0.355 4.695 4.340 -0.000 0.000 0.272 530 L C -0.111 176.765 176.870 0.010 0.000 1.182 530 L CA 0.963 55.818 54.840 0.025 0.000 0.858 530 L CB 0.491 42.573 42.059 0.038 0.000 1.120 530 L HN 0.335 nan 8.230 nan 0.000 0.474 531 Q N 6.711 126.510 119.800 -0.001 0.000 2.607 531 Q HA 0.382 4.722 4.340 -0.000 0.000 0.247 531 Q C -2.258 173.729 176.000 -0.021 0.000 1.033 531 Q CA -1.693 54.098 55.803 -0.020 0.000 0.769 531 Q CB 1.094 29.809 28.738 -0.039 0.000 1.169 531 Q HN 0.548 nan 8.270 nan 0.000 0.508 532 P HA 0.061 nan 4.420 nan 0.000 0.277 532 P C -0.555 176.733 177.300 -0.020 0.000 1.240 532 P CA -0.446 62.652 63.100 -0.003 0.000 0.798 532 P CB 0.900 32.611 31.700 0.019 0.000 0.979 533 N N 2.358 121.046 118.700 -0.019 0.000 2.968 533 N HA 0.137 4.877 4.740 -0.000 0.000 0.271 533 N C -0.512 174.993 175.510 -0.009 0.000 1.174 533 N CA -0.239 52.795 53.050 -0.026 0.000 1.096 533 N CB -1.069 37.404 38.487 -0.022 0.000 1.403 533 N HN 0.418 nan 8.380 nan 0.000 0.522 534 I N 1.982 122.551 120.570 -0.002 0.000 2.385 534 I HA 0.414 4.584 4.170 -0.000 0.000 0.294 534 I C -0.314 175.815 176.117 0.020 0.000 0.988 534 I CA -0.287 61.023 61.300 0.017 0.000 1.265 534 I CB 0.983 39.006 38.000 0.039 0.000 1.388 534 I HN 0.424 nan 8.210 nan 0.000 0.480 535 T N 4.015 118.580 114.554 0.019 0.000 2.906 535 T HA 0.686 5.036 4.350 -0.000 0.000 0.295 535 T C -0.842 173.873 174.700 0.024 0.000 1.061 535 T CA -0.739 61.373 62.100 0.019 0.000 1.000 535 T CB 1.857 70.731 68.868 0.010 0.000 1.103 535 T HN 0.278 nan 8.240 nan 0.000 0.486 536 V N 1.761 121.691 119.914 0.026 0.000 2.531 536 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 536 V C -0.329 175.792 176.094 0.045 0.000 1.034 536 V CA -0.917 61.407 62.300 0.040 0.000 0.865 536 V CB 1.742 33.588 31.823 0.038 0.000 0.995 536 V HN 1.068 nan 8.190 nan 0.000 0.424 537 D N 3.641 124.078 120.400 0.061 0.000 2.339 537 D HA 0.228 4.867 4.640 -0.000 0.000 0.256 537 D C 1.171 177.532 176.300 0.101 0.000 1.214 537 D CA 0.342 54.372 54.000 0.050 0.000 0.877 537 D CB 2.047 42.862 40.800 0.025 0.000 1.111 537 D HN 0.696 nan 8.370 nan 0.000 0.478 538 A N 4.165 127.022 122.820 0.063 0.000 2.042 538 A HA -0.262 4.058 4.320 -0.000 0.000 0.222 538 A C 1.847 179.509 177.584 0.130 0.000 1.167 538 A CA 1.686 53.778 52.037 0.093 0.000 0.649 538 A CB -0.040 18.957 19.000 -0.005 0.000 0.809 538 A HN 0.698 nan 8.150 nan 0.000 0.457 539 Q N -1.912 117.884 119.800 -0.007 0.000 2.388 539 Q HA 0.006 4.346 4.340 -0.000 0.000 0.204 539 Q C 2.168 177.905 176.000 -0.439 0.000 0.946 539 Q CA 1.286 56.986 55.803 -0.172 0.000 0.880 539 Q CB -0.031 28.639 28.738 -0.114 0.000 0.997 539 Q HN 0.731 nan 8.270 nan 0.000 0.552 540 T N -2.539 111.867 114.554 -0.246 0.000 3.088 540 T HA -0.053 4.297 4.350 -0.000 0.000 0.259 540 T C -0.105 174.501 174.700 -0.155 0.000 1.122 540 T CA 0.245 62.197 62.100 -0.245 0.000 1.095 540 T CB -0.062 68.746 68.868 -0.099 0.000 0.930 540 T HN 0.263 nan 8.240 nan 0.000 0.508 541 Y N 0.585 120.875 120.300 -0.017 0.000 4.798 541 Y HA -0.188 4.362 4.550 -0.000 0.000 0.237 541 Y C 0.259 176.144 175.900 -0.025 0.000 1.017 541 Y CA -0.304 57.783 58.100 -0.020 0.000 2.010 541 Y CB -2.940 35.506 38.460 -0.023 0.000 1.582 541 Y HN 0.526 nan 8.280 nan 0.000 0.621 542 E N 0.260 120.524 120.200 0.107 0.000 2.384 542 E HA 0.355 4.704 4.350 -0.000 0.000 0.266 542 E C 0.044 176.670 176.600 0.043 0.000 1.012 542 E CA -0.200 56.232 56.400 0.053 0.000 0.901 542 E CB 1.167 30.880 29.700 0.023 0.000 0.967 542 E HN 0.015 nan 8.360 nan 0.000 0.435 543 V N 4.702 124.630 119.914 0.024 0.000 2.439 543 V HA 0.327 4.447 4.120 -0.000 0.000 0.282 543 V C 0.171 176.272 176.094 0.012 0.000 1.039 543 V CA -0.307 62.003 62.300 0.016 0.000 0.913 543 V CB 1.010 32.833 31.823 0.000 0.000 0.983 543 V HN 0.608 nan 8.190 nan 0.000 0.460 544 R N 3.117 123.625 120.500 0.014 0.000 2.621 544 R HA 0.709 5.049 4.340 -0.000 0.000 0.284 544 R C -1.733 174.573 176.300 0.010 0.000 0.998 544 R CA -0.711 55.395 56.100 0.010 0.000 0.895 544 R CB 2.581 32.886 30.300 0.009 0.000 1.195 544 R HN 0.483 nan 8.270 nan 0.000 0.450 545 V N 3.476 123.395 119.914 0.009 0.000 2.378 545 V HA 0.157 4.277 4.120 -0.000 0.000 0.288 545 V C -0.275 175.822 176.094 0.005 0.000 1.016 545 V CA -0.498 61.807 62.300 0.008 0.000 0.840 545 V CB 1.422 33.252 31.823 0.011 0.000 0.994 545 V HN 0.858 nan 8.190 nan 0.000 0.431 546 D N 4.493 124.894 120.400 0.002 0.000 2.772 546 D HA -0.203 4.437 4.640 -0.000 0.000 0.233 546 D C 1.354 177.655 176.300 0.001 0.000 1.143 546 D CA 1.721 55.721 54.000 -0.000 0.000 0.700 546 D CB -1.099 39.701 40.800 0.001 0.000 1.076 546 D HN 1.318 nan 8.370 nan 0.000 0.430 547 G N -0.127 108.674 108.800 0.002 0.000 2.347 547 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.247 547 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.247 547 G C 0.196 175.098 174.900 0.003 0.000 1.037 547 G CA 0.795 45.896 45.100 0.002 0.000 0.622 547 G HN 0.726 nan 8.290 nan 0.000 0.521 548 E N 1.152 121.355 120.200 0.004 0.000 2.366 548 E HA 0.556 4.906 4.350 -0.000 0.000 0.266 548 E C 0.017 176.621 176.600 0.007 0.000 1.051 548 E CA -0.931 55.472 56.400 0.006 0.000 0.884 548 E CB 1.552 31.256 29.700 0.007 0.000 1.006 548 E HN 0.388 nan 8.360 nan 0.000 0.417 549 L N 3.690 124.917 121.223 0.007 0.000 2.367 549 L HA 0.202 4.542 4.340 -0.000 0.000 0.275 549 L C -0.818 176.056 176.870 0.008 0.000 1.129 549 L CA -0.254 54.591 54.840 0.007 0.000 0.839 549 L CB 0.677 42.741 42.059 0.008 0.000 1.133 549 L HN 0.567 nan 8.230 nan 0.000 0.453 550 I N 5.072 125.644 120.570 0.004 0.000 2.330 550 I HA 0.472 4.642 4.170 -0.000 0.000 0.289 550 I C 0.283 176.397 176.117 -0.005 0.000 1.001 550 I CA -0.044 61.255 61.300 -0.000 0.000 1.193 550 I CB 0.653 38.648 38.000 -0.008 0.000 1.345 550 I HN 0.672 nan 8.210 nan 0.000 0.461 551 T N 4.136 118.693 114.554 0.006 0.000 2.739 551 T HA 0.731 5.081 4.350 -0.000 0.000 0.303 551 T C -1.187 173.539 174.700 0.044 0.000 1.389 551 T CA -0.320 61.789 62.100 0.014 0.000 1.001 551 T CB 1.552 70.434 68.868 0.024 0.000 1.436 551 T HN 0.757 nan 8.240 nan 0.000 0.500 552 S N 0.896 116.650 115.700 0.090 0.000 2.588 552 S HA 0.716 5.186 4.470 -0.000 0.000 0.269 552 S C -1.809 172.925 174.600 0.224 0.000 1.157 552 S CA -1.000 57.281 58.200 0.134 0.000 0.824 552 S CB 1.836 65.118 63.200 0.137 0.000 1.126 552 S HN 0.623 nan 8.310 nan 0.000 0.464 553 E N 1.904 122.182 120.200 0.131 0.000 2.242 553 E HA 0.496 4.846 4.350 -0.000 0.000 0.275 553 E C -2.540 173.975 176.600 -0.141 0.000 1.002 553 E CA -2.221 54.203 56.400 0.041 0.000 0.841 553 E CB 1.288 30.987 29.700 -0.001 0.000 1.109 553 E HN 0.505 nan 8.360 nan 0.000 0.394 554 P HA 0.128 nan 4.420 nan 0.000 0.276 554 P C -0.864 176.237 177.300 -0.332 0.000 1.235 554 P CA -0.223 62.382 63.100 -0.825 0.000 0.772 554 P CB 0.845 31.933 31.700 -1.020 0.000 0.871 555 A N 3.360 126.046 122.820 -0.223 0.000 2.340 555 A HA 0.253 4.573 4.320 -0.000 0.000 0.268 555 A C 1.191 178.726 177.584 -0.082 0.000 1.100 555 A CA -0.411 51.570 52.037 -0.092 0.000 0.803 555 A CB 0.143 19.130 19.000 -0.021 0.000 1.043 555 A HN 0.654 nan 8.150 nan 0.000 0.488 556 D N 0.477 120.850 120.400 -0.045 0.000 2.380 556 D HA 0.117 4.757 4.640 -0.000 0.000 0.212 556 D C 0.064 176.357 176.300 -0.011 0.000 1.021 556 D CA 0.534 54.515 54.000 -0.033 0.000 0.884 556 D CB 0.096 40.880 40.800 -0.027 0.000 1.001 556 D HN 0.204 nan 8.370 nan 0.000 0.506 557 V N 0.784 120.700 119.914 0.003 0.000 2.888 557 V HA 0.440 4.560 4.120 -0.000 0.000 0.309 557 V C -0.749 175.357 176.094 0.021 0.000 1.114 557 V CA -0.867 61.440 62.300 0.012 0.000 0.940 557 V CB 2.728 34.559 31.823 0.013 0.000 1.021 557 V HN 0.046 nan 8.190 nan 0.000 0.426 558 L N 3.860 125.088 121.223 0.009 0.000 2.350 558 L HA 0.673 5.013 4.340 -0.000 0.000 0.260 558 L C -2.534 174.301 176.870 -0.057 0.000 1.015 558 L CA -1.756 53.073 54.840 -0.019 0.000 0.821 558 L CB 2.832 44.894 42.059 0.004 0.000 1.370 558 L HN 0.455 nan 8.230 nan 0.000 0.416 559 P HA 0.366 nan 4.420 nan 0.000 0.279 559 P C -0.370 176.934 177.300 0.007 0.000 1.282 559 P CA -0.560 62.463 63.100 -0.128 0.000 0.788 559 P CB 0.384 31.884 31.700 -0.333 0.000 1.139 560 M N -2.603 117.070 119.600 0.123 0.000 2.302 560 M HA -0.275 4.205 4.480 -0.000 0.000 0.200 560 M C 0.221 176.690 176.300 0.282 0.000 0.366 560 M CA 0.783 56.141 55.300 0.097 0.000 0.440 560 M CB -2.248 30.317 32.600 -0.058 0.000 1.475 560 M HN 0.493 nan 8.290 nan 0.000 0.905 561 A N -0.259 122.772 122.820 0.352 0.000 2.677 561 A HA 0.308 4.628 4.320 -0.000 0.000 0.197 561 A C 1.028 178.840 177.584 0.381 0.000 1.471 561 A CA 0.229 52.467 52.037 0.335 0.000 1.527 561 A CB 0.039 19.131 19.000 0.152 0.000 1.695 561 A HN 0.440 nan 8.150 nan 0.000 0.557 562 Q N -0.244 119.676 119.800 0.199 0.000 2.443 562 Q HA -0.116 4.224 4.340 -0.000 0.000 0.213 562 Q C 1.931 177.965 176.000 0.057 0.000 0.982 562 Q CA 1.341 57.226 55.803 0.137 0.000 0.894 562 Q CB -0.096 28.681 28.738 0.065 0.000 0.947 562 Q HN 0.539 nan 8.270 nan 0.000 0.480 563 R N -0.626 119.865 120.500 -0.015 0.000 2.200 563 R HA -0.091 4.249 4.340 -0.000 0.000 0.208 563 R C 0.804 176.873 176.300 -0.385 0.000 1.033 563 R CA 0.923 56.867 56.100 -0.260 0.000 1.000 563 R CB 0.284 30.308 30.300 -0.459 0.000 0.906 563 R HN 0.274 nan 8.270 nan 0.000 0.462 564 Y N -1.654 118.593 120.300 -0.089 0.000 2.535 564 Y HA 0.248 4.798 4.550 -0.000 0.000 0.266 564 Y C -0.013 175.628 175.900 -0.431 0.000 1.088 564 Y CA -0.395 57.549 58.100 -0.260 0.000 1.285 564 Y CB 0.442 38.635 38.460 -0.444 0.000 1.166 564 Y HN -0.163 nan 8.280 nan 0.000 0.525 565 F N -0.073 119.997 119.950 0.201 0.000 2.422 565 F HA 0.280 4.807 4.527 -0.000 0.000 0.333 565 F C 0.791 176.618 175.800 0.044 0.000 1.095 565 F CA -0.934 57.148 58.000 0.136 0.000 1.038 565 F CB 1.318 40.398 39.000 0.133 0.000 1.156 565 F HN -0.215 nan 8.300 nan 0.000 0.483 566 L N 1.787 123.132 121.223 0.204 0.000 2.313 566 L HA 0.243 4.582 4.340 -0.000 0.000 0.214 566 L C -0.645 176.026 176.870 -0.331 0.000 1.119 566 L CA 1.561 56.360 54.840 -0.068 0.000 0.809 566 L CB -0.384 41.653 42.059 -0.038 0.000 0.933 566 L HN 0.446 nan 8.230 nan 0.000 0.449 567 F N 0.000 120.043 119.950 0.155 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.051 58.000 0.086 0.000 1.383 567 F CB 0.000 39.032 39.000 0.053 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574