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 3gol_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINPLSNSL LRHHNMVYAT TSRSASLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSIEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSRAVNHIR SVWEDLLEDT ETPIDTTIMA KSEVFCVQPX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQAVMGSS YGFQYSPKQR DATA SEQUENCE VEFLVNTWKS KKCPMGFSYD TRCFDSTVTE SDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIRSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAT DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAAALRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPINSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFTLHSYSPG EINRVASCLR KLGVPPLRTW DATA SEQUENCE RHRARSVRAK LLSQGGRAAT CGRYLFNWAV RTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.574 174.600 -0.043 0.000 1.055 1 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 1 S CB 0.000 63.170 63.200 -0.050 0.000 0.593 2 M N 3.226 122.789 119.600 -0.063 0.000 2.216 2 M HA 0.350 4.830 4.480 -0.000 0.000 0.356 2 M C 1.806 177.998 176.300 -0.180 0.000 1.205 2 M CA -0.337 54.914 55.300 -0.082 0.000 1.122 2 M CB 1.023 33.592 32.600 -0.052 0.000 1.571 2 M HN 1.059 nan 8.290 nan 0.000 0.464 3 S N 2.292 117.834 115.700 -0.264 0.000 2.402 3 S HA -0.047 4.423 4.470 -0.000 0.000 0.229 3 S C 0.075 174.231 174.600 -0.739 0.000 1.021 3 S CA 0.859 58.790 58.200 -0.449 0.000 0.974 3 S CB -0.129 62.783 63.200 -0.480 0.000 0.800 3 S HN 0.647 nan 8.310 nan 0.000 0.484 4 Y N -0.248 119.910 120.300 -0.237 0.000 2.571 4 Y HA 0.543 5.093 4.550 -0.000 0.000 0.341 4 Y C -0.381 175.217 175.900 -0.503 0.000 1.076 4 Y CA -1.006 56.824 58.100 -0.449 0.000 1.029 4 Y CB 2.070 40.153 38.460 -0.628 0.000 1.308 4 Y HN -0.154 nan 8.280 nan 0.000 0.461 5 T N 1.532 115.799 114.554 -0.477 0.000 2.848 5 T HA 0.409 4.758 4.350 -0.000 0.000 0.285 5 T C -1.408 172.982 174.700 -0.517 0.000 0.995 5 T CA -0.776 61.107 62.100 -0.361 0.000 0.970 5 T CB 0.588 69.368 68.868 -0.146 0.000 0.976 5 T HN 0.434 nan 8.240 nan 0.000 0.441 6 W N 1.313 122.675 121.300 0.103 0.000 2.606 6 W HA 0.414 5.074 4.660 0.000 0.000 0.332 6 W C 1.524 178.078 176.519 0.058 0.000 1.052 6 W CA -0.910 56.481 57.345 0.078 0.000 1.223 6 W CB 1.129 30.620 29.460 0.052 0.000 1.383 6 W HN 0.785 nan 8.180 nan 0.000 0.524 7 T N -2.138 112.585 114.554 0.281 0.000 3.009 7 T HA 0.313 4.663 4.350 -0.000 0.000 0.258 7 T C 1.433 176.223 174.700 0.149 0.000 1.063 7 T CA 1.046 63.247 62.100 0.168 0.000 1.139 7 T CB 0.001 68.948 68.868 0.130 0.000 0.890 7 T HN 1.081 nan 8.240 nan 0.000 0.471 8 G N 1.159 110.060 108.800 0.170 0.000 2.380 8 G HA2 0.125 4.085 3.960 -0.000 0.000 0.197 8 G HA3 0.125 4.085 3.960 -0.000 0.000 0.197 8 G C 0.357 175.299 174.900 0.070 0.000 1.001 8 G CA -0.123 45.035 45.100 0.098 0.000 0.668 8 G HN 1.005 nan 8.290 nan 0.000 0.483 9 A N 0.737 123.610 122.820 0.090 0.000 2.445 9 A HA 0.677 4.997 4.320 -0.000 0.000 0.242 9 A C 0.567 178.180 177.584 0.049 0.000 1.075 9 A CA 0.273 52.349 52.037 0.065 0.000 0.777 9 A CB 0.206 19.251 19.000 0.075 0.000 1.013 9 A HN 0.866 nan 8.150 nan 0.000 0.493 10 L N 1.950 123.186 121.223 0.021 0.000 2.379 10 L HA 0.303 4.643 4.340 -0.000 0.000 0.269 10 L C 0.070 176.942 176.870 0.003 0.000 1.084 10 L CA -0.642 54.194 54.840 -0.007 0.000 0.802 10 L CB 0.844 42.897 42.059 -0.010 0.000 1.175 10 L HN 0.496 nan 8.230 nan 0.000 0.448 11 I N 1.820 122.377 120.570 -0.023 0.000 2.406 11 I HA 0.069 4.238 4.170 -0.000 0.000 0.293 11 I C 0.666 176.785 176.117 0.005 0.000 1.101 11 I CA 0.109 61.407 61.300 -0.004 0.000 1.334 11 I CB 0.019 38.001 38.000 -0.030 0.000 1.421 11 I HN 0.652 nan 8.210 nan 0.000 0.513 12 T N 5.784 120.350 114.554 0.019 0.000 2.922 12 T HA 0.526 4.876 4.350 -0.000 0.000 0.285 12 T C -2.123 172.595 174.700 0.031 0.000 1.005 12 T CA -1.578 60.534 62.100 0.020 0.000 1.061 12 T CB 1.655 70.534 68.868 0.019 0.000 1.007 12 T HN 0.351 nan 8.240 nan 0.000 0.502 13 P HA 0.274 nan 4.420 nan 0.000 0.277 13 P C 0.125 177.450 177.300 0.042 0.000 1.276 13 P CA -0.646 62.478 63.100 0.040 0.000 0.788 13 P CB 0.747 32.470 31.700 0.039 0.000 1.114 14 C N -1.526 117.802 119.300 0.047 0.000 2.735 14 C HA 0.620 5.080 4.460 -0.000 0.000 0.444 14 C C 1.065 176.076 174.990 0.036 0.000 1.331 14 C CA 0.938 59.983 59.018 0.045 0.000 2.225 14 C CB -0.443 27.332 27.740 0.058 0.000 2.917 14 C HN 0.712 nan 8.230 nan 0.000 0.567 15 A N 0.410 123.253 122.820 0.039 0.000 2.548 15 A HA 0.850 5.170 4.320 -0.000 0.000 0.262 15 A C -0.297 177.312 177.584 0.040 0.000 1.271 15 A CA 0.327 52.385 52.037 0.034 0.000 0.839 15 A CB -0.216 18.805 19.000 0.033 0.000 1.381 15 A HN 0.816 nan 8.150 nan 0.000 0.468 16 A N -0.467 122.378 122.820 0.041 0.000 2.386 16 A HA 0.551 4.871 4.320 -0.000 0.000 0.248 16 A C -0.201 177.423 177.584 0.068 0.000 1.082 16 A CA 0.103 52.170 52.037 0.050 0.000 0.789 16 A CB -0.160 18.867 19.000 0.045 0.000 1.025 16 A HN 0.636 nan 8.150 nan 0.000 0.490 17 E N 0.503 120.751 120.200 0.080 0.000 2.234 17 E HA 0.336 4.686 4.350 -0.000 0.000 0.266 17 E C -1.083 175.600 176.600 0.139 0.000 0.877 17 E CA -0.515 55.950 56.400 0.109 0.000 0.758 17 E CB 2.061 31.818 29.700 0.095 0.000 1.170 17 E HN 0.722 nan 8.360 nan 0.000 0.415 18 E N 1.091 121.414 120.200 0.205 0.000 2.249 18 E HA 0.118 4.467 4.350 -0.000 0.000 0.280 18 E C 0.274 177.077 176.600 0.339 0.000 1.016 18 E CA -0.032 56.526 56.400 0.264 0.000 0.830 18 E CB 1.177 31.062 29.700 0.309 0.000 1.081 18 E HN 0.616 nan 8.360 nan 0.000 0.395 19 S N 3.510 119.388 115.700 0.298 0.000 2.510 19 S HA 0.122 4.592 4.470 -0.000 0.000 0.230 19 S C 0.707 175.570 174.600 0.439 0.000 1.066 19 S CA 0.026 58.410 58.200 0.306 0.000 0.941 19 S CB 0.335 63.666 63.200 0.218 0.000 0.829 19 S HN 0.239 nan 8.310 nan 0.000 0.530 20 K N 0.665 121.283 120.400 0.363 0.000 2.087 20 K HA 0.491 4.811 4.320 -0.000 0.000 0.255 20 K C -1.171 175.602 176.600 0.290 0.000 0.988 20 K CA -0.808 55.688 56.287 0.348 0.000 0.915 20 K CB 1.047 33.673 32.500 0.211 0.000 1.043 20 K HN 0.209 nan 8.250 nan 0.000 0.457 21 L N 4.029 125.398 121.223 0.245 0.000 2.281 21 L HA 0.300 4.640 4.340 -0.000 0.000 0.285 21 L C -2.380 174.424 176.870 -0.110 0.000 1.074 21 L CA -1.616 53.208 54.840 -0.027 0.000 0.817 21 L CB 0.482 42.644 42.059 0.172 0.000 1.168 21 L HN 0.410 nan 8.230 nan 0.000 0.434 22 P HA 0.108 nan 4.420 nan 0.000 0.271 22 P C -0.445 176.727 177.300 -0.214 0.000 1.216 22 P CA -0.344 62.642 63.100 -0.190 0.000 0.776 22 P CB 0.482 32.068 31.700 -0.189 0.000 0.881 23 I N 2.800 123.212 120.570 -0.264 0.000 2.455 23 I HA 0.045 4.215 4.170 -0.000 0.000 0.303 23 I C -0.036 175.988 176.117 -0.155 0.000 1.180 23 I CA -0.224 60.891 61.300 -0.309 0.000 1.469 23 I CB -1.765 36.002 38.000 -0.388 0.000 1.480 23 I HN 0.222 nan 8.210 nan 0.000 0.669 24 N N 7.641 126.271 118.700 -0.116 0.000 2.456 24 N HA 0.456 5.196 4.740 -0.000 0.000 0.288 24 N C -1.947 173.540 175.510 -0.037 0.000 1.059 24 N CA -1.955 51.052 53.050 -0.072 0.000 0.946 24 N CB 1.528 39.970 38.487 -0.075 0.000 1.150 24 N HN 0.115 nan 8.380 nan 0.000 0.479 25 P HA -0.211 nan 4.420 nan 0.000 0.217 25 P C 1.216 178.517 177.300 0.002 0.000 1.162 25 P CA 1.465 64.558 63.100 -0.011 0.000 0.901 25 P CB 0.226 31.918 31.700 -0.014 0.000 0.793 26 L N -1.712 119.512 121.223 0.002 0.000 2.307 26 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 26 L C 2.581 179.495 176.870 0.073 0.000 1.099 26 L CA 0.856 55.710 54.840 0.023 0.000 0.816 26 L CB -0.580 41.474 42.059 -0.010 0.000 0.952 26 L HN 0.038 nan 8.230 nan 0.000 0.455 27 S N 0.680 116.401 115.700 0.036 0.000 2.351 27 S HA -0.291 4.179 4.470 -0.000 0.000 0.220 27 S C 1.896 176.526 174.600 0.050 0.000 1.035 27 S CA 2.186 60.405 58.200 0.031 0.000 1.031 27 S CB -0.351 62.845 63.200 -0.007 0.000 0.928 27 S HN 0.486 nan 8.310 nan 0.000 0.433 28 N N 1.126 119.859 118.700 0.055 0.000 2.192 28 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 28 N C 1.942 177.485 175.510 0.055 0.000 1.013 28 N CA 1.794 54.892 53.050 0.081 0.000 0.863 28 N CB -0.810 37.721 38.487 0.073 0.000 0.990 28 N HN 0.566 nan 8.380 nan 0.000 0.430 29 S N -0.583 115.150 115.700 0.054 0.000 2.370 29 S HA -0.135 4.335 4.470 -0.000 0.000 0.226 29 S C 1.886 176.541 174.600 0.092 0.000 1.033 29 S CA 1.017 59.253 58.200 0.059 0.000 1.011 29 S CB -0.519 62.731 63.200 0.083 0.000 0.852 29 S HN 0.309 nan 8.310 nan 0.000 0.457 30 L N 0.553 121.829 121.223 0.088 0.000 2.005 30 L HA 0.469 4.809 4.340 -0.000 0.000 0.207 30 L C 0.660 177.565 176.870 0.058 0.000 1.072 30 L CA 1.610 56.466 54.840 0.028 0.000 0.744 30 L CB -0.423 41.472 42.059 -0.273 0.000 0.895 30 L HN 0.577 nan 8.230 nan 0.000 0.433 31 L N -1.000 120.238 121.223 0.026 0.000 2.516 31 L HA 0.326 4.666 4.340 -0.000 0.000 0.267 31 L C 0.561 177.432 176.870 0.001 0.000 0.957 31 L CA -0.420 54.422 54.840 0.004 0.000 0.860 31 L CB 1.438 43.513 42.059 0.027 0.000 1.265 31 L HN 0.022 nan 8.230 nan 0.000 0.403 32 R N 1.452 121.889 120.500 -0.105 0.000 2.280 32 R HA 0.134 4.474 4.340 -0.000 0.000 0.195 32 R C 0.005 176.218 176.300 -0.145 0.000 0.935 32 R CA 0.245 56.286 56.100 -0.099 0.000 1.033 32 R CB 0.129 30.349 30.300 -0.134 0.000 0.964 32 R HN 0.632 nan 8.270 nan 0.000 0.489 33 H N 0.756 119.757 119.070 -0.115 0.000 2.640 33 H HA 0.064 4.619 4.556 -0.000 0.000 0.220 33 H C 0.562 175.801 175.328 -0.148 0.000 1.852 33 H CA -0.530 55.409 56.048 -0.182 0.000 1.275 33 H CB 0.013 29.735 29.762 -0.066 0.000 1.675 33 H HN 0.386 nan 8.280 nan 0.000 0.523 34 H N -0.597 118.570 119.070 0.161 0.000 2.394 34 H HA -0.219 4.337 4.556 -0.000 0.000 0.297 34 H C 1.434 176.856 175.328 0.158 0.000 1.113 34 H CA 1.635 57.763 56.048 0.135 0.000 1.277 34 H CB -0.344 29.472 29.762 0.091 0.000 1.370 34 H HN 0.476 nan 8.280 nan 0.000 0.506 35 N N 0.303 119.111 118.700 0.179 0.000 2.272 35 N HA -0.128 4.612 4.740 -0.000 0.000 0.185 35 N C 1.473 177.081 175.510 0.163 0.000 1.014 35 N CA 1.254 54.407 53.050 0.171 0.000 0.870 35 N CB -0.063 38.481 38.487 0.095 0.000 0.975 35 N HN 0.260 nan 8.380 nan 0.000 0.433 36 M N 0.541 120.229 119.600 0.147 0.000 2.144 36 M HA -0.080 4.400 4.480 -0.000 0.000 0.260 36 M C 0.360 176.809 176.300 0.248 0.000 1.067 36 M CA 0.893 56.292 55.300 0.166 0.000 1.095 36 M CB -0.661 32.037 32.600 0.163 0.000 1.365 36 M HN -0.079 nan 8.290 nan 0.000 0.406 37 V N 0.943 121.018 119.914 0.268 0.000 2.607 37 V HA 0.163 4.283 4.120 -0.000 0.000 0.289 37 V C -0.546 175.786 176.094 0.397 0.000 1.053 37 V CA -0.584 61.891 62.300 0.292 0.000 0.996 37 V CB 0.550 32.558 31.823 0.308 0.000 0.995 37 V HN 0.374 nan 8.190 nan 0.000 0.476 38 Y N 2.012 122.414 120.300 0.170 0.000 2.513 38 Y HA 0.849 5.399 4.550 -0.000 0.000 0.340 38 Y C -0.337 175.541 175.900 -0.035 0.000 1.055 38 Y CA -1.414 56.769 58.100 0.138 0.000 1.020 38 Y CB 1.094 39.627 38.460 0.121 0.000 1.301 38 Y HN 0.740 nan 8.280 nan 0.000 0.453 39 A N 2.281 125.008 122.820 -0.156 0.000 2.327 39 A HA 0.621 4.941 4.320 -0.000 0.000 0.283 39 A C 0.227 177.845 177.584 0.056 0.000 1.127 39 A CA -0.142 51.682 52.037 -0.354 0.000 0.810 39 A CB 0.032 18.685 19.000 -0.578 0.000 1.066 39 A HN 1.039 nan 8.150 nan 0.000 0.492 40 T N 0.119 114.705 114.554 0.052 0.000 2.869 40 T HA 0.549 4.899 4.350 -0.000 0.000 0.295 40 T C 0.396 175.154 174.700 0.097 0.000 0.987 40 T CA 0.212 62.415 62.100 0.172 0.000 1.109 40 T CB 0.796 69.784 68.868 0.201 0.000 0.932 40 T HN 1.159 nan 8.240 nan 0.000 0.518 41 T N -1.207 113.409 114.554 0.103 0.000 2.807 41 T HA 0.477 4.827 4.350 -0.000 0.000 0.277 41 T C 1.465 176.199 174.700 0.057 0.000 1.006 41 T CA -0.207 61.939 62.100 0.076 0.000 1.006 41 T CB 1.094 70.010 68.868 0.080 0.000 1.274 41 T HN 0.689 nan 8.240 nan 0.000 0.569 42 S N -0.664 115.063 115.700 0.046 0.000 2.515 42 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 42 S C 1.835 176.442 174.600 0.012 0.000 0.987 42 S CA -0.004 58.212 58.200 0.027 0.000 0.936 42 S CB -0.568 62.648 63.200 0.027 0.000 0.766 42 S HN 0.688 nan 8.310 nan 0.000 0.528 43 R N 1.609 122.121 120.500 0.021 0.000 2.152 43 R HA -0.012 4.328 4.340 -0.000 0.000 0.232 43 R C 1.891 178.189 176.300 -0.004 0.000 1.117 43 R CA 1.495 57.600 56.100 0.009 0.000 0.981 43 R CB -0.304 30.008 30.300 0.019 0.000 0.870 43 R HN 0.652 nan 8.270 nan 0.000 0.451 44 S N -0.461 115.243 115.700 0.006 0.000 2.575 44 S HA 0.175 4.645 4.470 -0.000 0.000 0.215 44 S C 1.779 176.363 174.600 -0.028 0.000 0.966 44 S CA 0.276 58.472 58.200 -0.006 0.000 0.911 44 S CB 0.747 63.958 63.200 0.018 0.000 0.780 44 S HN 0.293 nan 8.310 nan 0.000 0.514 45 A N 2.928 125.725 122.820 -0.038 0.000 1.908 45 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 45 A C 2.460 179.961 177.584 -0.138 0.000 1.181 45 A CA 2.005 53.997 52.037 -0.074 0.000 0.627 45 A CB -1.310 17.644 19.000 -0.076 0.000 0.818 45 A HN 0.722 nan 8.150 nan 0.000 0.445 46 S N -0.568 115.044 115.700 -0.146 0.000 2.419 46 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 46 S C 1.870 176.372 174.600 -0.163 0.000 1.016 46 S CA 1.443 59.522 58.200 -0.202 0.000 0.974 46 S CB -0.555 62.547 63.200 -0.162 0.000 0.786 46 S HN 0.409 nan 8.310 nan 0.000 0.492 47 L N 1.553 122.715 121.223 -0.102 0.000 2.046 47 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 47 L C 2.756 179.589 176.870 -0.061 0.000 1.077 47 L CA 1.897 56.696 54.840 -0.069 0.000 0.747 47 L CB -0.610 41.421 42.059 -0.047 0.000 0.896 47 L HN 0.331 nan 8.230 nan 0.000 0.432 48 R N -0.418 120.042 120.500 -0.067 0.000 2.073 48 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 48 R C 2.187 178.446 176.300 -0.067 0.000 1.134 48 R CA 1.845 57.919 56.100 -0.043 0.000 0.952 48 R CB -0.565 29.714 30.300 -0.034 0.000 0.850 48 R HN 0.513 nan 8.270 nan 0.000 0.433 49 Q N 0.212 119.896 119.800 -0.194 0.000 2.062 49 Q HA -0.224 4.116 4.340 -0.000 0.000 0.209 49 Q C 1.973 177.919 176.000 -0.090 0.000 0.996 49 Q CA 1.816 57.431 55.803 -0.313 0.000 0.859 49 Q CB -0.216 28.038 28.738 -0.807 0.000 0.920 49 Q HN 0.128 nan 8.270 nan 0.000 0.415 50 K N 1.262 121.612 120.400 -0.083 0.000 2.020 50 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 50 K C 1.901 178.571 176.600 0.117 0.000 1.050 50 K CA 1.518 57.822 56.287 0.029 0.000 0.929 50 K CB -0.280 32.221 32.500 0.001 0.000 0.714 50 K HN 0.118 nan 8.250 nan 0.000 0.443 51 K N 0.018 120.475 120.400 0.093 0.000 2.211 51 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 51 K C 1.884 178.657 176.600 0.289 0.000 1.047 51 K CA 0.807 57.181 56.287 0.144 0.000 0.935 51 K CB 0.106 32.662 32.500 0.093 0.000 0.728 51 K HN -0.081 nan 8.250 nan 0.000 0.452 52 V N 0.339 120.419 119.914 0.277 0.000 3.565 52 V HA -0.012 4.108 4.120 -0.000 0.000 0.260 52 V C 0.039 176.298 176.094 0.275 0.000 1.231 52 V CA 0.601 63.092 62.300 0.318 0.000 1.100 52 V CB 0.913 32.835 31.823 0.164 0.000 0.807 52 V HN 0.150 nan 8.190 nan 0.000 0.454 53 T N 3.820 118.585 114.554 0.352 0.000 2.727 53 T HA 0.568 4.918 4.350 -0.000 0.000 0.298 53 T C -0.647 174.253 174.700 0.334 0.000 0.942 53 T CA -0.027 62.275 62.100 0.336 0.000 0.997 53 T CB -0.083 69.080 68.868 0.492 0.000 0.917 53 T HN 0.336 nan 8.240 nan 0.000 0.487 54 F N -0.298 119.762 119.950 0.183 0.000 2.741 54 F HA 0.666 5.193 4.527 -0.000 0.000 0.313 54 F C -1.057 174.786 175.800 0.073 0.000 1.153 54 F CA -1.777 56.290 58.000 0.112 0.000 0.931 54 F CB 0.824 39.878 39.000 0.091 0.000 1.335 54 F HN 0.248 nan 8.300 nan 0.000 0.460 55 D N 0.299 120.880 120.400 0.302 0.000 2.255 55 D HA 0.589 5.229 4.640 -0.000 0.000 0.249 55 D C -0.983 175.471 176.300 0.256 0.000 1.078 55 D CA -0.073 54.031 54.000 0.174 0.000 0.896 55 D CB 0.920 41.790 40.800 0.117 0.000 1.194 55 D HN 0.583 nan 8.370 nan 0.000 0.429 56 R N 1.860 122.446 120.500 0.142 0.000 2.670 56 R HA 0.712 5.052 4.340 -0.000 0.000 0.289 56 R C -1.008 175.332 176.300 0.066 0.000 0.965 56 R CA -0.651 55.532 56.100 0.140 0.000 0.899 56 R CB 1.372 31.739 30.300 0.112 0.000 1.173 56 R HN 0.345 nan 8.270 nan 0.000 0.456 57 L N 1.286 122.542 121.223 0.055 0.000 2.408 57 L HA 0.556 4.895 4.340 -0.000 0.000 0.268 57 L C -0.713 176.167 176.870 0.017 0.000 0.986 57 L CA -0.673 54.181 54.840 0.025 0.000 0.820 57 L CB 2.225 44.295 42.059 0.019 0.000 1.303 57 L HN 0.471 nan 8.230 nan 0.000 0.411 58 Q N 2.199 122.001 119.800 0.002 0.000 2.292 58 Q HA 0.634 4.974 4.340 -0.000 0.000 0.270 58 Q C -1.864 174.126 176.000 -0.016 0.000 1.024 58 Q CA -0.525 55.278 55.803 0.001 0.000 0.768 58 Q CB 2.791 31.520 28.738 -0.014 0.000 1.250 58 Q HN 0.503 nan 8.270 nan 0.000 0.447 59 V N 5.810 125.724 119.914 0.001 0.000 2.376 59 V HA 0.426 4.546 4.120 -0.000 0.000 0.287 59 V C -0.272 175.846 176.094 0.040 0.000 1.015 59 V CA -0.556 61.740 62.300 -0.006 0.000 0.834 59 V CB 1.283 33.099 31.823 -0.012 0.000 1.001 59 V HN 0.732 nan 8.190 nan 0.000 0.428 60 L N 4.697 125.900 121.223 -0.034 0.000 2.387 60 L HA 0.778 5.118 4.340 -0.000 0.000 0.266 60 L C -0.191 176.703 176.870 0.041 0.000 1.059 60 L CA -0.556 54.248 54.840 -0.061 0.000 0.801 60 L CB 1.709 43.491 42.059 -0.461 0.000 1.223 60 L HN 0.728 nan 8.230 nan 0.000 0.456 61 D N -1.510 118.971 120.400 0.135 0.000 2.798 61 D HA 0.141 4.781 4.640 -0.000 0.000 0.308 61 D C -0.166 176.204 176.300 0.117 0.000 1.187 61 D CA -0.477 53.603 54.000 0.134 0.000 1.033 61 D CB 0.694 41.609 40.800 0.192 0.000 1.445 61 D HN 0.303 nan 8.370 nan 0.000 0.550 62 D N -1.037 119.380 120.400 0.027 0.000 2.219 62 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 62 D C 1.679 177.930 176.300 -0.081 0.000 0.970 62 D CA 1.115 55.075 54.000 -0.067 0.000 0.851 62 D CB -0.178 40.516 40.800 -0.176 0.000 0.943 62 D HN 0.386 nan 8.370 nan 0.000 0.488 63 H N -0.955 118.177 119.070 0.104 0.000 2.395 63 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 63 H C 1.873 177.232 175.328 0.052 0.000 1.070 63 H CA 0.855 56.954 56.048 0.084 0.000 1.356 63 H CB -0.392 29.442 29.762 0.120 0.000 1.401 63 H HN 0.297 nan 8.280 nan 0.000 0.524 64 Y N 2.183 122.502 120.300 0.033 0.000 2.181 64 Y HA -0.197 4.353 4.550 -0.000 0.000 0.288 64 Y C 2.597 178.440 175.900 -0.094 0.000 1.146 64 Y CA 1.417 59.423 58.100 -0.156 0.000 1.164 64 Y CB 0.076 38.352 38.460 -0.307 0.000 0.982 64 Y HN -0.037 nan 8.280 nan 0.000 0.515 65 R N -0.072 120.541 120.500 0.188 0.000 2.073 65 R HA -0.118 4.222 4.340 -0.000 0.000 0.229 65 R C 1.732 178.035 176.300 0.004 0.000 1.120 65 R CA 1.379 57.543 56.100 0.107 0.000 0.967 65 R CB -0.341 30.017 30.300 0.097 0.000 0.862 65 R HN 0.368 nan 8.270 nan 0.000 0.436 66 D N 0.493 120.891 120.400 -0.003 0.000 2.123 66 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 66 D C 1.992 178.276 176.300 -0.027 0.000 0.992 66 D CA 1.078 55.070 54.000 -0.014 0.000 0.833 66 D CB -0.230 40.562 40.800 -0.013 0.000 0.954 66 D HN 0.004 nan 8.370 nan 0.000 0.455 67 V N 1.219 121.101 119.914 -0.053 0.000 2.358 67 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 67 V C 2.565 178.594 176.094 -0.109 0.000 1.047 67 V CA 0.886 63.138 62.300 -0.081 0.000 1.035 67 V CB -0.382 31.359 31.823 -0.136 0.000 0.658 67 V HN 0.206 nan 8.190 nan 0.000 0.452 68 L N -0.225 120.889 121.223 -0.183 0.000 1.989 68 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 68 L C 2.705 179.529 176.870 -0.076 0.000 1.071 68 L CA 1.989 56.726 54.840 -0.171 0.000 0.749 68 L CB -0.327 41.624 42.059 -0.181 0.000 0.890 68 L HN 0.292 nan 8.230 nan 0.000 0.431 69 K N -0.181 120.191 120.400 -0.046 0.000 2.044 69 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 69 K C 1.876 178.466 176.600 -0.017 0.000 1.049 69 K CA 2.177 58.450 56.287 -0.023 0.000 0.927 69 K CB -0.183 32.309 32.500 -0.012 0.000 0.713 69 K HN 0.424 nan 8.250 nan 0.000 0.443 70 E N 0.290 120.482 120.200 -0.012 0.000 2.110 70 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 70 E C 2.009 178.612 176.600 0.005 0.000 0.988 70 E CA 1.324 57.726 56.400 0.004 0.000 0.804 70 E CB -0.026 29.685 29.700 0.019 0.000 0.745 70 E HN 0.294 nan 8.360 nan 0.000 0.458 71 M N 0.448 120.047 119.600 -0.001 0.000 2.123 71 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 71 M C 2.082 178.362 176.300 -0.034 0.000 1.069 71 M CA 1.252 56.545 55.300 -0.011 0.000 1.133 71 M CB -0.084 32.509 32.600 -0.012 0.000 1.356 71 M HN -0.078 nan 8.290 nan 0.000 0.415 72 K N 0.673 121.051 120.400 -0.036 0.000 2.074 72 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 72 K C 2.154 178.742 176.600 -0.020 0.000 1.048 72 K CA 1.645 57.913 56.287 -0.032 0.000 0.926 72 K CB -0.572 31.912 32.500 -0.027 0.000 0.713 72 K HN 0.330 nan 8.250 nan 0.000 0.444 73 A N 2.532 125.344 122.820 -0.014 0.000 1.903 73 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 73 A C 2.052 179.630 177.584 -0.010 0.000 1.191 73 A CA 1.847 53.879 52.037 -0.008 0.000 0.638 73 A CB -0.353 18.645 19.000 -0.004 0.000 0.823 73 A HN 0.207 nan 8.150 nan 0.000 0.451 74 K N -0.491 119.900 120.400 -0.016 0.000 2.148 74 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 74 K C 2.250 178.834 176.600 -0.028 0.000 1.050 74 K CA 1.089 57.362 56.287 -0.022 0.000 0.942 74 K CB -0.491 31.990 32.500 -0.032 0.000 0.724 74 K HN 0.473 nan 8.250 nan 0.000 0.446 75 A N 1.555 124.357 122.820 -0.030 0.000 1.972 75 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 75 A C 2.281 179.861 177.584 -0.006 0.000 1.169 75 A CA 1.607 53.631 52.037 -0.021 0.000 0.635 75 A CB -0.512 18.477 19.000 -0.019 0.000 0.810 75 A HN 0.201 nan 8.150 nan 0.000 0.446 76 S N 0.180 115.877 115.700 -0.005 0.000 2.423 76 S HA -0.187 4.283 4.470 -0.000 0.000 0.238 76 S C 1.878 176.478 174.600 -0.000 0.000 1.028 76 S CA 1.936 60.136 58.200 0.001 0.000 1.000 76 S CB -0.695 62.505 63.200 -0.000 0.000 0.797 76 S HN 0.828 nan 8.310 nan 0.000 0.487 77 T N 0.663 115.214 114.554 -0.005 0.000 2.995 77 T HA 0.087 4.437 4.350 -0.000 0.000 0.269 77 T C 0.805 175.502 174.700 -0.005 0.000 1.091 77 T CA 0.246 62.343 62.100 -0.006 0.000 1.128 77 T CB -0.267 68.595 68.868 -0.010 0.000 0.891 77 T HN 0.138 nan 8.240 nan 0.000 0.492 78 V N 2.070 121.980 119.914 -0.006 0.000 2.649 78 V HA 0.338 4.458 4.120 -0.000 0.000 0.292 78 V C 0.098 176.194 176.094 0.003 0.000 1.055 78 V CA -0.766 61.530 62.300 -0.006 0.000 1.023 78 V CB 1.285 33.102 31.823 -0.009 0.000 0.992 78 V HN 0.309 nan 8.190 nan 0.000 0.480 79 K N 3.502 123.903 120.400 0.002 0.000 2.579 79 K HA 0.718 5.038 4.320 -0.000 0.000 0.250 79 K C -0.702 175.902 176.600 0.006 0.000 0.952 79 K CA -0.448 55.843 56.287 0.007 0.000 0.857 79 K CB 1.469 33.973 32.500 0.007 0.000 1.123 79 K HN 0.811 nan 8.250 nan 0.000 0.433 80 A N 4.341 127.167 122.820 0.010 0.000 2.301 80 A HA 0.479 4.799 4.320 -0.000 0.000 0.312 80 A C -0.611 176.984 177.584 0.018 0.000 1.182 80 A CA -0.800 51.242 52.037 0.008 0.000 0.826 80 A CB 0.623 19.624 19.000 0.003 0.000 1.134 80 A HN 0.665 nan 8.150 nan 0.000 0.501 81 K N 0.820 121.232 120.400 0.020 0.000 2.126 81 K HA 0.413 4.733 4.320 -0.000 0.000 0.257 81 K C -0.814 175.805 176.600 0.032 0.000 1.007 81 K CA -0.552 55.749 56.287 0.024 0.000 0.928 81 K CB 1.051 33.565 32.500 0.024 0.000 1.013 81 K HN 0.511 nan 8.250 nan 0.000 0.473 82 L N 2.231 123.468 121.223 0.023 0.000 2.287 82 L HA 0.316 4.656 4.340 -0.000 0.000 0.287 82 L C -1.006 175.844 176.870 -0.033 0.000 1.022 82 L CA -0.647 54.202 54.840 0.014 0.000 0.814 82 L CB 0.869 42.949 42.059 0.035 0.000 1.217 82 L HN 0.416 nan 8.230 nan 0.000 0.420 83 L N 3.620 124.807 121.223 -0.059 0.000 2.436 83 L HA 0.429 4.768 4.340 -0.000 0.000 0.265 83 L C 0.888 177.656 176.870 -0.171 0.000 1.168 83 L CA 0.554 55.339 54.840 -0.093 0.000 0.815 83 L CB 1.220 43.225 42.059 -0.091 0.000 1.109 83 L HN 0.895 nan 8.230 nan 0.000 0.462 84 S N 2.034 117.643 115.700 -0.151 0.000 2.626 84 S HA 0.284 4.754 4.470 -0.000 0.000 0.257 84 S C 1.208 175.678 174.600 -0.217 0.000 1.288 84 S CA -0.422 57.669 58.200 -0.180 0.000 0.980 84 S CB 0.383 63.505 63.200 -0.129 0.000 0.975 84 S HN 0.465 nan 8.310 nan 0.000 0.577 85 I N 0.643 121.081 120.570 -0.220 0.000 2.235 85 I HA -0.078 4.091 4.170 -0.000 0.000 0.241 85 I C 2.594 178.611 176.117 -0.167 0.000 1.085 85 I CA 1.078 62.249 61.300 -0.215 0.000 1.378 85 I CB -0.780 37.094 38.000 -0.210 0.000 1.076 85 I HN 0.624 nan 8.210 nan 0.000 0.415 86 E N 1.416 121.532 120.200 -0.140 0.000 2.086 86 E HA -0.295 4.055 4.350 -0.000 0.000 0.205 86 E C 2.004 178.530 176.600 -0.123 0.000 1.027 86 E CA 1.895 58.225 56.400 -0.116 0.000 0.830 86 E CB -0.310 29.334 29.700 -0.095 0.000 0.751 86 E HN 0.485 nan 8.360 nan 0.000 0.456 87 E N -0.153 119.969 120.200 -0.130 0.000 2.051 87 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 87 E C 2.037 178.522 176.600 -0.192 0.000 0.991 87 E CA 1.057 57.373 56.400 -0.141 0.000 0.799 87 E CB -0.192 29.434 29.700 -0.124 0.000 0.748 87 E HN 0.320 nan 8.360 nan 0.000 0.449 88 A N 0.331 123.030 122.820 -0.202 0.000 2.015 88 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 88 A C 2.264 179.725 177.584 -0.204 0.000 1.163 88 A CA 0.840 52.738 52.037 -0.231 0.000 0.646 88 A CB -0.516 18.359 19.000 -0.207 0.000 0.806 88 A HN 0.347 nan 8.150 nan 0.000 0.448 89 C N -0.699 118.500 119.300 -0.168 0.000 2.467 89 C HA 0.021 4.481 4.460 -0.000 0.000 0.279 89 C C 2.544 177.448 174.990 -0.144 0.000 1.347 89 C CA 1.005 59.938 59.018 -0.141 0.000 1.748 89 C CB -0.915 26.753 27.740 -0.120 0.000 1.977 89 C HN 0.604 nan 8.230 nan 0.000 0.501 90 K N 0.786 121.101 120.400 -0.141 0.000 2.283 90 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 90 K C 1.230 177.760 176.600 -0.117 0.000 1.048 90 K CA 0.851 57.070 56.287 -0.113 0.000 0.948 90 K CB -0.152 32.294 32.500 -0.090 0.000 0.742 90 K HN 0.490 nan 8.250 nan 0.000 0.458 91 L N 1.257 122.354 121.223 -0.210 0.000 2.675 91 L HA 0.001 4.341 4.340 -0.000 0.000 0.239 91 L C -0.025 176.705 176.870 -0.232 0.000 1.151 91 L CA 0.239 54.901 54.840 -0.295 0.000 0.905 91 L CB -0.167 41.581 42.059 -0.519 0.000 1.057 91 L HN -0.017 nan 8.230 nan 0.000 0.435 92 T N 1.629 116.071 114.554 -0.187 0.000 2.758 92 T HA 0.309 4.659 4.350 -0.000 0.000 0.285 92 T C -2.393 172.118 174.700 -0.315 0.000 0.981 92 T CA -1.402 60.578 62.100 -0.199 0.000 0.965 92 T CB 1.493 70.265 68.868 -0.159 0.000 0.927 92 T HN -0.127 nan 8.240 nan 0.000 0.448 93 P HA 0.164 nan 4.420 nan 0.000 0.268 93 P C -2.190 174.796 177.300 -0.523 0.000 1.205 93 P CA -1.442 61.363 63.100 -0.492 0.000 0.771 93 P CB 0.336 31.922 31.700 -0.191 0.000 0.858 94 P HA -0.112 nan 4.420 nan 0.000 0.222 94 P C 0.515 177.546 177.300 -0.448 0.000 1.147 94 P CA 1.632 64.376 63.100 -0.594 0.000 0.790 94 P CB -0.146 31.122 31.700 -0.720 0.000 0.780 95 H N -1.724 117.244 119.070 -0.170 0.000 2.490 95 H HA 0.303 4.859 4.556 -0.000 0.000 0.285 95 H C 0.367 175.630 175.328 -0.107 0.000 1.127 95 H CA -0.493 55.490 56.048 -0.110 0.000 0.993 95 H CB -0.257 29.457 29.762 -0.080 0.000 1.653 95 H HN 0.021 nan 8.280 nan 0.000 0.557 96 S N 0.849 116.520 115.700 -0.049 0.000 2.585 96 S HA 0.418 4.888 4.470 -0.000 0.000 0.273 96 S C 0.635 175.210 174.600 -0.041 0.000 1.339 96 S CA -0.541 57.619 58.200 -0.067 0.000 1.028 96 S CB 0.498 63.645 63.200 -0.087 0.000 0.906 96 S HN 0.544 nan 8.310 nan 0.000 0.528 97 A N 4.206 126.986 122.820 -0.066 0.000 2.524 97 A HA 0.285 4.605 4.320 -0.000 0.000 0.250 97 A C 0.519 178.109 177.584 0.011 0.000 1.078 97 A CA -0.336 51.688 52.037 -0.020 0.000 0.761 97 A CB -0.277 18.709 19.000 -0.024 0.000 1.012 97 A HN 0.865 nan 8.150 nan 0.000 0.500 98 K N 2.143 122.540 120.400 -0.005 0.000 2.397 98 K HA 0.263 4.583 4.320 -0.000 0.000 0.265 98 K C 0.309 176.851 176.600 -0.097 0.000 0.982 98 K CA 0.244 56.489 56.287 -0.069 0.000 0.931 98 K CB 0.374 32.836 32.500 -0.064 0.000 0.943 98 K HN 0.488 nan 8.250 nan 0.000 0.501 99 S N 0.533 116.056 115.700 -0.294 0.000 2.610 99 S HA 0.130 4.600 4.470 -0.000 0.000 0.273 99 S C 0.588 175.080 174.600 -0.181 0.000 1.274 99 S CA -0.678 57.360 58.200 -0.270 0.000 1.023 99 S CB 1.114 63.891 63.200 -0.704 0.000 0.962 99 S HN 0.718 nan 8.310 nan 0.000 0.523 100 K N 1.607 121.971 120.400 -0.059 0.000 2.442 100 K HA 0.064 4.384 4.320 -0.000 0.000 0.198 100 K C -0.184 176.221 176.600 -0.326 0.000 1.042 100 K CA 0.961 57.128 56.287 -0.201 0.000 0.958 100 K CB -0.164 32.162 32.500 -0.291 0.000 0.766 100 K HN 0.616 nan 8.250 nan 0.000 0.474 101 F N 0.494 120.311 119.950 -0.221 0.000 2.898 101 F HA 0.246 4.773 4.527 -0.000 0.000 0.290 101 F C 1.002 176.802 175.800 -0.001 0.000 1.195 101 F CA -0.451 57.459 58.000 -0.150 0.000 1.387 101 F CB 0.429 39.233 39.000 -0.326 0.000 0.976 101 F HN 0.023 nan 8.300 nan 0.000 0.510 102 G N 0.996 109.823 108.800 0.045 0.000 2.225 102 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.264 102 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.264 102 G C -0.467 174.541 174.900 0.180 0.000 1.060 102 G CA 0.384 45.531 45.100 0.078 0.000 0.833 102 G HN 0.667 nan 8.290 nan 0.000 0.498 103 Y N -3.051 117.278 120.300 0.048 0.000 2.641 103 Y HA 0.706 5.256 4.550 -0.000 0.000 0.333 103 Y C 0.189 176.119 175.900 0.050 0.000 1.174 103 Y CA -0.879 57.247 58.100 0.043 0.000 1.057 103 Y CB 0.545 39.033 38.460 0.048 0.000 1.322 103 Y HN 0.854 nan 8.280 nan 0.000 0.457 104 G N 0.135 109.000 108.800 0.108 0.000 3.022 104 G HA2 0.570 4.530 3.960 -0.000 0.000 0.284 104 G HA3 0.570 4.530 3.960 -0.000 0.000 0.284 104 G C 0.120 175.082 174.900 0.104 0.000 1.375 104 G CA -0.699 44.407 45.100 0.012 0.000 0.902 104 G HN 1.267 nan 8.290 nan 0.000 0.538 105 A N -0.297 122.542 122.820 0.033 0.000 1.908 105 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 105 A C 2.172 179.744 177.584 -0.020 0.000 1.181 105 A CA 2.295 54.331 52.037 -0.001 0.000 0.627 105 A CB -0.608 18.355 19.000 -0.062 0.000 0.818 105 A HN 0.587 nan 8.150 nan 0.000 0.445 106 K N -0.464 119.925 120.400 -0.019 0.000 2.059 106 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 106 K C 1.508 178.103 176.600 -0.010 0.000 1.050 106 K CA 2.010 58.278 56.287 -0.032 0.000 0.927 106 K CB -0.309 32.185 32.500 -0.011 0.000 0.714 106 K HN 0.539 nan 8.250 nan 0.000 0.447 107 D N -0.012 120.415 120.400 0.045 0.000 2.144 107 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 107 D C 2.005 178.316 176.300 0.018 0.000 0.978 107 D CA 0.905 54.936 54.000 0.052 0.000 0.833 107 D CB -0.101 40.781 40.800 0.135 0.000 0.961 107 D HN 0.048 nan 8.370 nan 0.000 0.470 108 V N 1.817 121.764 119.914 0.055 0.000 2.287 108 V HA -0.252 3.867 4.120 -0.000 0.000 0.248 108 V C 2.525 178.586 176.094 -0.055 0.000 1.053 108 V CA 1.618 63.917 62.300 -0.002 0.000 1.027 108 V CB -0.393 31.455 31.823 0.042 0.000 0.646 108 V HN 0.158 nan 8.190 nan 0.000 0.447 109 R N 0.459 120.919 120.500 -0.067 0.000 2.096 109 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 109 R C 1.817 178.071 176.300 -0.077 0.000 1.127 109 R CA 1.871 57.914 56.100 -0.096 0.000 0.968 109 R CB -0.530 29.690 30.300 -0.133 0.000 0.861 109 R HN 0.645 nan 8.270 nan 0.000 0.440 110 N N 0.600 119.264 118.700 -0.061 0.000 2.412 110 N HA 0.088 4.828 4.740 -0.000 0.000 0.184 110 N C -0.341 175.136 175.510 -0.055 0.000 1.101 110 N CA 0.054 53.073 53.050 -0.051 0.000 0.881 110 N CB 0.216 38.681 38.487 -0.038 0.000 0.969 110 N HN 0.003 nan 8.380 nan 0.000 0.459 111 L N 0.250 121.434 121.223 -0.066 0.000 3.487 111 L HA -0.193 4.147 4.340 -0.000 0.000 0.450 111 L C -0.695 176.129 176.870 -0.077 0.000 1.290 111 L CA -0.333 54.459 54.840 -0.079 0.000 0.874 111 L CB -2.611 39.403 42.059 -0.075 0.000 1.804 111 L HN 0.010 nan 8.230 nan 0.000 0.831 112 S N 0.117 115.770 115.700 -0.078 0.000 2.546 112 S HA 0.151 4.621 4.470 -0.000 0.000 0.290 112 S C 1.575 176.113 174.600 -0.104 0.000 1.290 112 S CA 0.181 58.336 58.200 -0.074 0.000 1.069 112 S CB 1.433 64.597 63.200 -0.060 0.000 0.846 112 S HN 0.674 nan 8.310 nan 0.000 0.495 113 S N 4.405 120.059 115.700 -0.076 0.000 2.380 113 S HA -0.289 4.181 4.470 -0.000 0.000 0.229 113 S C 1.793 176.332 174.600 -0.103 0.000 1.043 113 S CA 1.373 59.527 58.200 -0.077 0.000 1.038 113 S CB -0.375 62.796 63.200 -0.048 0.000 0.872 113 S HN 0.735 nan 8.310 nan 0.000 0.456 114 R N 1.858 122.298 120.500 -0.100 0.000 2.073 114 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 114 R C 2.537 178.646 176.300 -0.318 0.000 1.134 114 R CA 1.467 57.496 56.100 -0.118 0.000 0.952 114 R CB -0.929 29.350 30.300 -0.034 0.000 0.850 114 R HN 0.495 nan 8.270 nan 0.000 0.433 115 A N 0.424 122.937 122.820 -0.512 0.000 1.877 115 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 115 A C 2.319 179.597 177.584 -0.509 0.000 1.186 115 A CA 1.826 53.264 52.037 -0.998 0.000 0.620 115 A CB -1.057 17.531 19.000 -0.687 0.000 0.822 115 A HN 0.380 nan 8.150 nan 0.000 0.443 116 V N -0.196 119.549 119.914 -0.281 0.000 2.427 116 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 116 V C 1.896 177.901 176.094 -0.148 0.000 1.051 116 V CA 2.654 64.841 62.300 -0.189 0.000 1.048 116 V CB -1.101 30.638 31.823 -0.141 0.000 0.666 116 V HN 0.486 nan 8.190 nan 0.000 0.456 117 N N 0.367 118.992 118.700 -0.123 0.000 2.061 117 N HA -0.245 4.495 4.740 -0.000 0.000 0.193 117 N C 1.908 177.388 175.510 -0.050 0.000 1.030 117 N CA 2.318 55.326 53.050 -0.070 0.000 0.856 117 N CB -0.921 37.539 38.487 -0.045 0.000 1.023 117 N HN 0.831 nan 8.380 nan 0.000 0.424 118 H N -0.128 118.815 119.070 -0.211 0.000 2.387 118 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 118 H C 1.990 177.219 175.328 -0.165 0.000 1.099 118 H CA 1.117 57.029 56.048 -0.226 0.000 1.315 118 H CB 0.040 29.656 29.762 -0.245 0.000 1.380 118 H HN 0.165 nan 8.280 nan 0.000 0.513 119 I N 0.297 120.726 120.570 -0.235 0.000 2.406 119 I HA -0.201 3.969 4.170 -0.000 0.000 0.249 119 I C 2.672 178.721 176.117 -0.112 0.000 1.122 119 I CA 0.725 61.896 61.300 -0.215 0.000 1.431 119 I CB -0.070 37.831 38.000 -0.164 0.000 1.087 119 I HN 0.185 nan 8.210 nan 0.000 0.424 120 R N 0.236 120.686 120.500 -0.084 0.000 2.081 120 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 120 R C 2.535 178.860 176.300 0.042 0.000 1.131 120 R CA 1.776 57.875 56.100 -0.001 0.000 0.960 120 R CB -0.689 29.600 30.300 -0.019 0.000 0.856 120 R HN 0.425 nan 8.270 nan 0.000 0.436 121 S N 0.763 116.446 115.700 -0.027 0.000 2.368 121 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 121 S C 2.162 176.730 174.600 -0.053 0.000 1.030 121 S CA 1.435 59.619 58.200 -0.027 0.000 0.999 121 S CB -0.403 62.785 63.200 -0.021 0.000 0.844 121 S HN 0.103 nan 8.310 nan 0.000 0.459 122 V N 0.639 120.470 119.914 -0.139 0.000 2.490 122 V HA -0.109 4.010 4.120 -0.000 0.000 0.250 122 V C 2.180 178.265 176.094 -0.014 0.000 1.061 122 V CA 1.808 64.019 62.300 -0.147 0.000 1.064 122 V CB -0.979 30.673 31.823 -0.285 0.000 0.670 122 V HN 0.729 nan 8.190 nan 0.000 0.461 123 W N 1.022 122.239 121.300 -0.138 0.000 2.444 123 W HA -0.076 4.584 4.660 -0.000 0.000 0.308 123 W C 2.263 178.738 176.519 -0.074 0.000 1.183 123 W CA 1.353 58.640 57.345 -0.097 0.000 1.340 123 W CB -0.056 29.349 29.460 -0.091 0.000 1.138 123 W HN 0.303 nan 8.180 nan 0.000 0.510 124 E N 0.433 120.650 120.200 0.029 0.000 2.130 124 E HA -0.316 4.034 4.350 -0.000 0.000 0.196 124 E C 1.568 178.093 176.600 -0.125 0.000 0.998 124 E CA 2.099 58.459 56.400 -0.066 0.000 0.806 124 E CB -0.423 29.284 29.700 0.011 0.000 0.738 124 E HN 0.280 nan 8.360 nan 0.000 0.459 125 D N -0.090 120.252 120.400 -0.098 0.000 2.178 125 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 125 D C 1.717 177.931 176.300 -0.144 0.000 0.974 125 D CA 0.514 54.457 54.000 -0.095 0.000 0.841 125 D CB 0.130 40.894 40.800 -0.060 0.000 0.953 125 D HN -0.002 nan 8.370 nan 0.000 0.478 126 L N 0.354 121.446 121.223 -0.218 0.000 2.201 126 L HA -0.021 4.319 4.340 -0.000 0.000 0.212 126 L C 2.073 178.756 176.870 -0.311 0.000 1.105 126 L CA 1.183 55.852 54.840 -0.284 0.000 0.775 126 L CB -0.750 41.067 42.059 -0.402 0.000 0.913 126 L HN 0.320 nan 8.230 nan 0.000 0.440 127 L N -1.515 119.505 121.223 -0.339 0.000 2.209 127 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 127 L C 2.071 178.846 176.870 -0.158 0.000 1.094 127 L CA 0.577 55.258 54.840 -0.264 0.000 0.790 127 L CB -0.330 41.567 42.059 -0.270 0.000 0.932 127 L HN 0.216 nan 8.230 nan 0.000 0.447 128 E N -0.612 119.509 120.200 -0.132 0.000 2.400 128 E HA 0.019 4.369 4.350 -0.000 0.000 0.195 128 E C -0.028 176.529 176.600 -0.072 0.000 1.012 128 E CA 0.327 56.676 56.400 -0.085 0.000 0.875 128 E CB 0.442 30.103 29.700 -0.064 0.000 0.859 128 E HN 0.244 nan 8.360 nan 0.000 0.498 129 D N 0.112 120.461 120.400 -0.085 0.000 2.757 129 D HA 0.094 4.734 4.640 -0.000 0.000 0.249 129 D C 0.281 176.535 176.300 -0.077 0.000 1.168 129 D CA -0.209 53.751 54.000 -0.066 0.000 0.870 129 D CB 1.582 42.350 40.800 -0.053 0.000 1.411 129 D HN -0.095 nan 8.370 nan 0.000 0.525 130 T N 0.042 114.559 114.554 -0.062 0.000 3.040 130 T HA 0.171 4.521 4.350 -0.000 0.000 0.266 130 T C 0.819 175.490 174.700 -0.048 0.000 1.005 130 T CA 0.029 62.092 62.100 -0.062 0.000 0.906 130 T CB 0.177 69.012 68.868 -0.054 0.000 1.082 130 T HN 0.556 nan 8.240 nan 0.000 0.531 131 E N 0.271 120.448 120.200 -0.038 0.000 2.550 131 E HA 0.143 4.493 4.350 -0.000 0.000 0.206 131 E C -0.159 176.430 176.600 -0.017 0.000 0.845 131 E CA -0.256 56.129 56.400 -0.026 0.000 1.461 131 E CB -0.361 29.327 29.700 -0.019 0.000 1.452 131 E HN 0.136 nan 8.360 nan 0.000 0.780 132 T N 5.051 119.595 114.554 -0.017 0.000 2.778 132 T HA 0.070 4.419 4.350 -0.000 0.000 0.282 132 T C -2.437 172.260 174.700 -0.005 0.000 0.983 132 T CA -0.541 61.556 62.100 -0.005 0.000 1.193 132 T CB 0.272 69.137 68.868 -0.005 0.000 0.938 132 T HN 0.022 nan 8.240 nan 0.000 0.523 133 P HA 0.117 nan 4.420 nan 0.000 0.262 133 P C -0.058 177.236 177.300 -0.009 0.000 1.182 133 P CA 0.035 63.140 63.100 0.009 0.000 0.761 133 P CB 0.276 32.013 31.700 0.061 0.000 0.795 134 I N 2.500 123.049 120.570 -0.034 0.000 2.472 134 I HA 0.133 4.303 4.170 -0.000 0.000 0.290 134 I C 1.059 177.156 176.117 -0.033 0.000 1.016 134 I CA -0.213 61.072 61.300 -0.026 0.000 1.348 134 I CB 0.694 38.670 38.000 -0.041 0.000 1.417 134 I HN 0.322 nan 8.210 nan 0.000 0.521 135 D N 3.271 123.664 120.400 -0.011 0.000 2.357 135 D HA 0.342 4.982 4.640 -0.000 0.000 0.242 135 D C -0.581 175.689 176.300 -0.051 0.000 1.153 135 D CA 0.252 54.234 54.000 -0.030 0.000 0.918 135 D CB 0.856 41.652 40.800 -0.006 0.000 1.181 135 D HN 0.635 nan 8.370 nan 0.000 0.435 136 T N -1.539 112.961 114.554 -0.090 0.000 2.956 136 T HA 0.513 4.863 4.350 -0.000 0.000 0.312 136 T C -0.516 174.061 174.700 -0.206 0.000 1.151 136 T CA -1.032 60.985 62.100 -0.138 0.000 1.024 136 T CB 1.359 70.173 68.868 -0.091 0.000 1.140 136 T HN 0.225 nan 8.240 nan 0.000 0.473 137 T N 2.686 116.988 114.554 -0.420 0.000 2.909 137 T HA 0.627 4.977 4.350 -0.000 0.000 0.289 137 T C -0.126 174.342 174.700 -0.387 0.000 1.005 137 T CA -0.732 61.081 62.100 -0.479 0.000 1.084 137 T CB 0.771 69.157 68.868 -0.802 0.000 0.975 137 T HN 0.807 nan 8.240 nan 0.000 0.509 138 I N 2.411 122.895 120.570 -0.144 0.000 2.499 138 I HA 0.538 4.708 4.170 -0.000 0.000 0.288 138 I C -1.445 174.715 176.117 0.071 0.000 1.048 138 I CA -0.987 60.323 61.300 0.016 0.000 1.062 138 I CB 1.236 39.289 38.000 0.089 0.000 1.238 138 I HN 0.414 nan 8.210 nan 0.000 0.426 139 M N 6.267 125.959 119.600 0.153 0.000 2.457 139 M HA 0.486 4.966 4.480 -0.000 0.000 0.300 139 M C -0.450 175.927 176.300 0.129 0.000 1.141 139 M CA -0.564 54.834 55.300 0.162 0.000 0.901 139 M CB 1.896 34.661 32.600 0.275 0.000 1.687 139 M HN 0.671 nan 8.290 nan 0.000 0.449 140 A N 3.111 125.983 122.820 0.087 0.000 2.454 140 A HA 0.304 4.624 4.320 -0.000 0.000 0.260 140 A C 0.104 177.735 177.584 0.079 0.000 1.106 140 A CA -0.146 51.934 52.037 0.071 0.000 0.780 140 A CB 0.077 19.105 19.000 0.048 0.000 1.044 140 A HN 0.761 nan 8.150 nan 0.000 0.498 141 K N 2.166 122.614 120.400 0.079 0.000 2.205 141 K HA 0.317 4.637 4.320 -0.000 0.000 0.279 141 K C -0.228 176.398 176.600 0.044 0.000 1.027 141 K CA -0.083 56.242 56.287 0.062 0.000 0.932 141 K CB 0.657 33.198 32.500 0.069 0.000 1.032 141 K HN 0.572 nan 8.250 nan 0.000 0.466 142 S N 3.560 119.266 115.700 0.010 0.000 2.422 142 S HA 0.204 4.674 4.470 -0.000 0.000 0.298 142 S C -1.246 173.281 174.600 -0.122 0.000 1.118 142 S CA -0.622 57.560 58.200 -0.030 0.000 1.083 142 S CB 0.392 63.577 63.200 -0.025 0.000 0.971 142 S HN 0.585 nan 8.310 nan 0.000 0.478 143 E N 2.528 122.634 120.200 -0.157 0.000 2.248 143 E HA 0.412 4.762 4.350 -0.000 0.000 0.267 143 E C -1.265 174.969 176.600 -0.611 0.000 0.877 143 E CA -0.807 55.378 56.400 -0.358 0.000 0.759 143 E CB 2.304 31.862 29.700 -0.237 0.000 1.182 143 E HN 0.376 nan 8.360 nan 0.000 0.418 144 V N 3.522 122.920 119.914 -0.860 0.000 2.644 144 V HA 0.570 4.690 4.120 -0.000 0.000 0.295 144 V C -1.116 174.331 176.094 -1.078 0.000 1.053 144 V CA 0.080 61.835 62.300 -0.908 0.000 0.987 144 V CB 0.515 31.795 31.823 -0.905 0.000 1.006 144 V HN 0.568 nan 8.190 nan 0.000 0.472 145 F N 3.018 122.600 119.950 -0.613 0.000 2.711 145 F HA 0.506 5.033 4.527 -0.000 0.000 0.313 145 F C -0.264 175.336 175.800 -0.332 0.000 1.141 145 F CA -0.627 57.077 58.000 -0.494 0.000 0.941 145 F CB 1.432 40.049 39.000 -0.638 0.000 1.349 145 F HN 0.546 nan 8.300 nan 0.000 0.464 146 C N 2.719 122.118 119.300 0.165 0.000 2.358 146 C HA 0.796 5.256 4.460 -0.000 0.000 0.342 146 C C -0.138 175.048 174.990 0.325 0.000 1.234 146 C CA -0.660 58.481 59.018 0.204 0.000 1.969 146 C CB 0.218 28.035 27.740 0.128 0.000 2.346 146 C HN 0.646 nan 8.230 nan 0.000 0.525 147 V N 6.123 126.244 119.914 0.344 0.000 2.843 147 V HA 0.337 4.457 4.120 -0.000 0.000 0.305 147 V C 0.091 176.255 176.094 0.117 0.000 1.065 147 V CA 0.013 62.457 62.300 0.240 0.000 1.116 147 V CB 0.586 32.477 31.823 0.114 0.000 0.968 147 V HN 0.976 nan 8.190 nan 0.000 0.487 148 Q N 2.726 122.562 119.800 0.059 0.000 2.240 148 Q HA 0.630 4.970 4.340 -0.000 0.000 0.260 148 Q C -2.078 173.923 176.000 0.000 0.000 1.018 148 Q CA -1.631 54.186 55.803 0.023 0.000 0.898 148 Q CB -0.181 28.560 28.738 0.005 0.000 1.301 148 Q HN 0.729 nan 8.270 nan 0.000 0.469 155 K N 3.395 123.784 120.400 -0.019 0.000 2.202 155 K HA 0.305 4.625 4.320 -0.000 0.000 0.264 155 K C -2.039 174.570 176.600 0.016 0.000 1.010 155 K CA -1.354 54.900 56.287 -0.056 0.000 0.940 155 K CB 0.492 32.850 32.500 -0.236 0.000 0.983 155 K HN 0.269 nan 8.250 nan 0.000 0.475 156 P HA 0.122 nan 4.420 nan 0.000 0.281 156 P C -1.022 176.310 177.300 0.054 0.000 1.249 156 P CA -0.533 62.580 63.100 0.021 0.000 0.810 156 P CB 1.062 32.758 31.700 -0.006 0.000 1.008 157 A N 3.493 126.355 122.820 0.071 0.000 2.507 157 A HA 0.091 4.411 4.320 -0.000 0.000 0.235 157 A C 0.694 178.322 177.584 0.072 0.000 1.070 157 A CA 0.101 52.191 52.037 0.089 0.000 0.768 157 A CB -0.262 18.782 19.000 0.073 0.000 1.011 157 A HN 0.509 nan 8.150 nan 0.000 0.502 158 R N -0.149 120.410 120.500 0.098 0.000 2.546 158 R HA 0.579 4.919 4.340 -0.000 0.000 0.266 158 R C -0.965 175.387 176.300 0.088 0.000 1.086 158 R CA -0.512 55.645 56.100 0.095 0.000 1.160 158 R CB 0.554 30.927 30.300 0.121 0.000 1.138 158 R HN 0.636 nan 8.270 nan 0.000 0.567 159 L N 2.360 123.640 121.223 0.095 0.000 2.342 159 L HA 0.363 4.703 4.340 -0.000 0.000 0.276 159 L C -0.785 176.172 176.870 0.145 0.000 0.997 159 L CA -0.845 54.056 54.840 0.101 0.000 0.838 159 L CB 1.594 43.692 42.059 0.065 0.000 1.224 159 L HN 0.409 nan 8.230 nan 0.000 0.416 160 I N 4.470 125.143 120.570 0.172 0.000 2.342 160 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 160 I C -0.413 175.894 176.117 0.316 0.000 1.010 160 I CA -0.027 61.410 61.300 0.228 0.000 1.308 160 I CB 1.385 39.503 38.000 0.196 0.000 1.400 160 I HN 0.169 nan 8.210 nan 0.000 0.488 161 V N 9.397 129.492 119.914 0.301 0.000 2.448 161 V HA 0.597 4.717 4.120 -0.000 0.000 0.295 161 V C -0.640 175.649 176.094 0.325 0.000 1.025 161 V CA -0.463 61.986 62.300 0.248 0.000 0.859 161 V CB 1.143 33.078 31.823 0.187 0.000 0.988 161 V HN 0.605 nan 8.190 nan 0.000 0.431 162 F N 5.238 125.239 119.950 0.085 0.000 2.641 162 F HA 0.899 5.426 4.527 -0.000 0.000 0.308 162 F C -3.156 172.689 175.800 0.075 0.000 1.105 162 F CA -2.402 55.647 58.000 0.083 0.000 0.964 162 F CB 1.591 40.636 39.000 0.075 0.000 1.294 162 F HN 0.317 nan 8.300 nan 0.000 0.442 163 P HA 0.226 nan 4.420 nan 0.000 0.284 163 P C -1.122 176.301 177.300 0.205 0.000 1.292 163 P CA -0.131 63.037 63.100 0.114 0.000 0.800 163 P CB 1.171 32.946 31.700 0.124 0.000 1.188 164 D N -1.068 119.434 120.400 0.169 0.000 2.382 164 D HA -0.005 4.635 4.640 -0.000 0.000 0.240 164 D C 1.409 177.840 176.300 0.218 0.000 1.146 164 D CA -0.337 53.796 54.000 0.221 0.000 0.897 164 D CB 0.297 41.268 40.800 0.285 0.000 1.197 164 D HN 0.075 nan 8.370 nan 0.000 0.432 165 L N 3.673 125.018 121.223 0.204 0.000 2.010 165 L HA -0.131 4.209 4.340 -0.000 0.000 0.219 165 L C 2.134 179.117 176.870 0.189 0.000 1.077 165 L CA 2.719 57.661 54.840 0.170 0.000 0.773 165 L CB -1.250 40.880 42.059 0.118 0.000 0.892 165 L HN 0.706 nan 8.230 nan 0.000 0.436 166 G N -1.500 107.459 108.800 0.266 0.000 2.469 166 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.220 166 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.220 166 G C 1.550 176.433 174.900 -0.027 0.000 1.136 166 G CA 1.232 46.367 45.100 0.058 0.000 0.759 166 G HN 0.400 nan 8.290 nan 0.000 0.562 167 V N 0.651 120.585 119.914 0.034 0.000 2.427 167 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 167 V C 2.900 179.042 176.094 0.080 0.000 1.051 167 V CA 1.856 64.184 62.300 0.047 0.000 1.048 167 V CB -0.431 31.432 31.823 0.067 0.000 0.666 167 V HN 0.347 nan 8.190 nan 0.000 0.456 168 R N -0.233 120.325 120.500 0.098 0.000 2.120 168 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 168 R C 2.195 178.524 176.300 0.049 0.000 1.123 168 R CA 1.251 57.405 56.100 0.090 0.000 0.975 168 R CB -0.585 29.766 30.300 0.085 0.000 0.866 168 R HN 0.411 nan 8.270 nan 0.000 0.446 169 V N 0.239 120.169 119.914 0.027 0.000 2.594 169 V HA -0.262 3.858 4.120 -0.000 0.000 0.253 169 V C 2.253 178.334 176.094 -0.022 0.000 1.069 169 V CA 1.413 63.699 62.300 -0.024 0.000 1.082 169 V CB -0.303 31.495 31.823 -0.041 0.000 0.680 169 V HN 0.451 nan 8.190 nan 0.000 0.469 170 C N -0.551 118.780 119.300 0.051 0.000 2.507 170 C HA -0.004 4.455 4.460 -0.000 0.000 0.280 170 C C 2.566 177.685 174.990 0.215 0.000 1.345 170 C CA 0.117 59.236 59.018 0.167 0.000 1.736 170 C CB -0.627 27.296 27.740 0.305 0.000 2.060 170 C HN 0.612 nan 8.230 nan 0.000 0.498 171 E N 1.395 121.689 120.200 0.157 0.000 2.070 171 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 171 E C 2.023 178.706 176.600 0.138 0.000 1.004 171 E CA 1.390 57.892 56.400 0.169 0.000 0.805 171 E CB -0.184 29.623 29.700 0.178 0.000 0.744 171 E HN 0.641 nan 8.360 nan 0.000 0.451 172 K N 0.242 120.690 120.400 0.079 0.000 2.057 172 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 172 K C 2.226 178.846 176.600 0.033 0.000 1.050 172 K CA 1.276 57.593 56.287 0.051 0.000 0.935 172 K CB -0.126 32.331 32.500 -0.071 0.000 0.715 172 K HN 0.105 nan 8.250 nan 0.000 0.439 173 M N 0.533 120.106 119.600 -0.045 0.000 2.065 173 M HA -0.211 4.269 4.480 -0.000 0.000 0.259 173 M C 2.497 178.802 176.300 0.009 0.000 1.069 173 M CA 1.949 57.165 55.300 -0.140 0.000 1.110 173 M CB -0.427 31.882 32.600 -0.486 0.000 1.328 173 M HN 0.243 nan 8.290 nan 0.000 0.405 174 A N -0.212 122.707 122.820 0.165 0.000 1.873 174 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 174 A C 1.934 179.577 177.584 0.098 0.000 1.186 174 A CA 1.509 53.674 52.037 0.214 0.000 0.616 174 A CB -0.561 18.609 19.000 0.283 0.000 0.823 174 A HN 0.505 nan 8.150 nan 0.000 0.442 175 L N -2.920 118.355 121.223 0.086 0.000 2.817 175 L HA 0.163 4.502 4.340 -0.000 0.000 0.248 175 L C 2.022 178.917 176.870 0.043 0.000 1.133 175 L CA 0.027 54.870 54.840 0.004 0.000 0.935 175 L CB -0.083 41.960 42.059 -0.027 0.000 1.266 175 L HN 0.475 nan 8.230 nan 0.000 0.535 176 Y N 1.722 122.020 120.300 -0.004 0.000 2.053 176 Y HA -0.368 4.182 4.550 -0.000 0.000 0.277 176 Y C 2.311 178.235 175.900 0.040 0.000 1.159 176 Y CA 2.330 60.442 58.100 0.019 0.000 1.125 176 Y CB -0.079 38.365 38.460 -0.026 0.000 0.969 176 Y HN 0.232 nan 8.280 nan 0.000 0.492 177 D N -0.663 119.739 120.400 0.004 0.000 2.144 177 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 177 D C 2.181 178.417 176.300 -0.107 0.000 0.984 177 D CA 1.401 55.355 54.000 -0.076 0.000 0.834 177 D CB -0.228 40.587 40.800 0.025 0.000 0.955 177 D HN 0.283 nan 8.370 nan 0.000 0.465 178 V N -0.174 119.686 119.914 -0.091 0.000 2.307 178 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 178 V C 2.674 178.688 176.094 -0.133 0.000 1.045 178 V CA 1.228 63.462 62.300 -0.110 0.000 1.024 178 V CB -0.357 31.366 31.823 -0.167 0.000 0.651 178 V HN 0.118 nan 8.190 nan 0.000 0.449 179 V N 0.062 119.884 119.914 -0.154 0.000 2.490 179 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 179 V C 2.448 178.423 176.094 -0.198 0.000 1.061 179 V CA 2.217 64.431 62.300 -0.143 0.000 1.064 179 V CB -0.485 31.293 31.823 -0.076 0.000 0.670 179 V HN 0.582 nan 8.190 nan 0.000 0.461 180 S N -0.759 114.811 115.700 -0.216 0.000 2.453 180 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 180 S C 1.880 176.393 174.600 -0.145 0.000 1.005 180 S CA 1.560 59.646 58.200 -0.190 0.000 0.949 180 S CB -0.027 63.013 63.200 -0.267 0.000 0.774 180 S HN 0.686 nan 8.310 nan 0.000 0.510 181 T N 1.065 115.532 114.554 -0.145 0.000 2.999 181 T HA 0.314 4.664 4.350 -0.000 0.000 0.247 181 T C 1.570 176.186 174.700 -0.139 0.000 1.012 181 T CA -0.150 61.882 62.100 -0.114 0.000 1.048 181 T CB 0.002 68.823 68.868 -0.077 0.000 1.020 181 T HN 0.185 nan 8.240 nan 0.000 0.478 182 L N 1.776 122.911 121.223 -0.147 0.000 2.068 182 L HA 0.140 4.480 4.340 -0.000 0.000 0.204 182 L C -1.108 175.612 176.870 -0.251 0.000 1.076 182 L CA 0.863 55.622 54.840 -0.136 0.000 0.753 182 L CB -0.693 41.345 42.059 -0.035 0.000 0.910 182 L HN 0.033 nan 8.230 nan 0.000 0.439 183 P HA -0.272 nan 4.420 nan 0.000 0.218 183 P C 1.234 178.123 177.300 -0.685 0.000 1.154 183 P CA 1.603 64.268 63.100 -0.725 0.000 0.872 183 P CB 0.009 30.849 31.700 -1.432 0.000 0.790 184 Q N -0.180 119.300 119.800 -0.533 0.000 2.050 184 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 184 Q C 2.105 177.998 176.000 -0.180 0.000 0.980 184 Q CA 2.144 57.799 55.803 -0.246 0.000 0.840 184 Q CB -1.301 27.364 28.738 -0.121 0.000 0.898 184 Q HN 0.120 nan 8.270 nan 0.000 0.424 185 A N -0.602 122.118 122.820 -0.167 0.000 1.902 185 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 185 A C 2.235 179.747 177.584 -0.119 0.000 1.181 185 A CA 1.784 53.754 52.037 -0.112 0.000 0.623 185 A CB -0.744 18.202 19.000 -0.090 0.000 0.818 185 A HN 0.288 nan 8.150 nan 0.000 0.443 186 V N -0.792 119.019 119.914 -0.172 0.000 2.273 186 V HA -0.162 3.958 4.120 -0.000 0.000 0.242 186 V C 2.463 178.420 176.094 -0.229 0.000 1.035 186 V CA 2.113 64.307 62.300 -0.177 0.000 1.013 186 V CB -0.557 31.143 31.823 -0.206 0.000 0.652 186 V HN 0.553 nan 8.190 nan 0.000 0.452 187 M N -0.828 118.564 119.600 -0.347 0.000 2.509 187 M HA 0.332 4.812 4.480 -0.000 0.000 0.250 187 M C 1.482 177.672 176.300 -0.184 0.000 1.132 187 M CA 0.874 55.889 55.300 -0.476 0.000 1.080 187 M CB 0.125 32.290 32.600 -0.726 0.000 1.408 187 M HN 0.520 nan 8.290 nan 0.000 0.484 188 G N 1.239 109.972 108.800 -0.110 0.000 2.591 188 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.298 188 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.298 188 G C 0.797 175.697 174.900 -0.000 0.000 1.195 188 G CA 0.667 45.751 45.100 -0.026 0.000 0.989 188 G HN 0.533 nan 8.290 nan 0.000 0.551 189 S N -0.568 115.170 115.700 0.063 0.000 2.603 189 S HA 0.349 4.819 4.470 -0.000 0.000 0.220 189 S C 1.863 176.441 174.600 -0.037 0.000 0.967 189 S CA 1.437 59.680 58.200 0.073 0.000 0.920 189 S CB 0.463 63.824 63.200 0.268 0.000 0.773 189 S HN 0.861 nan 8.310 nan 0.000 0.529 190 S N 0.584 116.310 115.700 0.044 0.000 2.593 190 S HA 0.230 4.699 4.470 -0.000 0.000 0.217 190 S C -0.152 174.467 174.600 0.031 0.000 0.966 190 S CA -0.421 57.823 58.200 0.074 0.000 0.914 190 S CB -0.282 63.072 63.200 0.257 0.000 0.776 190 S HN 0.703 nan 8.310 nan 0.000 0.523 191 Y N 2.046 122.243 120.300 -0.172 0.000 2.383 191 Y HA 0.545 5.095 4.550 -0.000 0.000 0.344 191 Y C 1.128 176.882 175.900 -0.243 0.000 0.986 191 Y CA -1.360 56.623 58.100 -0.196 0.000 1.175 191 Y CB 0.480 38.823 38.460 -0.195 0.000 1.152 191 Y HN 0.038 nan 8.280 nan 0.000 0.511 192 G N 4.250 112.662 108.800 -0.646 0.000 2.551 192 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 192 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 192 G C 0.871 175.318 174.900 -0.756 0.000 1.137 192 G CA 0.064 44.816 45.100 -0.580 0.000 0.798 192 G HN 0.630 nan 8.290 nan 0.000 0.536 193 F N 1.317 120.651 119.950 -1.026 0.000 2.802 193 F HA 0.068 4.595 4.527 -0.000 0.000 0.300 193 F C 2.788 178.438 175.800 -0.250 0.000 1.168 193 F CA 0.719 58.279 58.000 -0.734 0.000 1.433 193 F CB 0.075 38.595 39.000 -0.801 0.000 1.115 193 F HN 0.356 nan 8.300 nan 0.000 0.582 194 Q N -0.867 118.731 119.800 -0.336 0.000 2.331 194 Q HA -0.070 4.270 4.340 -0.000 0.000 0.203 194 Q C -0.410 175.477 176.000 -0.188 0.000 0.944 194 Q CA 0.831 56.492 55.803 -0.237 0.000 0.892 194 Q CB -0.377 28.096 28.738 -0.441 0.000 0.983 194 Q HN 0.295 nan 8.270 nan 0.000 0.482 195 Y N 2.151 122.487 120.300 0.060 0.000 2.334 195 Y HA 0.299 4.849 4.550 -0.000 0.000 0.328 195 Y C 0.702 176.537 175.900 -0.108 0.000 1.130 195 Y CA -1.082 56.999 58.100 -0.031 0.000 1.163 195 Y CB 1.256 39.638 38.460 -0.130 0.000 1.207 195 Y HN 0.088 nan 8.280 nan 0.000 0.471 196 S N 2.249 117.774 115.700 -0.292 0.000 2.608 196 S HA 0.195 4.665 4.470 -0.000 0.000 0.261 196 S C -1.985 172.332 174.600 -0.471 0.000 1.314 196 S CA -1.045 56.550 58.200 -1.009 0.000 0.992 196 S CB 1.030 63.623 63.200 -1.011 0.000 0.935 196 S HN 0.444 nan 8.310 nan 0.000 0.564 197 P HA -0.113 nan 4.420 nan 0.000 0.216 197 P C 1.370 178.580 177.300 -0.150 0.000 1.150 197 P CA 1.224 64.194 63.100 -0.217 0.000 0.843 197 P CB 0.056 31.653 31.700 -0.171 0.000 0.787 198 K N -0.125 120.136 120.400 -0.232 0.000 2.155 198 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 198 K C 2.004 178.544 176.600 -0.099 0.000 1.052 198 K CA 1.235 57.446 56.287 -0.127 0.000 0.948 198 K CB -0.091 32.301 32.500 -0.181 0.000 0.728 198 K HN 0.174 nan 8.250 nan 0.000 0.448 199 Q N -0.294 119.435 119.800 -0.118 0.000 2.245 199 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 199 Q C 2.092 177.994 176.000 -0.162 0.000 0.955 199 Q CA 0.779 56.556 55.803 -0.044 0.000 0.870 199 Q CB 0.128 28.930 28.738 0.107 0.000 0.945 199 Q HN 0.207 nan 8.270 nan 0.000 0.461 200 R N 0.267 120.663 120.500 -0.174 0.000 2.055 200 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 200 R C 2.275 178.474 176.300 -0.169 0.000 1.135 200 R CA 1.025 56.959 56.100 -0.278 0.000 0.959 200 R CB -0.412 29.804 30.300 -0.139 0.000 0.854 200 R HN 0.190 nan 8.270 nan 0.000 0.431 201 V N 1.507 121.359 119.914 -0.104 0.000 2.324 201 V HA -0.277 3.843 4.120 -0.000 0.000 0.250 201 V C 1.926 177.956 176.094 -0.107 0.000 1.060 201 V CA 2.374 64.620 62.300 -0.090 0.000 1.042 201 V CB -0.357 31.445 31.823 -0.034 0.000 0.650 201 V HN 0.479 nan 8.190 nan 0.000 0.450 202 E N -0.958 119.197 120.200 -0.076 0.000 2.033 202 E HA -0.300 4.050 4.350 -0.000 0.000 0.199 202 E C 2.015 178.567 176.600 -0.079 0.000 1.011 202 E CA 2.190 58.553 56.400 -0.062 0.000 0.815 202 E CB -0.401 29.282 29.700 -0.028 0.000 0.755 202 E HN 0.738 nan 8.360 nan 0.000 0.451 203 F N 1.160 120.950 119.950 -0.267 0.000 2.095 203 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 203 F C 1.954 177.633 175.800 -0.201 0.000 1.104 203 F CA 1.473 59.301 58.000 -0.285 0.000 1.232 203 F CB -0.200 38.460 39.000 -0.566 0.000 0.987 203 F HN -0.014 nan 8.300 nan 0.000 0.475 204 L N -0.591 120.587 121.223 -0.075 0.000 1.989 204 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 204 L C 2.390 179.159 176.870 -0.168 0.000 1.071 204 L CA 1.320 56.083 54.840 -0.129 0.000 0.749 204 L CB -1.040 40.960 42.059 -0.099 0.000 0.890 204 L HN 0.034 nan 8.230 nan 0.000 0.431 205 V N 0.123 119.907 119.914 -0.217 0.000 2.343 205 V HA -0.286 3.833 4.120 -0.000 0.000 0.247 205 V C 2.038 178.057 176.094 -0.126 0.000 1.051 205 V CA 2.127 64.278 62.300 -0.248 0.000 1.036 205 V CB -0.796 30.767 31.823 -0.433 0.000 0.654 205 V HN 0.511 nan 8.190 nan 0.000 0.451 206 N N -0.395 118.207 118.700 -0.165 0.000 2.171 206 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 206 N C 1.827 177.217 175.510 -0.200 0.000 1.021 206 N CA 1.596 54.554 53.050 -0.154 0.000 0.854 206 N CB -0.168 38.228 38.487 -0.152 0.000 0.994 206 N HN 0.419 nan 8.380 nan 0.000 0.426 207 T N 0.519 114.873 114.554 -0.334 0.000 2.746 207 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 207 T C 1.322 175.937 174.700 -0.142 0.000 1.039 207 T CA 0.712 62.615 62.100 -0.329 0.000 1.142 207 T CB -0.250 68.311 68.868 -0.512 0.000 0.866 207 T HN 0.451 nan 8.240 nan 0.000 0.444 208 W N 2.198 123.350 121.300 -0.247 0.000 2.358 208 W HA -0.069 4.591 4.660 -0.000 0.000 0.303 208 W C 1.742 178.179 176.519 -0.136 0.000 1.208 208 W CA 1.104 58.342 57.345 -0.178 0.000 1.274 208 W CB -0.139 29.209 29.460 -0.186 0.000 1.138 208 W HN 0.257 nan 8.180 nan 0.000 0.515 209 K N 0.219 120.627 120.400 0.013 0.000 2.228 209 K HA -0.112 4.208 4.320 -0.000 0.000 0.202 209 K C 2.294 178.830 176.600 -0.106 0.000 1.051 209 K CA 1.558 57.823 56.287 -0.036 0.000 0.960 209 K CB -0.225 32.282 32.500 0.010 0.000 0.743 209 K HN 0.042 nan 8.250 nan 0.000 0.458 210 S N 0.842 116.469 115.700 -0.122 0.000 2.402 210 S HA -0.055 4.414 4.470 -0.000 0.000 0.229 210 S C 0.718 175.232 174.600 -0.143 0.000 1.021 210 S CA 0.520 58.649 58.200 -0.119 0.000 0.974 210 S CB -0.089 63.038 63.200 -0.121 0.000 0.800 210 S HN -0.023 nan 8.310 nan 0.000 0.484 211 K N 2.270 122.546 120.400 -0.208 0.000 2.448 211 K HA 0.251 4.571 4.320 -0.000 0.000 0.278 211 K C 1.004 177.481 176.600 -0.204 0.000 1.009 211 K CA 0.075 56.226 56.287 -0.227 0.000 0.995 211 K CB 0.477 32.775 32.500 -0.336 0.000 0.917 211 K HN 0.220 nan 8.250 nan 0.000 0.481 212 K N 0.708 121.020 120.400 -0.147 0.000 1.991 212 K HA -0.132 4.188 4.320 -0.000 0.000 0.212 212 K C 0.424 176.944 176.600 -0.134 0.000 1.049 212 K CA 1.314 57.533 56.287 -0.114 0.000 0.932 212 K CB -0.016 32.437 32.500 -0.080 0.000 0.717 212 K HN 0.505 nan 8.250 nan 0.000 0.441 213 C N 2.562 121.773 119.300 -0.149 0.000 2.814 213 C HA 0.365 4.825 4.460 -0.000 0.000 0.269 213 C C -2.713 172.150 174.990 -0.213 0.000 1.090 213 C CA -2.516 56.414 59.018 -0.145 0.000 1.492 213 C CB 0.233 27.929 27.740 -0.073 0.000 1.825 213 C HN 0.204 nan 8.230 nan 0.000 0.442 214 P HA 0.187 nan 4.420 nan 0.000 0.271 214 P C -0.573 176.431 177.300 -0.494 0.000 1.220 214 P CA 0.328 62.982 63.100 -0.744 0.000 0.768 214 P CB 0.849 31.468 31.700 -1.801 0.000 0.848 215 M N 2.746 122.152 119.600 -0.323 0.000 2.464 215 M HA 0.684 5.164 4.480 -0.000 0.000 0.308 215 M C -0.756 175.503 176.300 -0.068 0.000 1.127 215 M CA -0.349 54.825 55.300 -0.209 0.000 0.913 215 M CB 2.430 34.948 32.600 -0.137 0.000 1.689 215 M HN 0.570 nan 8.290 nan 0.000 0.445 216 G N 3.827 112.663 108.800 0.060 0.000 2.696 216 G HA2 0.795 4.754 3.960 -0.000 0.000 0.295 216 G HA3 0.795 4.754 3.960 -0.000 0.000 0.295 216 G C -2.025 172.977 174.900 0.171 0.000 1.398 216 G CA -0.584 44.612 45.100 0.160 0.000 0.920 216 G HN 0.805 nan 8.290 nan 0.000 0.492 217 F N -0.203 119.715 119.950 -0.053 0.000 2.703 217 F HA 0.816 5.343 4.527 -0.000 0.000 0.308 217 F C -0.345 175.443 175.800 -0.021 0.000 1.126 217 F CA -1.218 56.748 58.000 -0.057 0.000 0.959 217 F CB 1.326 40.271 39.000 -0.092 0.000 1.297 217 F HN 0.746 nan 8.300 nan 0.000 0.441 218 S N 1.569 117.322 115.700 0.089 0.000 2.651 218 S HA 0.742 5.212 4.470 -0.000 0.000 0.291 218 S C -1.697 173.088 174.600 0.310 0.000 1.141 218 S CA -0.514 57.719 58.200 0.054 0.000 1.027 218 S CB 1.730 64.954 63.200 0.040 0.000 1.043 218 S HN 1.002 nan 8.310 nan 0.000 0.530 219 Y N 1.333 121.714 120.300 0.135 0.000 2.346 219 Y HA 0.459 5.009 4.550 -0.000 0.000 0.332 219 Y C -1.379 174.626 175.900 0.175 0.000 0.985 219 Y CA -0.636 57.614 58.100 0.249 0.000 1.112 219 Y CB 1.490 40.198 38.460 0.414 0.000 1.170 219 Y HN 1.000 nan 8.280 nan 0.000 0.447 220 D N 3.113 123.394 120.400 -0.199 0.000 2.375 220 D HA 0.410 5.050 4.640 -0.000 0.000 0.247 220 D C -0.749 175.415 176.300 -0.226 0.000 1.061 220 D CA -0.506 53.437 54.000 -0.096 0.000 0.834 220 D CB 1.851 42.630 40.800 -0.035 0.000 1.247 220 D HN 0.467 nan 8.370 nan 0.000 0.489 221 T N 0.545 115.131 114.554 0.053 0.000 2.907 221 T HA 0.347 4.697 4.350 -0.000 0.000 0.284 221 T C 0.093 174.877 174.700 0.139 0.000 1.004 221 T CA -1.093 61.089 62.100 0.136 0.000 1.063 221 T CB 1.190 70.317 68.868 0.432 0.000 0.992 221 T HN 0.489 nan 8.240 nan 0.000 0.483 222 R N 2.625 123.178 120.500 0.089 0.000 2.288 222 R HA 0.324 4.663 4.340 -0.000 0.000 0.330 222 R C -0.151 176.257 176.300 0.180 0.000 1.069 222 R CA -0.196 55.953 56.100 0.082 0.000 0.941 222 R CB -1.205 29.090 30.300 -0.009 0.000 0.998 222 R HN 0.989 nan 8.270 nan 0.000 0.452 223 C N 4.772 124.207 119.300 0.225 0.000 3.442 223 C HA -0.155 4.305 4.460 -0.000 0.000 0.288 223 C C 1.262 176.452 174.990 0.334 0.000 1.238 223 C CA -0.174 59.023 59.018 0.299 0.000 2.320 223 C CB -3.094 24.873 27.740 0.378 0.000 1.459 223 C HN 1.010 nan 8.230 nan 0.000 0.544 224 F N 1.709 121.773 119.950 0.191 0.000 2.087 224 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 224 F C 1.988 177.895 175.800 0.178 0.000 1.100 224 F CA 2.481 60.592 58.000 0.186 0.000 1.226 224 F CB 0.017 39.115 39.000 0.164 0.000 0.983 224 F HN 0.501 nan 8.300 nan 0.000 0.479 225 D N -0.428 120.185 120.400 0.354 0.000 2.104 225 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 225 D C 2.475 178.839 176.300 0.106 0.000 0.994 225 D CA 1.747 55.892 54.000 0.242 0.000 0.830 225 D CB -0.547 40.407 40.800 0.257 0.000 0.959 225 D HN 0.225 nan 8.370 nan 0.000 0.452 226 S N -0.543 115.239 115.700 0.136 0.000 2.423 226 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 226 S C 2.050 176.597 174.600 -0.089 0.000 1.014 226 S CA 1.479 59.675 58.200 -0.007 0.000 0.965 226 S CB -0.338 62.836 63.200 -0.042 0.000 0.785 226 S HN 0.535 nan 8.310 nan 0.000 0.495 227 T N -0.321 114.262 114.554 0.049 0.000 2.995 227 T HA 0.088 4.438 4.350 -0.000 0.000 0.269 227 T C 0.735 175.366 174.700 -0.115 0.000 1.091 227 T CA 0.149 62.269 62.100 0.034 0.000 1.128 227 T CB -0.508 68.365 68.868 0.008 0.000 0.891 227 T HN 0.060 nan 8.240 nan 0.000 0.492 228 V N 4.158 123.954 119.914 -0.197 0.000 2.450 228 V HA 0.221 4.341 4.120 -0.000 0.000 0.281 228 V C 1.231 177.274 176.094 -0.085 0.000 1.019 228 V CA -0.064 62.141 62.300 -0.159 0.000 1.062 228 V CB -0.231 31.526 31.823 -0.108 0.000 0.979 228 V HN 0.737 nan 8.190 nan 0.000 0.477 229 T N 1.333 115.853 114.554 -0.057 0.000 2.847 229 T HA 0.233 4.583 4.350 -0.000 0.000 0.279 229 T C 1.145 175.830 174.700 -0.025 0.000 0.984 229 T CA -0.152 61.923 62.100 -0.043 0.000 0.988 229 T CB 1.266 70.117 68.868 -0.029 0.000 1.040 229 T HN 0.727 nan 8.240 nan 0.000 0.528 230 E N 0.260 120.446 120.200 -0.023 0.000 2.058 230 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 230 E C 2.183 178.787 176.600 0.006 0.000 0.997 230 E CA 1.648 58.045 56.400 -0.005 0.000 0.801 230 E CB -0.391 29.304 29.700 -0.008 0.000 0.746 230 E HN 0.700 nan 8.360 nan 0.000 0.450 231 S N 0.571 116.268 115.700 -0.004 0.000 2.365 231 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 231 S C 1.608 176.221 174.600 0.022 0.000 1.039 231 S CA 1.942 60.142 58.200 0.000 0.000 1.033 231 S CB -0.503 62.683 63.200 -0.023 0.000 0.887 231 S HN 0.325 nan 8.310 nan 0.000 0.447 232 D N 1.012 121.426 120.400 0.024 0.000 2.104 232 D HA -0.064 4.576 4.640 -0.000 0.000 0.194 232 D C 1.867 178.188 176.300 0.036 0.000 0.994 232 D CA 1.387 55.416 54.000 0.047 0.000 0.830 232 D CB -0.481 40.338 40.800 0.032 0.000 0.959 232 D HN 0.498 nan 8.370 nan 0.000 0.452 233 I N 0.413 121.004 120.570 0.035 0.000 2.361 233 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 233 I C 2.476 178.623 176.117 0.050 0.000 1.133 233 I CA 0.891 62.221 61.300 0.050 0.000 1.413 233 I CB 0.005 38.053 38.000 0.079 0.000 1.073 233 I HN -0.077 nan 8.210 nan 0.000 0.424 234 R N -0.101 120.424 120.500 0.042 0.000 2.062 234 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 234 R C 2.352 178.659 176.300 0.012 0.000 1.128 234 R CA 1.188 57.310 56.100 0.037 0.000 0.960 234 R CB -0.511 29.807 30.300 0.030 0.000 0.855 234 R HN 0.151 nan 8.270 nan 0.000 0.432 235 V N 1.633 121.555 119.914 0.014 0.000 2.317 235 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 235 V C 2.356 178.403 176.094 -0.078 0.000 1.065 235 V CA 2.231 64.532 62.300 0.002 0.000 1.049 235 V CB -0.545 31.317 31.823 0.065 0.000 0.651 235 V HN 0.448 nan 8.190 nan 0.000 0.450 236 E N -0.099 120.031 120.200 -0.117 0.000 2.058 236 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 236 E C 2.325 178.626 176.600 -0.498 0.000 0.997 236 E CA 1.666 57.881 56.400 -0.307 0.000 0.801 236 E CB -0.220 29.338 29.700 -0.236 0.000 0.746 236 E HN 0.707 nan 8.360 nan 0.000 0.450 237 E N 0.166 120.256 120.200 -0.182 0.000 2.130 237 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 237 E C 2.089 178.686 176.600 -0.006 0.000 0.998 237 E CA 1.579 57.994 56.400 0.026 0.000 0.806 237 E CB -0.131 29.645 29.700 0.126 0.000 0.738 237 E HN 0.320 nan 8.360 nan 0.000 0.459 238 S N 0.045 115.717 115.700 -0.046 0.000 2.423 238 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 238 S C 1.982 176.554 174.600 -0.046 0.000 1.014 238 S CA 0.875 59.061 58.200 -0.023 0.000 0.965 238 S CB -0.392 62.798 63.200 -0.016 0.000 0.785 238 S HN 0.327 nan 8.310 nan 0.000 0.495 239 I N -0.255 120.234 120.570 -0.135 0.000 2.406 239 I HA -0.055 4.115 4.170 -0.000 0.000 0.249 239 I C 2.087 178.182 176.117 -0.038 0.000 1.122 239 I CA 0.932 62.153 61.300 -0.132 0.000 1.431 239 I CB -0.381 37.487 38.000 -0.221 0.000 1.087 239 I HN 0.231 nan 8.210 nan 0.000 0.424 240 Y N 1.038 121.338 120.300 0.000 0.000 2.200 240 Y HA -0.173 4.377 4.550 -0.000 0.000 0.290 240 Y C 2.628 178.534 175.900 0.010 0.000 1.137 240 Y CA 0.633 58.736 58.100 0.005 0.000 1.163 240 Y CB -0.872 37.603 38.460 0.025 0.000 0.988 240 Y HN 0.184 nan 8.280 nan 0.000 0.518 241 Q N -1.174 118.724 119.800 0.163 0.000 2.437 241 Q HA -0.120 4.220 4.340 -0.000 0.000 0.210 241 Q C 2.159 178.197 176.000 0.064 0.000 0.972 241 Q CA 0.791 56.653 55.803 0.099 0.000 0.903 241 Q CB -0.788 27.992 28.738 0.071 0.000 0.967 241 Q HN 0.490 nan 8.270 nan 0.000 0.486 242 C N 0.197 119.530 119.300 0.055 0.000 2.472 242 C HA -0.004 4.456 4.460 -0.000 0.000 0.278 242 C C 1.399 176.409 174.990 0.033 0.000 1.447 242 C CA -0.648 58.390 59.018 0.033 0.000 1.773 242 C CB -0.919 26.831 27.740 0.016 0.000 1.793 242 C HN 0.389 nan 8.230 nan 0.000 0.544 243 C N 0.772 120.101 119.300 0.049 0.000 2.422 243 C HA 0.330 4.789 4.460 -0.000 0.000 0.364 243 C C 0.328 175.336 174.990 0.031 0.000 1.251 243 C CA -0.625 58.415 59.018 0.036 0.000 2.441 243 C CB 0.159 27.924 27.740 0.042 0.000 2.393 243 C HN 0.497 nan 8.230 nan 0.000 0.606 244 D N 0.818 121.232 120.400 0.023 0.000 2.383 244 D HA 0.470 5.110 4.640 -0.000 0.000 0.252 244 D C -0.908 175.408 176.300 0.026 0.000 1.166 244 D CA 0.388 54.401 54.000 0.022 0.000 0.879 244 D CB 0.246 41.056 40.800 0.016 0.000 1.164 244 D HN 0.376 nan 8.370 nan 0.000 0.462 245 L N 2.930 124.171 121.223 0.030 0.000 2.436 245 L HA 0.570 4.910 4.340 -0.000 0.000 0.268 245 L C 0.005 176.899 176.870 0.040 0.000 0.974 245 L CA -1.481 53.381 54.840 0.037 0.000 0.826 245 L CB 1.945 44.029 42.059 0.041 0.000 1.291 245 L HN 0.484 nan 8.230 nan 0.000 0.406 246 A N 3.974 126.824 122.820 0.050 0.000 2.565 246 A HA 0.224 4.544 4.320 -0.000 0.000 0.237 246 A C -1.674 175.946 177.584 0.060 0.000 1.053 246 A CA -0.614 51.457 52.037 0.057 0.000 0.755 246 A CB -0.171 18.874 19.000 0.076 0.000 0.980 246 A HN 0.635 nan 8.150 nan 0.000 0.506 247 P HA -0.215 nan 4.420 nan 0.000 0.216 247 P C 1.150 178.465 177.300 0.025 0.000 1.157 247 P CA 1.860 64.978 63.100 0.030 0.000 0.880 247 P CB 0.099 31.812 31.700 0.023 0.000 0.791 248 E N -0.673 119.562 120.200 0.059 0.000 2.118 248 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 248 E C 2.086 178.711 176.600 0.042 0.000 0.992 248 E CA 1.250 57.681 56.400 0.052 0.000 0.804 248 E CB -0.561 29.267 29.700 0.214 0.000 0.741 248 E HN 0.180 nan 8.360 nan 0.000 0.458 249 A N 1.615 124.533 122.820 0.164 0.000 1.902 249 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 249 A C 2.119 179.733 177.584 0.051 0.000 1.181 249 A CA 1.544 53.682 52.037 0.168 0.000 0.623 249 A CB -0.462 18.634 19.000 0.159 0.000 0.818 249 A HN 0.081 nan 8.150 nan 0.000 0.443 250 R N -0.988 119.529 120.500 0.029 0.000 2.073 250 R HA -0.211 4.129 4.340 -0.000 0.000 0.234 250 R C 2.429 178.716 176.300 -0.022 0.000 1.134 250 R CA 1.953 58.061 56.100 0.013 0.000 0.952 250 R CB -0.253 30.057 30.300 0.016 0.000 0.850 250 R HN 0.540 nan 8.270 nan 0.000 0.433 251 Q N 0.131 119.893 119.800 -0.064 0.000 2.119 251 Q HA -0.032 4.308 4.340 -0.000 0.000 0.201 251 Q C 1.753 177.654 176.000 -0.166 0.000 0.972 251 Q CA 1.850 57.587 55.803 -0.109 0.000 0.847 251 Q CB -0.207 28.449 28.738 -0.136 0.000 0.903 251 Q HN 0.428 nan 8.270 nan 0.000 0.433 252 A N 0.315 122.998 122.820 -0.228 0.000 1.883 252 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 252 A C 2.108 179.618 177.584 -0.122 0.000 1.186 252 A CA 1.762 53.631 52.037 -0.280 0.000 0.624 252 A CB -0.818 17.989 19.000 -0.321 0.000 0.822 252 A HN 0.477 nan 8.150 nan 0.000 0.444 253 I N -1.312 119.236 120.570 -0.037 0.000 2.315 253 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 253 I C 2.627 178.759 176.117 0.024 0.000 1.117 253 I CA 1.443 62.760 61.300 0.029 0.000 1.404 253 I CB -0.214 37.826 38.000 0.066 0.000 1.071 253 I HN 0.270 nan 8.210 nan 0.000 0.419 254 R N 1.126 121.622 120.500 -0.006 0.000 2.073 254 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 254 R C 2.298 178.570 176.300 -0.048 0.000 1.134 254 R CA 2.178 58.273 56.100 -0.009 0.000 0.952 254 R CB -0.717 29.570 30.300 -0.022 0.000 0.850 254 R HN 0.185 nan 8.270 nan 0.000 0.433 255 S N 0.388 116.030 115.700 -0.096 0.000 2.355 255 S HA -0.042 4.428 4.470 -0.000 0.000 0.222 255 S C 1.896 176.400 174.600 -0.160 0.000 1.031 255 S CA 1.319 59.446 58.200 -0.122 0.000 0.993 255 S CB -0.315 62.792 63.200 -0.154 0.000 0.859 255 S HN 0.259 nan 8.310 nan 0.000 0.453 256 L N 1.311 122.406 121.223 -0.213 0.000 2.127 256 L HA -0.147 4.192 4.340 -0.000 0.000 0.211 256 L C 2.617 179.165 176.870 -0.537 0.000 1.089 256 L CA 1.164 55.757 54.840 -0.412 0.000 0.757 256 L CB -1.132 40.645 42.059 -0.471 0.000 0.899 256 L HN 0.343 nan 8.230 nan 0.000 0.434 257 T N -1.316 113.116 114.554 -0.204 0.000 2.708 257 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 257 T C 1.803 176.488 174.700 -0.024 0.000 1.037 257 T CA 1.075 63.178 62.100 0.006 0.000 1.146 257 T CB -0.118 68.842 68.868 0.154 0.000 0.865 257 T HN 0.250 nan 8.240 nan 0.000 0.435 258 E N 0.940 121.113 120.200 -0.045 0.000 2.150 258 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 258 E C 2.355 178.926 176.600 -0.048 0.000 0.985 258 E CA 0.768 57.150 56.400 -0.030 0.000 0.814 258 E CB -0.052 29.629 29.700 -0.031 0.000 0.752 258 E HN 0.388 nan 8.360 nan 0.000 0.466 259 R N -0.545 119.895 120.500 -0.100 0.000 2.265 259 R HA 0.096 4.436 4.340 -0.000 0.000 0.194 259 R C 1.634 177.868 176.300 -0.110 0.000 0.931 259 R CA 0.282 56.325 56.100 -0.095 0.000 1.032 259 R CB 0.454 30.688 30.300 -0.110 0.000 0.980 259 R HN 0.081 nan 8.270 nan 0.000 0.497 260 L N -2.532 118.593 121.223 -0.162 0.000 2.567 260 L HA 0.162 4.501 4.340 -0.000 0.000 0.228 260 L C 1.038 177.911 176.870 0.005 0.000 1.046 260 L CA 0.553 55.307 54.840 -0.144 0.000 1.013 260 L CB -0.087 41.806 42.059 -0.277 0.000 1.944 260 L HN -0.178 nan 8.230 nan 0.000 0.510 261 Y N 1.314 121.625 120.300 0.018 0.000 2.206 261 Y HA 0.106 4.656 4.550 -0.000 0.000 0.292 261 Y C 2.490 178.395 175.900 0.008 0.000 1.123 261 Y CA 1.306 59.425 58.100 0.032 0.000 1.142 261 Y CB -0.974 37.527 38.460 0.068 0.000 1.006 261 Y HN 0.319 nan 8.280 nan 0.000 0.518 262 I N -2.082 118.575 120.570 0.145 0.000 2.756 262 I HA 0.268 4.438 4.170 -0.000 0.000 0.262 262 I C 1.060 177.188 176.117 0.019 0.000 1.225 262 I CA 1.201 62.543 61.300 0.070 0.000 1.472 262 I CB -0.515 37.516 38.000 0.052 0.000 1.094 262 I HN 0.153 nan 8.210 nan 0.000 0.454 263 G N -0.447 108.347 108.800 -0.009 0.000 2.352 263 G HA2 0.456 4.415 3.960 -0.000 0.000 0.283 263 G HA3 0.456 4.415 3.960 -0.000 0.000 0.283 263 G C -0.621 174.151 174.900 -0.213 0.000 1.308 263 G CA -0.256 44.780 45.100 -0.108 0.000 0.892 263 G HN 0.949 nan 8.290 nan 0.000 0.504 264 G N -1.202 107.220 108.800 -0.629 0.000 2.369 264 G HA2 0.613 4.573 3.960 -0.000 0.000 0.293 264 G HA3 0.613 4.573 3.960 -0.000 0.000 0.293 264 G C -3.471 170.688 174.900 -1.235 0.000 1.301 264 G CA 0.237 44.865 45.100 -0.788 0.000 0.913 264 G HN 0.981 nan 8.290 nan 0.000 0.540 265 P HA 0.488 nan 4.420 nan 0.000 0.279 265 P C -0.438 176.746 177.300 -0.194 0.000 1.239 265 P CA -0.144 62.784 63.100 -0.287 0.000 0.789 265 P CB 1.174 32.859 31.700 -0.025 0.000 0.933 266 L N 2.829 123.986 121.223 -0.111 0.000 2.307 266 L HA 0.486 4.826 4.340 -0.000 0.000 0.284 266 L C 0.443 177.316 176.870 0.004 0.000 1.023 266 L CA -0.281 54.534 54.840 -0.043 0.000 0.810 266 L CB 1.721 43.791 42.059 0.019 0.000 1.231 266 L HN 0.289 nan 8.230 nan 0.000 0.423 267 T N 1.369 115.910 114.554 -0.021 0.000 2.812 267 T HA 0.290 4.640 4.350 -0.000 0.000 0.282 267 T C -0.190 174.499 174.700 -0.017 0.000 0.990 267 T CA -0.868 61.224 62.100 -0.013 0.000 0.960 267 T CB 1.422 70.268 68.868 -0.037 0.000 0.948 267 T HN 0.649 nan 8.240 nan 0.000 0.438 268 N N 1.083 119.791 118.700 0.013 0.000 2.317 268 N HA 0.055 4.795 4.740 -0.000 0.000 0.245 268 N C 1.396 176.903 175.510 -0.006 0.000 1.294 268 N CA -0.176 52.882 53.050 0.013 0.000 0.924 268 N CB 0.210 38.715 38.487 0.030 0.000 1.186 268 N HN 0.473 nan 8.380 nan 0.000 0.495 269 S N -1.365 114.339 115.700 0.007 0.000 2.515 269 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 269 S C 0.730 175.330 174.600 0.001 0.000 0.987 269 S CA 0.439 58.644 58.200 0.008 0.000 0.936 269 S CB -0.404 62.815 63.200 0.032 0.000 0.766 269 S HN 0.608 nan 8.310 nan 0.000 0.528 270 K N 0.971 121.373 120.400 0.003 0.000 2.520 270 K HA 0.272 4.592 4.320 -0.000 0.000 0.205 270 K C 1.189 177.785 176.600 -0.007 0.000 1.035 270 K CA 0.330 56.616 56.287 -0.001 0.000 1.188 270 K CB -0.221 32.282 32.500 0.004 0.000 0.894 270 K HN 0.526 nan 8.250 nan 0.000 0.497 271 G N 1.650 110.441 108.800 -0.014 0.000 2.189 271 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 271 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 271 G C -0.041 174.855 174.900 -0.008 0.000 0.975 271 G CA 0.242 45.330 45.100 -0.020 0.000 0.644 271 G HN 0.445 nan 8.290 nan 0.000 0.537 272 Q N 0.245 120.048 119.800 0.004 0.000 2.293 272 Q HA 0.276 4.616 4.340 -0.000 0.000 0.251 272 Q C 0.426 176.443 176.000 0.029 0.000 0.930 272 Q CA -0.504 55.309 55.803 0.017 0.000 0.893 272 Q CB 0.723 29.475 28.738 0.024 0.000 1.215 272 Q HN 0.357 nan 8.270 nan 0.000 0.425 273 N N 2.158 120.880 118.700 0.036 0.000 2.406 273 N HA -0.038 4.702 4.740 -0.000 0.000 0.274 273 N C -0.037 175.524 175.510 0.085 0.000 1.249 273 N CA -0.306 52.775 53.050 0.051 0.000 0.951 273 N CB 0.424 38.941 38.487 0.050 0.000 1.241 273 N HN 0.655 nan 8.380 nan 0.000 0.485 274 C N 2.864 122.229 119.300 0.107 0.000 2.468 274 C HA 0.197 4.657 4.460 -0.000 0.000 0.277 274 C C 1.503 176.636 174.990 0.238 0.000 1.400 274 C CA 0.871 60.006 59.018 0.194 0.000 1.770 274 C CB -1.208 26.674 27.740 0.237 0.000 1.905 274 C HN 0.973 nan 8.230 nan 0.000 0.519 275 G N -2.148 106.726 108.800 0.124 0.000 2.350 275 G HA2 0.167 4.127 3.960 -0.000 0.000 0.085 275 G HA3 0.167 4.127 3.960 -0.000 0.000 0.085 275 G C -1.584 173.350 174.900 0.056 0.000 1.159 275 G CA -0.102 45.038 45.100 0.066 0.000 1.146 275 G HN 0.145 nan 8.290 nan 0.000 0.449 276 Y N 0.705 120.863 120.300 -0.237 0.000 2.480 276 Y HA 0.692 5.242 4.550 -0.000 0.000 0.329 276 Y C -0.445 175.283 175.900 -0.286 0.000 1.127 276 Y CA -0.705 57.273 58.100 -0.202 0.000 1.037 276 Y CB 1.860 40.218 38.460 -0.170 0.000 1.320 276 Y HN 0.716 nan 8.280 nan 0.000 0.446 277 R N 4.901 125.109 120.500 -0.485 0.000 2.494 277 R HA 0.627 4.967 4.340 -0.000 0.000 0.305 277 R C -1.085 174.981 176.300 -0.390 0.000 0.959 277 R CA -0.742 55.030 56.100 -0.547 0.000 0.864 277 R CB 1.136 31.209 30.300 -0.377 0.000 1.159 277 R HN 0.887 nan 8.270 nan 0.000 0.446 278 R N 3.778 124.027 120.500 -0.418 0.000 2.834 278 R HA 0.251 4.591 4.340 -0.000 0.000 0.362 278 R C -0.777 175.372 176.300 -0.252 0.000 1.147 278 R CA -0.362 55.611 56.100 -0.211 0.000 1.125 278 R CB 0.444 30.673 30.300 -0.117 0.000 1.361 278 R HN 0.824 nan 8.270 nan 0.000 0.598 279 C N -2.366 116.763 119.300 -0.286 0.000 3.276 279 C HA 0.536 4.996 4.460 -0.000 0.000 0.370 279 C C -0.417 174.522 174.990 -0.086 0.000 1.624 279 C CA -1.486 57.413 59.018 -0.198 0.000 1.179 279 C CB 1.169 28.741 27.740 -0.280 0.000 1.909 279 C HN 0.543 nan 8.230 nan 0.000 0.434 280 R N 1.131 121.627 120.500 -0.008 0.000 2.570 280 R HA 0.495 4.835 4.340 -0.000 0.000 0.277 280 R C 0.102 176.463 176.300 0.102 0.000 1.039 280 R CA 0.904 57.044 56.100 0.067 0.000 1.065 280 R CB 0.264 30.636 30.300 0.120 0.000 0.964 280 R HN 1.205 nan 8.270 nan 0.000 0.428 281 A N 3.046 125.936 122.820 0.117 0.000 2.331 281 A HA 0.237 4.557 4.320 -0.000 0.000 0.283 281 A C 0.757 178.439 177.584 0.163 0.000 1.142 281 A CA -0.213 51.916 52.037 0.154 0.000 0.812 281 A CB 0.939 20.036 19.000 0.161 0.000 1.074 281 A HN 0.974 nan 8.150 nan 0.000 0.497 282 S N 1.522 117.334 115.700 0.186 0.000 2.558 282 S HA 0.192 4.662 4.470 -0.000 0.000 0.217 282 S C 0.939 175.634 174.600 0.158 0.000 0.975 282 S CA 0.521 58.824 58.200 0.171 0.000 0.912 282 S CB 0.194 63.501 63.200 0.179 0.000 0.776 282 S HN 1.327 nan 8.310 nan 0.000 0.526 283 G N 1.817 110.731 108.800 0.191 0.000 4.828 283 G HA2 0.523 4.483 3.960 -0.000 0.000 0.294 283 G HA3 0.523 4.483 3.960 -0.000 0.000 0.294 283 G C -0.282 174.738 174.900 0.200 0.000 1.288 283 G CA -0.193 45.018 45.100 0.185 0.000 0.987 283 G HN 0.550 nan 8.290 nan 0.000 0.587 284 V N -2.143 117.868 119.914 0.162 0.000 3.046 284 V HA 0.616 4.736 4.120 -0.000 0.000 0.316 284 V C 1.304 177.459 176.094 0.103 0.000 1.104 284 V CA -0.945 61.456 62.300 0.168 0.000 1.006 284 V CB 1.823 33.776 31.823 0.217 0.000 1.058 284 V HN 0.089 nan 8.190 nan 0.000 0.440 285 L N 2.483 123.775 121.223 0.116 0.000 2.083 285 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 285 L C 2.368 179.262 176.870 0.040 0.000 1.083 285 L CA 3.013 57.915 54.840 0.104 0.000 0.752 285 L CB -0.558 41.582 42.059 0.134 0.000 0.899 285 L HN 1.103 nan 8.230 nan 0.000 0.433 286 T N -6.003 108.507 114.554 -0.073 0.000 3.129 286 T HA -0.015 4.335 4.350 -0.000 0.000 0.251 286 T C 1.637 176.292 174.700 -0.074 0.000 1.117 286 T CA 0.776 62.798 62.100 -0.129 0.000 1.034 286 T CB -0.631 68.022 68.868 -0.358 0.000 0.968 286 T HN 0.242 nan 8.240 nan 0.000 0.526 287 T N 2.251 116.785 114.554 -0.035 0.000 2.580 287 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 287 T C 2.224 176.950 174.700 0.043 0.000 1.063 287 T CA 2.024 64.140 62.100 0.027 0.000 1.170 287 T CB -0.797 68.110 68.868 0.066 0.000 0.863 287 T HN 0.601 nan 8.240 nan 0.000 0.418 288 S N -0.004 115.704 115.700 0.013 0.000 2.354 288 S HA -0.191 4.279 4.470 -0.000 0.000 0.219 288 S C 2.483 177.097 174.600 0.024 0.000 1.035 288 S CA 1.888 60.081 58.200 -0.012 0.000 1.037 288 S CB -1.144 61.957 63.200 -0.165 0.000 0.956 288 S HN 0.681 nan 8.310 nan 0.000 0.428 289 C N 1.549 120.843 119.300 -0.011 0.000 2.393 289 C HA 0.033 4.493 4.460 -0.000 0.000 0.276 289 C C 2.902 177.932 174.990 0.067 0.000 1.215 289 C CA 1.358 60.388 59.018 0.019 0.000 1.743 289 C CB -1.988 25.751 27.740 -0.001 0.000 2.044 289 C HN 0.745 nan 8.230 nan 0.000 0.464 290 G N 0.702 109.553 108.800 0.084 0.000 2.491 290 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 290 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 290 G C 1.518 176.490 174.900 0.120 0.000 1.180 290 G CA 1.276 46.424 45.100 0.079 0.000 0.774 290 G HN 0.646 nan 8.290 nan 0.000 0.562 291 N N 0.424 119.214 118.700 0.149 0.000 2.069 291 N HA -0.105 4.635 4.740 -0.000 0.000 0.191 291 N C 2.439 177.988 175.510 0.064 0.000 1.031 291 N CA 1.779 54.933 53.050 0.173 0.000 0.852 291 N CB -0.929 37.581 38.487 0.038 0.000 1.018 291 N HN 0.287 nan 8.380 nan 0.000 0.423 292 T N 2.369 116.973 114.554 0.083 0.000 2.665 292 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 292 T C 2.161 176.935 174.700 0.124 0.000 1.035 292 T CA 0.946 63.120 62.100 0.123 0.000 1.151 292 T CB -0.359 68.661 68.868 0.253 0.000 0.862 292 T HN 0.157 nan 8.240 nan 0.000 0.438 293 L N 0.564 121.834 121.223 0.078 0.000 2.005 293 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 293 L C 3.009 179.955 176.870 0.126 0.000 1.072 293 L CA 1.332 56.206 54.840 0.056 0.000 0.744 293 L CB -1.406 40.626 42.059 -0.044 0.000 0.895 293 L HN 0.251 nan 8.230 nan 0.000 0.433 294 T N -0.863 113.783 114.554 0.153 0.000 2.737 294 T HA -0.278 4.072 4.350 -0.000 0.000 0.269 294 T C 1.991 176.877 174.700 0.309 0.000 1.040 294 T CA 1.730 63.964 62.100 0.223 0.000 1.142 294 T CB -0.454 68.609 68.868 0.325 0.000 0.861 294 T HN 0.528 nan 8.240 nan 0.000 0.456 295 C N 0.111 119.612 119.300 0.336 0.000 2.492 295 C HA 0.086 4.546 4.460 -0.000 0.000 0.279 295 C C 2.320 177.438 174.990 0.214 0.000 1.335 295 C CA -0.112 59.090 59.018 0.307 0.000 1.734 295 C CB -1.411 26.368 27.740 0.066 0.000 2.027 295 C HN 0.618 nan 8.230 nan 0.000 0.496 296 Y N 1.499 121.840 120.300 0.068 0.000 2.097 296 Y HA -0.149 4.401 4.550 -0.000 0.000 0.282 296 Y C 2.248 178.150 175.900 0.003 0.000 1.152 296 Y CA 2.278 60.400 58.100 0.038 0.000 1.136 296 Y CB -0.762 37.709 38.460 0.019 0.000 0.975 296 Y HN 0.313 nan 8.280 nan 0.000 0.498 297 L N 1.040 122.316 121.223 0.087 0.000 2.051 297 L HA -0.276 4.064 4.340 -0.000 0.000 0.214 297 L C 2.052 178.783 176.870 -0.231 0.000 1.076 297 L CA 2.150 56.909 54.840 -0.134 0.000 0.758 297 L CB -0.780 41.156 42.059 -0.205 0.000 0.890 297 L HN 0.242 nan 8.230 nan 0.000 0.433 298 K N -1.038 119.306 120.400 -0.092 0.000 2.076 298 K HA 0.064 4.384 4.320 -0.000 0.000 0.204 298 K C 2.102 178.706 176.600 0.007 0.000 1.051 298 K CA 1.044 57.308 56.287 -0.039 0.000 0.949 298 K CB -0.363 32.226 32.500 0.148 0.000 0.726 298 K HN 0.439 nan 8.250 nan 0.000 0.443 299 A N 0.987 123.809 122.820 0.004 0.000 1.902 299 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 299 A C 2.186 179.784 177.584 0.022 0.000 1.181 299 A CA 1.976 54.049 52.037 0.061 0.000 0.623 299 A CB -0.946 18.126 19.000 0.119 0.000 0.818 299 A HN 0.224 nan 8.150 nan 0.000 0.443 300 T N 0.093 114.536 114.554 -0.185 0.000 2.821 300 T HA 0.042 4.392 4.350 -0.000 0.000 0.267 300 T C 2.198 176.846 174.700 -0.087 0.000 1.046 300 T CA 1.392 63.354 62.100 -0.231 0.000 1.139 300 T CB -0.354 68.196 68.868 -0.531 0.000 0.871 300 T HN 0.580 nan 8.240 nan 0.000 0.454 301 A N 1.360 124.136 122.820 -0.073 0.000 1.898 301 A HA 0.230 4.550 4.320 -0.000 0.000 0.216 301 A C 2.549 180.193 177.584 0.099 0.000 1.181 301 A CA 1.616 53.674 52.037 0.035 0.000 0.620 301 A CB -0.907 18.082 19.000 -0.018 0.000 0.819 301 A HN 0.491 nan 8.150 nan 0.000 0.442 302 A N -1.241 121.644 122.820 0.109 0.000 2.119 302 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 302 A C 2.074 179.727 177.584 0.114 0.000 1.153 302 A CA 1.373 53.399 52.037 -0.018 0.000 0.692 302 A CB -1.008 17.703 19.000 -0.481 0.000 0.799 302 A HN 0.618 nan 8.150 nan 0.000 0.458 303 C N -1.022 118.399 119.300 0.202 0.000 2.467 303 C HA 0.036 4.496 4.460 -0.000 0.000 0.279 303 C C 2.721 177.735 174.990 0.040 0.000 1.347 303 C CA 0.622 59.756 59.018 0.193 0.000 1.748 303 C CB -1.189 26.631 27.740 0.133 0.000 1.977 303 C HN 0.620 nan 8.230 nan 0.000 0.501 304 R N 1.488 121.960 120.500 -0.046 0.000 2.073 304 R HA -0.001 4.339 4.340 -0.000 0.000 0.229 304 R C 2.499 178.560 176.300 -0.399 0.000 1.120 304 R CA 1.400 57.400 56.100 -0.167 0.000 0.967 304 R CB -0.510 29.720 30.300 -0.116 0.000 0.862 304 R HN 0.493 nan 8.270 nan 0.000 0.436 305 A N 1.339 123.874 122.820 -0.475 0.000 1.917 305 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 305 A C 2.196 179.686 177.584 -0.157 0.000 1.182 305 A CA 1.958 53.769 52.037 -0.377 0.000 0.633 305 A CB -0.519 18.360 19.000 -0.202 0.000 0.819 305 A HN 0.406 nan 8.150 nan 0.000 0.448 306 A N -2.131 120.650 122.820 -0.065 0.000 2.275 306 A HA 0.336 4.656 4.320 -0.000 0.000 0.212 306 A C 0.934 178.519 177.584 0.003 0.000 1.201 306 A CA 0.676 52.715 52.037 0.003 0.000 0.843 306 A CB -0.250 18.809 19.000 0.099 0.000 0.873 306 A HN 0.442 nan 8.150 nan 0.000 0.492 307 K N -1.143 119.247 120.400 -0.016 0.000 3.125 307 K HA -0.146 4.174 4.320 -0.000 0.000 0.268 307 K C -1.103 175.502 176.600 0.009 0.000 1.078 307 K CA 0.251 56.535 56.287 -0.004 0.000 0.775 307 K CB -1.827 30.672 32.500 -0.001 0.000 1.253 307 K HN 0.329 nan 8.250 nan 0.000 0.486 308 L N 1.342 122.577 121.223 0.020 0.000 2.395 308 L HA 0.149 4.489 4.340 -0.000 0.000 0.269 308 L C 0.966 177.842 176.870 0.010 0.000 1.133 308 L CA 0.517 55.368 54.840 0.019 0.000 0.812 308 L CB 0.763 42.844 42.059 0.037 0.000 1.125 308 L HN 0.048 nan 8.230 nan 0.000 0.452 309 Q N 2.055 121.855 119.800 0.000 0.000 2.257 309 Q HA 0.216 4.556 4.340 -0.000 0.000 0.255 309 Q C -0.708 175.280 176.000 -0.020 0.000 0.920 309 Q CA -0.479 55.319 55.803 -0.008 0.000 0.927 309 Q CB 1.233 29.963 28.738 -0.014 0.000 1.229 309 Q HN 0.524 nan 8.270 nan 0.000 0.433 310 D N 0.450 120.839 120.400 -0.018 0.000 2.697 310 D HA -0.162 4.478 4.640 -0.000 0.000 0.238 310 D C -0.791 175.489 176.300 -0.033 0.000 1.152 310 D CA 0.497 54.479 54.000 -0.029 0.000 0.666 310 D CB -1.612 39.159 40.800 -0.049 0.000 1.037 310 D HN 0.462 nan 8.370 nan 0.000 0.423 311 C N 0.817 120.108 119.300 -0.016 0.000 2.576 311 C HA 0.382 4.842 4.460 -0.000 0.000 0.401 311 C C 1.067 176.053 174.990 -0.007 0.000 1.314 311 C CA 0.068 59.076 59.018 -0.017 0.000 1.855 311 C CB 0.136 27.874 27.740 -0.002 0.000 2.537 311 C HN 0.311 nan 8.230 nan 0.000 0.578 312 T N 6.395 120.938 114.554 -0.018 0.000 2.792 312 T HA 0.617 4.967 4.350 -0.000 0.000 0.280 312 T C -0.340 174.380 174.700 0.033 0.000 0.990 312 T CA -0.328 61.789 62.100 0.028 0.000 0.960 312 T CB 1.126 69.986 68.868 -0.013 0.000 0.939 312 T HN 0.777 nan 8.240 nan 0.000 0.439 313 M N 2.600 122.256 119.600 0.094 0.000 2.591 313 M HA 0.860 5.340 4.480 -0.000 0.000 0.306 313 M C -2.015 174.380 176.300 0.157 0.000 1.190 313 M CA -1.268 54.072 55.300 0.067 0.000 0.889 313 M CB 2.040 34.644 32.600 0.006 0.000 1.728 313 M HN 0.440 nan 8.290 nan 0.000 0.458 314 L N 2.865 124.143 121.223 0.092 0.000 2.365 314 L HA 0.846 5.186 4.340 -0.000 0.000 0.273 314 L C -1.666 175.194 176.870 -0.017 0.000 1.000 314 L CA -0.465 54.398 54.840 0.038 0.000 0.819 314 L CB 2.295 44.363 42.059 0.015 0.000 1.284 314 L HN 0.715 nan 8.230 nan 0.000 0.418 315 V N 4.230 124.115 119.914 -0.048 0.000 2.638 315 V HA 0.568 4.688 4.120 -0.000 0.000 0.306 315 V C -0.781 175.167 176.094 -0.244 0.000 1.052 315 V CA -0.746 61.520 62.300 -0.057 0.000 0.885 315 V CB 1.923 33.808 31.823 0.105 0.000 0.999 315 V HN 0.781 nan 8.190 nan 0.000 0.424 316 N N 3.527 122.044 118.700 -0.305 0.000 2.576 316 N HA 0.457 5.197 4.740 -0.000 0.000 0.269 316 N C 0.630 176.050 175.510 -0.150 0.000 1.058 316 N CA 0.436 53.147 53.050 -0.566 0.000 0.860 316 N CB 2.263 40.239 38.487 -0.852 0.000 1.249 316 N HN 1.041 nan 8.380 nan 0.000 0.525 317 G N 3.216 112.083 108.800 0.111 0.000 2.660 317 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.321 317 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.321 317 G C 0.488 175.261 174.900 -0.213 0.000 1.246 317 G CA 0.920 46.041 45.100 0.035 0.000 1.000 317 G HN 0.703 nan 8.290 nan 0.000 0.550 318 D N 1.369 121.574 120.400 -0.326 0.000 2.340 318 D HA 0.133 4.773 4.640 -0.000 0.000 0.220 318 D C -0.151 176.041 176.300 -0.180 0.000 1.039 318 D CA 0.610 54.278 54.000 -0.553 0.000 0.866 318 D CB 0.006 40.495 40.800 -0.518 0.000 0.913 318 D HN 0.320 nan 8.370 nan 0.000 0.523 319 D N 0.794 121.130 120.400 -0.107 0.000 2.193 319 D HA 0.537 5.177 4.640 -0.000 0.000 0.249 319 D C -0.645 175.630 176.300 -0.042 0.000 1.034 319 D CA -0.476 53.497 54.000 -0.045 0.000 0.902 319 D CB 2.056 42.823 40.800 -0.055 0.000 1.182 319 D HN 0.041 nan 8.370 nan 0.000 0.436 320 L N 2.248 123.473 121.223 0.003 0.000 2.710 320 L HA 0.438 4.777 4.340 -0.000 0.000 0.262 320 L C -1.938 174.911 176.870 -0.036 0.000 0.940 320 L CA -0.612 54.237 54.840 0.015 0.000 0.944 320 L CB 1.516 43.648 42.059 0.122 0.000 1.348 320 L HN 0.201 nan 8.230 nan 0.000 0.425 321 V N 5.481 125.336 119.914 -0.097 0.000 2.815 321 V HA 0.946 5.066 4.120 -0.000 0.000 0.314 321 V C -1.407 174.527 176.094 -0.266 0.000 1.064 321 V CA -0.111 62.075 62.300 -0.190 0.000 0.952 321 V CB 2.278 34.030 31.823 -0.119 0.000 1.020 321 V HN 0.910 nan 8.190 nan 0.000 0.439 322 V N 6.806 126.427 119.914 -0.488 0.000 2.851 322 V HA 0.647 4.767 4.120 -0.000 0.000 0.307 322 V C -1.170 174.719 176.094 -0.342 0.000 1.129 322 V CA -0.387 61.649 62.300 -0.439 0.000 0.932 322 V CB 1.944 33.397 31.823 -0.616 0.000 1.024 322 V HN 0.843 nan 8.190 nan 0.000 0.426 323 I N 6.174 126.657 120.570 -0.145 0.000 2.693 323 I HA 0.920 5.090 4.170 -0.000 0.000 0.303 323 I C -0.147 175.915 176.117 -0.091 0.000 1.025 323 I CA -0.493 60.763 61.300 -0.073 0.000 1.086 323 I CB 2.013 40.008 38.000 -0.008 0.000 1.268 323 I HN 1.088 nan 8.210 nan 0.000 0.440 324 C N 1.040 120.272 119.300 -0.113 0.000 3.167 324 C HA 0.376 4.836 4.460 -0.000 0.000 0.348 324 C C -1.278 173.639 174.990 -0.123 0.000 1.394 324 C CA -1.028 57.933 59.018 -0.096 0.000 1.204 324 C CB 1.423 29.141 27.740 -0.036 0.000 1.467 324 C HN 0.699 nan 8.230 nan 0.000 0.446 325 E N 1.753 121.899 120.200 -0.089 0.000 2.290 325 E HA 0.359 4.709 4.350 -0.000 0.000 0.277 325 E C 0.271 176.848 176.600 -0.039 0.000 1.035 325 E CA 0.463 56.813 56.400 -0.083 0.000 0.873 325 E CB 1.713 31.375 29.700 -0.063 0.000 1.029 325 E HN 0.707 nan 8.360 nan 0.000 0.419 326 S N 1.587 117.276 115.700 -0.018 0.000 2.585 326 S HA 0.328 4.798 4.470 -0.000 0.000 0.273 326 S C 0.489 175.105 174.600 0.027 0.000 1.339 326 S CA 0.189 58.423 58.200 0.056 0.000 1.028 326 S CB 0.701 63.999 63.200 0.163 0.000 0.906 326 S HN 0.537 nan 8.310 nan 0.000 0.528 327 A N 2.593 125.435 122.820 0.038 0.000 2.545 327 A HA 0.660 4.980 4.320 -0.000 0.000 0.263 327 A C 0.791 178.382 177.584 0.011 0.000 1.202 327 A CA 0.301 52.347 52.037 0.014 0.000 0.959 327 A CB -0.567 18.439 19.000 0.010 0.000 1.124 327 A HN 1.889 nan 8.150 nan 0.000 0.543 328 G N -1.536 107.274 108.800 0.017 0.000 2.674 328 G HA2 0.011 3.971 3.960 -0.000 0.000 0.686 328 G HA3 0.011 3.971 3.960 -0.000 0.000 0.686 328 G C 0.337 175.253 174.900 0.027 0.000 1.195 328 G CA -0.171 44.926 45.100 -0.005 0.000 0.776 328 G HN 0.367 nan 8.290 nan 0.000 0.654 329 T N 0.578 115.131 114.554 -0.001 0.000 2.684 329 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 329 T C 2.331 177.062 174.700 0.051 0.000 1.036 329 T CA 2.303 64.432 62.100 0.048 0.000 1.148 329 T CB -0.247 68.615 68.868 -0.010 0.000 0.863 329 T HN 0.667 nan 8.240 nan 0.000 0.436 330 Q N 0.467 120.278 119.800 0.019 0.000 2.135 330 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 330 Q C 2.215 178.222 176.000 0.011 0.000 0.981 330 Q CA 1.256 57.066 55.803 0.012 0.000 0.856 330 Q CB 0.029 28.769 28.738 0.002 0.000 0.902 330 Q HN 0.457 nan 8.270 nan 0.000 0.425 331 E N 0.178 120.387 120.200 0.014 0.000 2.076 331 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 331 E C 1.533 178.137 176.600 0.007 0.000 0.979 331 E CA 1.002 57.407 56.400 0.008 0.000 0.807 331 E CB -0.258 29.447 29.700 0.008 0.000 0.761 331 E HN 0.450 nan 8.360 nan 0.000 0.454 332 D N 1.601 122.017 120.400 0.028 0.000 2.117 332 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 332 D C 1.922 178.200 176.300 -0.037 0.000 0.987 332 D CA 1.657 55.663 54.000 0.010 0.000 0.829 332 D CB -0.398 40.455 40.800 0.087 0.000 0.961 332 D HN 0.174 nan 8.370 nan 0.000 0.460 333 A N 1.126 123.945 122.820 -0.002 0.000 1.908 333 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 333 A C 2.314 179.878 177.584 -0.032 0.000 1.181 333 A CA 2.512 54.537 52.037 -0.021 0.000 0.627 333 A CB -0.789 18.217 19.000 0.009 0.000 0.818 333 A HN 0.255 nan 8.150 nan 0.000 0.445 334 A N -0.326 122.482 122.820 -0.019 0.000 1.873 334 A HA 0.218 4.538 4.320 -0.000 0.000 0.215 334 A C 2.525 180.095 177.584 -0.023 0.000 1.186 334 A CA 2.001 54.028 52.037 -0.017 0.000 0.616 334 A CB -1.062 17.933 19.000 -0.008 0.000 0.823 334 A HN 1.091 nan 8.150 nan 0.000 0.442 335 A N -0.696 122.105 122.820 -0.032 0.000 1.933 335 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 335 A C 2.156 179.710 177.584 -0.050 0.000 1.175 335 A CA 1.664 53.682 52.037 -0.032 0.000 0.628 335 A CB -0.566 18.413 19.000 -0.035 0.000 0.814 335 A HN 0.537 nan 8.150 nan 0.000 0.444 336 L N -0.889 120.257 121.223 -0.128 0.000 2.093 336 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 336 L C 2.516 179.360 176.870 -0.042 0.000 1.085 336 L CA 1.685 56.393 54.840 -0.220 0.000 0.755 336 L CB -0.294 41.537 42.059 -0.381 0.000 0.904 336 L HN 0.375 nan 8.230 nan 0.000 0.435 337 R N -1.036 119.449 120.500 -0.025 0.000 2.120 337 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 337 R C 2.154 178.466 176.300 0.021 0.000 1.123 337 R CA 1.238 57.343 56.100 0.009 0.000 0.975 337 R CB -0.237 30.061 30.300 -0.004 0.000 0.866 337 R HN 0.511 nan 8.270 nan 0.000 0.446 338 A N -0.037 122.794 122.820 0.019 0.000 1.898 338 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 338 A C 1.888 179.481 177.584 0.015 0.000 1.183 338 A CA 0.899 52.939 52.037 0.005 0.000 0.622 338 A CB -0.659 18.342 19.000 0.001 0.000 0.824 338 A HN 0.458 nan 8.150 nan 0.000 0.444 339 F N 1.455 121.344 119.950 -0.103 0.000 2.069 339 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 339 F C 2.415 178.142 175.800 -0.122 0.000 1.113 339 F CA 2.511 60.443 58.000 -0.113 0.000 1.214 339 F CB -0.876 38.054 39.000 -0.116 0.000 0.978 339 F HN 0.200 nan 8.300 nan 0.000 0.474 340 T N 0.352 115.015 114.554 0.181 0.000 2.653 340 T HA -0.290 4.060 4.350 -0.000 0.000 0.268 340 T C 1.754 176.419 174.700 -0.057 0.000 1.035 340 T CA 2.100 64.276 62.100 0.126 0.000 1.154 340 T CB -0.450 68.563 68.868 0.241 0.000 0.862 340 T HN 0.432 nan 8.240 nan 0.000 0.441 341 E N 0.498 120.658 120.200 -0.066 0.000 2.058 341 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 341 E C 2.537 179.001 176.600 -0.227 0.000 0.997 341 E CA 1.123 57.457 56.400 -0.108 0.000 0.801 341 E CB -0.253 29.397 29.700 -0.084 0.000 0.746 341 E HN 0.499 nan 8.360 nan 0.000 0.450 342 A N 1.030 123.654 122.820 -0.326 0.000 1.877 342 A HA -0.211 4.108 4.320 -0.000 0.000 0.216 342 A C 2.144 179.275 177.584 -0.753 0.000 1.186 342 A CA 1.431 53.131 52.037 -0.561 0.000 0.620 342 A CB -0.379 18.324 19.000 -0.494 0.000 0.822 342 A HN 0.147 nan 8.150 nan 0.000 0.443 343 M N -0.068 119.194 119.600 -0.563 0.000 2.108 343 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 343 M C 2.161 178.372 176.300 -0.148 0.000 1.066 343 M CA 2.158 57.258 55.300 -0.333 0.000 1.107 343 M CB -2.046 30.303 32.600 -0.419 0.000 1.356 343 M HN 0.494 nan 8.290 nan 0.000 0.406 344 T N -0.162 114.309 114.554 -0.138 0.000 2.746 344 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 344 T C 1.997 176.633 174.700 -0.107 0.000 1.039 344 T CA 1.124 63.184 62.100 -0.066 0.000 1.142 344 T CB -0.247 68.592 68.868 -0.049 0.000 0.866 344 T HN 0.388 nan 8.240 nan 0.000 0.444 345 R N 0.047 120.405 120.500 -0.237 0.000 2.115 345 R HA -0.035 4.305 4.340 -0.000 0.000 0.230 345 R C 0.978 177.203 176.300 -0.126 0.000 1.111 345 R CA 0.948 56.909 56.100 -0.232 0.000 0.976 345 R CB -0.177 29.917 30.300 -0.343 0.000 0.870 345 R HN 0.451 nan 8.270 nan 0.000 0.445 346 Y N 1.092 121.369 120.300 -0.038 0.000 2.547 346 Y HA 0.084 4.634 4.550 -0.000 0.000 0.325 346 Y C 0.517 176.410 175.900 -0.012 0.000 1.165 346 Y CA -0.829 57.257 58.100 -0.025 0.000 1.300 346 Y CB -0.937 37.542 38.460 0.031 0.000 1.126 346 Y HN 0.002 nan 8.280 nan 0.000 0.513 347 S N -0.412 115.345 115.700 0.094 0.000 3.447 347 S HA -0.165 4.305 4.470 -0.000 0.000 0.371 347 S C 0.275 174.920 174.600 0.075 0.000 0.951 347 S CA 0.468 58.712 58.200 0.073 0.000 1.269 347 S CB -1.767 61.472 63.200 0.066 0.000 0.919 347 S HN 0.776 nan 8.310 nan 0.000 0.516 348 A N 0.629 123.513 122.820 0.107 0.000 3.355 348 A HA 0.656 4.975 4.320 -0.000 0.000 0.290 348 A C -2.105 175.624 177.584 0.241 0.000 0.973 348 A CA -1.251 50.890 52.037 0.174 0.000 0.933 348 A CB 0.834 19.985 19.000 0.252 0.000 1.138 348 A HN 0.494 nan 8.150 nan 0.000 0.490 349 P HA 0.326 nan 4.420 nan 0.000 0.275 349 P C -2.898 174.469 177.300 0.111 0.000 1.228 349 P CA -1.207 61.969 63.100 0.127 0.000 0.786 349 P CB 0.811 32.525 31.700 0.023 0.000 0.927 350 P HA 0.074 nan 4.420 nan 0.000 0.276 350 P C 0.919 178.156 177.300 -0.104 0.000 1.244 350 P CA 0.041 63.043 63.100 -0.163 0.000 0.801 350 P CB 0.656 32.248 31.700 -0.180 0.000 1.006 351 G N 1.632 110.355 108.800 -0.128 0.000 2.679 351 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.214 351 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.214 351 G C -0.129 174.731 174.900 -0.067 0.000 1.315 351 G CA 0.387 45.444 45.100 -0.070 0.000 0.836 351 G HN 0.549 nan 8.290 nan 0.000 0.580 352 D N 1.550 121.907 120.400 -0.072 0.000 2.256 352 D HA 0.369 5.009 4.640 -0.000 0.000 0.240 352 D C -2.632 173.635 176.300 -0.055 0.000 1.062 352 D CA -1.276 52.696 54.000 -0.048 0.000 0.832 352 D CB 1.643 42.424 40.800 -0.031 0.000 1.135 352 D HN -0.030 nan 8.370 nan 0.000 0.484 353 P HA 0.009 nan 4.420 nan 0.000 0.261 353 P C -2.177 175.134 177.300 0.017 0.000 1.165 353 P CA -0.462 62.643 63.100 0.009 0.000 0.759 353 P CB -0.189 31.522 31.700 0.018 0.000 0.772 354 P HA 0.167 nan 4.420 nan 0.000 0.274 354 P C -0.830 176.479 177.300 0.015 0.000 1.246 354 P CA -0.097 63.055 63.100 0.087 0.000 0.795 354 P CB 0.846 32.700 31.700 0.256 0.000 1.006 355 Q N 0.580 120.393 119.800 0.022 0.000 2.331 355 Q HA 0.393 4.733 4.340 -0.000 0.000 0.272 355 Q C -2.494 173.498 176.000 -0.014 0.000 1.062 355 Q CA -1.920 53.876 55.803 -0.012 0.000 0.806 355 Q CB 2.370 31.116 28.738 0.013 0.000 1.312 355 Q HN 0.342 nan 8.270 nan 0.000 0.431 356 P HA 0.075 nan 4.420 nan 0.000 0.271 356 P C -0.925 176.243 177.300 -0.220 0.000 1.233 356 P CA -0.145 62.863 63.100 -0.153 0.000 0.764 356 P CB 0.946 32.530 31.700 -0.193 0.000 0.825 357 E N 2.256 122.342 120.200 -0.190 0.000 2.156 357 E HA 0.251 4.601 4.350 -0.000 0.000 0.279 357 E C -0.515 175.964 176.600 -0.201 0.000 0.965 357 E CA -0.390 55.940 56.400 -0.116 0.000 0.789 357 E CB 0.493 30.189 29.700 -0.007 0.000 1.098 357 E HN 0.353 nan 8.360 nan 0.000 0.397 358 Y N 1.068 121.493 120.300 0.208 0.000 2.571 358 Y HA 0.284 4.834 4.550 -0.000 0.000 0.275 358 Y C 0.045 176.166 175.900 0.368 0.000 1.179 358 Y CA -0.300 57.981 58.100 0.302 0.000 1.242 358 Y CB 0.859 39.418 38.460 0.164 0.000 1.126 358 Y HN 0.316 nan 8.280 nan 0.000 0.524 359 D N 0.023 120.570 120.400 0.245 0.000 2.787 359 D HA 0.119 4.758 4.640 -0.000 0.000 0.246 359 D C 0.397 176.416 176.300 -0.468 0.000 1.150 359 D CA -0.303 53.683 54.000 -0.023 0.000 0.864 359 D CB 2.412 43.217 40.800 0.008 0.000 1.481 359 D HN 0.135 nan 8.370 nan 0.000 0.509 360 L N 4.263 124.860 121.223 -1.043 0.000 2.093 360 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 360 L C 1.929 178.462 176.870 -0.561 0.000 1.085 360 L CA 1.959 56.077 54.840 -1.204 0.000 0.755 360 L CB -0.387 40.738 42.059 -1.557 0.000 0.904 360 L HN 0.607 nan 8.230 nan 0.000 0.435 361 E N -0.973 118.995 120.200 -0.385 0.000 2.204 361 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 361 E C 1.951 178.455 176.600 -0.159 0.000 0.989 361 E CA 0.967 57.235 56.400 -0.220 0.000 0.824 361 E CB -0.006 29.613 29.700 -0.135 0.000 0.756 361 E HN 0.428 nan 8.360 nan 0.000 0.477 362 L N 0.926 122.059 121.223 -0.150 0.000 2.179 362 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 362 L C 0.842 177.663 176.870 -0.083 0.000 1.096 362 L CA 0.865 55.654 54.840 -0.085 0.000 0.779 362 L CB -0.390 41.644 42.059 -0.042 0.000 0.922 362 L HN 0.169 nan 8.230 nan 0.000 0.443 363 I N 0.015 120.510 120.570 -0.126 0.000 2.741 363 I HA -0.051 4.119 4.170 -0.000 0.000 0.288 363 I C 0.807 176.878 176.117 -0.077 0.000 1.192 363 I CA 0.451 61.697 61.300 -0.090 0.000 1.426 363 I CB 0.216 38.147 38.000 -0.115 0.000 1.367 363 I HN 0.101 nan 8.210 nan 0.000 0.563 364 T N 4.575 119.105 114.554 -0.040 0.000 2.855 364 T HA 0.586 4.936 4.350 -0.000 0.000 0.281 364 T C -0.643 174.047 174.700 -0.017 0.000 1.007 364 T CA -0.468 61.616 62.100 -0.028 0.000 1.009 364 T CB 1.320 70.179 68.868 -0.015 0.000 0.983 364 T HN 0.586 nan 8.240 nan 0.000 0.455 365 S N 2.675 118.368 115.700 -0.012 0.000 2.616 365 S HA 0.368 4.838 4.470 -0.000 0.000 0.276 365 S C -0.286 174.313 174.600 -0.002 0.000 1.159 365 S CA -0.384 57.805 58.200 -0.018 0.000 1.000 365 S CB -0.147 63.027 63.200 -0.043 0.000 1.117 365 S HN 1.260 nan 8.310 nan 0.000 0.464 366 C N 3.849 123.147 119.300 -0.002 0.000 4.056 366 C HA -0.155 4.305 4.460 -0.000 0.000 0.302 366 C C 1.231 176.267 174.990 0.076 0.000 1.356 366 C CA 0.941 59.973 59.018 0.023 0.000 2.074 366 C CB -3.143 24.593 27.740 -0.006 0.000 1.328 366 C HN 1.535 nan 8.230 nan 0.000 0.684 367 S N -0.996 114.739 115.700 0.059 0.000 3.473 367 S HA -0.193 4.277 4.470 -0.000 0.000 0.339 367 S C 0.331 174.971 174.600 0.068 0.000 1.148 367 S CA 1.263 59.499 58.200 0.059 0.000 0.969 367 S CB -0.619 62.626 63.200 0.076 0.000 0.936 367 S HN 1.037 nan 8.310 nan 0.000 0.530 368 S N 1.246 116.987 115.700 0.069 0.000 2.651 368 S HA 0.797 5.267 4.470 -0.000 0.000 0.279 368 S C -0.589 174.029 174.600 0.030 0.000 1.148 368 S CA -0.952 57.304 58.200 0.093 0.000 0.837 368 S CB 1.917 65.236 63.200 0.197 0.000 1.138 368 S HN 0.588 nan 8.310 nan 0.000 0.478 369 N N -0.816 117.895 118.700 0.018 0.000 2.708 369 N HA 0.429 5.169 4.740 -0.000 0.000 0.257 369 N C -1.646 173.810 175.510 -0.091 0.000 1.373 369 N CA -0.579 52.440 53.050 -0.052 0.000 0.843 369 N CB 0.893 39.341 38.487 -0.065 0.000 1.503 369 N HN 0.347 nan 8.380 nan 0.000 0.504 370 V N 0.332 120.156 119.914 -0.149 0.000 2.649 370 V HA 0.455 4.575 4.120 -0.000 0.000 0.292 370 V C 0.535 176.495 176.094 -0.224 0.000 1.055 370 V CA -0.097 62.089 62.300 -0.191 0.000 1.023 370 V CB 1.022 32.719 31.823 -0.209 0.000 0.992 370 V HN 0.818 nan 8.190 nan 0.000 0.480 371 S N 2.547 118.013 115.700 -0.390 0.000 2.704 371 S HA 0.839 5.309 4.470 -0.000 0.000 0.296 371 S C -0.995 173.465 174.600 -0.233 0.000 1.138 371 S CA -0.506 57.481 58.200 -0.354 0.000 0.875 371 S CB 2.056 64.976 63.200 -0.468 0.000 1.151 371 S HN 0.437 nan 8.310 nan 0.000 0.500 372 V N 1.231 121.129 119.914 -0.027 0.000 2.769 372 V HA 0.981 5.100 4.120 -0.000 0.000 0.312 372 V C 0.037 176.184 176.094 0.089 0.000 1.061 372 V CA -0.281 62.003 62.300 -0.027 0.000 0.931 372 V CB 1.156 32.909 31.823 -0.117 0.000 1.010 372 V HN 1.106 nan 8.190 nan 0.000 0.433 373 A N 2.501 125.273 122.820 -0.080 0.000 2.581 373 A HA 0.866 5.186 4.320 -0.000 0.000 0.290 373 A C -1.753 175.596 177.584 -0.390 0.000 1.119 373 A CA -0.612 51.301 52.037 -0.206 0.000 0.670 373 A CB 1.548 20.288 19.000 -0.432 0.000 1.280 373 A HN 0.909 nan 8.150 nan 0.000 0.425 374 H N 0.576 119.325 119.070 -0.535 0.000 2.469 374 H HA 0.523 5.079 4.556 -0.000 0.000 0.342 374 H C -0.466 174.519 175.328 -0.573 0.000 1.115 374 H CA -0.075 55.661 56.048 -0.521 0.000 1.204 374 H CB 1.328 30.760 29.762 -0.549 0.000 1.492 374 H HN 0.842 nan 8.280 nan 0.000 0.499 375 D N 0.862 121.172 120.400 -0.151 0.000 2.506 375 D HA 0.351 4.991 4.640 -0.000 0.000 0.272 375 D C 1.347 177.786 176.300 0.233 0.000 1.214 375 D CA -0.393 53.606 54.000 -0.002 0.000 1.067 375 D CB 0.493 41.279 40.800 -0.022 0.000 1.117 375 D HN 0.458 nan 8.370 nan 0.000 0.578 376 A N -0.107 122.823 122.820 0.184 0.000 1.917 376 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 376 A C 1.819 179.473 177.584 0.117 0.000 1.182 376 A CA 2.184 54.306 52.037 0.143 0.000 0.633 376 A CB -1.338 17.709 19.000 0.079 0.000 0.819 376 A HN 0.682 nan 8.150 nan 0.000 0.448 377 S N -1.079 114.680 115.700 0.098 0.000 2.859 377 S HA 0.398 4.867 4.470 -0.000 0.000 0.245 377 S C 1.261 175.916 174.600 0.092 0.000 1.008 377 S CA 0.733 58.975 58.200 0.070 0.000 1.089 377 S CB -0.910 62.317 63.200 0.044 0.000 0.798 377 S HN 1.883 nan 8.310 nan 0.000 0.477 378 G N 1.178 110.075 108.800 0.162 0.000 2.205 378 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.269 378 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.269 378 G C 0.008 175.023 174.900 0.192 0.000 0.977 378 G CA 0.843 46.058 45.100 0.192 0.000 0.652 378 G HN 0.754 nan 8.290 nan 0.000 0.539 379 K N 0.603 121.064 120.400 0.101 0.000 2.156 379 K HA 0.501 4.821 4.320 -0.000 0.000 0.271 379 K C 0.841 177.345 176.600 -0.160 0.000 0.995 379 K CA -0.939 55.348 56.287 -0.000 0.000 0.890 379 K CB 0.685 33.177 32.500 -0.013 0.000 1.073 379 K HN 0.297 nan 8.250 nan 0.000 0.454 380 R N 1.199 121.503 120.500 -0.328 0.000 2.738 380 R HA 0.293 4.633 4.340 -0.000 0.000 0.268 380 R C -0.520 175.505 176.300 -0.459 0.000 1.062 380 R CA -0.454 55.264 56.100 -0.636 0.000 1.158 380 R CB 0.809 30.725 30.300 -0.640 0.000 1.046 380 R HN 0.285 nan 8.270 nan 0.000 0.493 381 V N 1.887 121.480 119.914 -0.535 0.000 3.000 381 V HA 0.248 4.368 4.120 -0.000 0.000 0.300 381 V C -1.678 174.210 176.094 -0.344 0.000 1.251 381 V CA -0.817 61.276 62.300 -0.344 0.000 0.972 381 V CB 2.010 33.717 31.823 -0.195 0.000 1.065 381 V HN 0.564 nan 8.190 nan 0.000 0.431 382 Y N 4.792 125.086 120.300 -0.009 0.000 2.352 382 Y HA 0.747 5.297 4.550 -0.000 0.000 0.339 382 Y C -0.225 175.728 175.900 0.088 0.000 0.992 382 Y CA -0.701 57.399 58.100 -0.000 0.000 1.100 382 Y CB 1.608 40.029 38.460 -0.064 0.000 1.192 382 Y HN 0.686 nan 8.280 nan 0.000 0.458 383 Y N 1.385 121.751 120.300 0.111 0.000 2.553 383 Y HA 0.640 5.190 4.550 -0.000 0.000 0.347 383 Y C -1.739 174.217 175.900 0.093 0.000 1.019 383 Y CA -1.838 56.305 58.100 0.071 0.000 1.032 383 Y CB 1.042 39.517 38.460 0.024 0.000 1.284 383 Y HN 0.476 nan 8.280 nan 0.000 0.466 384 L N 3.614 124.916 121.223 0.132 0.000 2.290 384 L HA 0.497 4.837 4.340 -0.000 0.000 0.284 384 L C -0.204 176.846 176.870 0.299 0.000 1.078 384 L CA 0.690 55.598 54.840 0.112 0.000 0.815 384 L CB 1.089 43.225 42.059 0.129 0.000 1.162 384 L HN 1.122 nan 8.230 nan 0.000 0.435 385 T N 5.814 120.492 114.554 0.206 0.000 2.693 385 T HA 0.625 4.975 4.350 -0.000 0.000 0.278 385 T C -0.864 173.957 174.700 0.201 0.000 0.994 385 T CA -0.560 61.726 62.100 0.309 0.000 1.033 385 T CB 1.909 70.911 68.868 0.222 0.000 1.342 385 T HN 0.739 nan 8.240 nan 0.000 0.538 386 R N 0.672 121.281 120.500 0.182 0.000 2.663 386 R HA 0.270 4.610 4.340 -0.000 0.000 0.267 386 R C -1.880 174.324 176.300 -0.162 0.000 1.038 386 R CA -0.644 55.425 56.100 -0.050 0.000 0.886 386 R CB 1.660 31.759 30.300 -0.334 0.000 1.249 386 R HN 0.765 nan 8.270 nan 0.000 0.463 387 D N 3.590 123.867 120.400 -0.205 0.000 2.417 387 D HA 0.059 4.699 4.640 -0.000 0.000 0.250 387 D C -1.571 174.424 176.300 -0.509 0.000 1.166 387 D CA -1.447 52.389 54.000 -0.272 0.000 0.881 387 D CB 1.439 42.145 40.800 -0.158 0.000 1.164 387 D HN 0.231 nan 8.370 nan 0.000 0.467 388 P HA -0.011 nan 4.420 nan 0.000 0.240 388 P C 1.189 178.173 177.300 -0.527 0.000 1.190 388 P CA 0.202 62.681 63.100 -1.036 0.000 0.781 388 P CB 0.295 31.263 31.700 -1.220 0.000 0.931 389 T N 0.371 114.737 114.554 -0.313 0.000 2.531 389 T HA -0.210 4.140 4.350 -0.000 0.000 0.261 389 T C 1.811 176.437 174.700 -0.124 0.000 1.141 389 T CA 2.823 64.827 62.100 -0.160 0.000 1.176 389 T CB -1.438 67.379 68.868 -0.086 0.000 0.863 389 T HN 0.187 nan 8.240 nan 0.000 0.424 390 T N 2.372 116.860 114.554 -0.110 0.000 2.674 390 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 390 T C -0.520 174.126 174.700 -0.091 0.000 1.039 390 T CA 1.470 63.531 62.100 -0.066 0.000 1.150 390 T CB -1.267 67.594 68.868 -0.012 0.000 0.864 390 T HN 0.335 nan 8.240 nan 0.000 0.427 391 P HA -0.098 nan 4.420 nan 0.000 0.217 391 P C 1.588 178.896 177.300 0.013 0.000 1.162 391 P CA 1.147 64.218 63.100 -0.048 0.000 0.901 391 P CB -0.245 31.348 31.700 -0.179 0.000 0.793 392 L N -1.381 119.804 121.223 -0.065 0.000 2.046 392 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 392 L C 2.507 179.393 176.870 0.027 0.000 1.077 392 L CA 1.609 56.438 54.840 -0.019 0.000 0.747 392 L CB -1.242 40.772 42.059 -0.073 0.000 0.896 392 L HN -0.047 nan 8.230 nan 0.000 0.432 393 A N 0.192 123.021 122.820 0.014 0.000 1.978 393 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 393 A C 2.363 180.001 177.584 0.090 0.000 1.170 393 A CA 1.557 53.624 52.037 0.049 0.000 0.636 393 A CB -0.419 18.585 19.000 0.008 0.000 0.810 393 A HN 0.400 nan 8.150 nan 0.000 0.448 394 R N -0.896 119.646 120.500 0.070 0.000 2.100 394 R HA 0.152 4.492 4.340 -0.000 0.000 0.220 394 R C 2.492 178.966 176.300 0.290 0.000 1.091 394 R CA 0.912 57.089 56.100 0.128 0.000 0.986 394 R CB -0.517 29.811 30.300 0.046 0.000 0.888 394 R HN 0.451 nan 8.270 nan 0.000 0.444 395 A N 2.071 125.073 122.820 0.302 0.000 1.917 395 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 395 A C 2.444 180.203 177.584 0.291 0.000 1.182 395 A CA 1.971 54.276 52.037 0.447 0.000 0.633 395 A CB -0.622 18.585 19.000 0.344 0.000 0.819 395 A HN 0.379 nan 8.150 nan 0.000 0.448 396 A N -1.603 121.308 122.820 0.151 0.000 1.898 396 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 396 A C 2.107 179.802 177.584 0.186 0.000 1.181 396 A CA 1.318 53.415 52.037 0.099 0.000 0.620 396 A CB -0.830 18.223 19.000 0.089 0.000 0.819 396 A HN 0.834 nan 8.150 nan 0.000 0.442 397 W N 1.129 122.477 121.300 0.081 0.000 2.354 397 W HA -0.171 4.489 4.660 -0.000 0.000 0.315 397 W C 1.689 178.277 176.519 0.115 0.000 1.206 397 W CA 2.028 59.422 57.345 0.081 0.000 1.290 397 W CB -0.365 29.126 29.460 0.052 0.000 1.152 397 W HN 0.558 nan 8.180 nan 0.000 0.489 398 E N -0.723 119.741 120.200 0.441 0.000 2.338 398 E HA -0.143 4.206 4.350 -0.000 0.000 0.197 398 E C 1.909 178.666 176.600 0.261 0.000 1.007 398 E CA 1.584 58.206 56.400 0.370 0.000 0.849 398 E CB -0.224 29.768 29.700 0.487 0.000 0.774 398 E HN 0.130 nan 8.360 nan 0.000 0.506 399 T N 0.341 115.044 114.554 0.248 0.000 2.896 399 T HA -0.005 4.345 4.350 -0.000 0.000 0.263 399 T C 1.801 176.517 174.700 0.027 0.000 1.050 399 T CA 0.990 63.183 62.100 0.156 0.000 1.140 399 T CB 0.043 68.982 68.868 0.118 0.000 0.877 399 T HN 0.254 nan 8.240 nan 0.000 0.457 400 A N 1.890 124.684 122.820 -0.044 0.000 1.878 400 A HA 0.214 4.534 4.320 -0.000 0.000 0.215 400 A C 1.040 178.520 177.584 -0.173 0.000 1.310 400 A CA 0.213 52.163 52.037 -0.145 0.000 0.612 400 A CB 0.006 18.851 19.000 -0.258 0.000 0.989 400 A HN 0.155 nan 8.150 nan 0.000 0.472 401 R N 1.544 121.841 120.500 -0.338 0.000 2.242 401 R HA 0.169 4.509 4.340 -0.000 0.000 0.334 401 R C -0.671 175.657 176.300 0.047 0.000 1.071 401 R CA -0.293 55.673 56.100 -0.223 0.000 0.922 401 R CB -0.443 29.561 30.300 -0.494 0.000 1.023 401 R HN 0.510 nan 8.270 nan 0.000 0.458 402 H N 1.386 120.477 119.070 0.035 0.000 3.070 402 H HA 0.006 4.562 4.556 -0.000 0.000 0.313 402 H C -0.279 175.121 175.328 0.121 0.000 0.997 402 H CA 0.946 57.050 56.048 0.093 0.000 1.438 402 H CB 0.638 30.438 29.762 0.064 0.000 1.455 402 H HN 0.362 nan 8.280 nan 0.000 0.575 403 T N 5.586 120.384 114.554 0.406 0.000 2.908 403 T HA 0.278 4.628 4.350 -0.000 0.000 0.290 403 T C -1.336 173.496 174.700 0.220 0.000 1.034 403 T CA -1.742 60.528 62.100 0.283 0.000 1.010 403 T CB 1.175 70.211 68.868 0.281 0.000 1.068 403 T HN 0.479 nan 8.240 nan 0.000 0.481 404 P HA 0.091 nan 4.420 nan 0.000 0.216 404 P C 0.503 177.867 177.300 0.107 0.000 1.150 404 P CA 0.890 64.037 63.100 0.079 0.000 0.837 404 P CB 0.098 31.820 31.700 0.036 0.000 0.786 405 I N -1.819 118.798 120.570 0.078 0.000 2.569 405 I HA 0.392 4.562 4.170 -0.000 0.000 0.290 405 I C -1.494 174.621 176.117 -0.003 0.000 1.088 405 I CA -1.054 60.264 61.300 0.030 0.000 1.047 405 I CB 2.275 40.283 38.000 0.014 0.000 1.237 405 I HN -0.329 nan 8.210 nan 0.000 0.421 406 N N 5.896 124.528 118.700 -0.113 0.000 2.678 406 N HA 0.112 4.852 4.740 -0.000 0.000 0.231 406 N C 1.048 176.333 175.510 -0.375 0.000 1.038 406 N CA -0.010 52.884 53.050 -0.259 0.000 0.932 406 N CB 1.620 39.765 38.487 -0.569 0.000 1.176 406 N HN 0.813 nan 8.380 nan 0.000 0.511 407 S N 1.450 117.078 115.700 -0.119 0.000 2.400 407 S HA -0.156 4.314 4.470 -0.000 0.000 0.232 407 S C 1.799 176.391 174.600 -0.013 0.000 1.025 407 S CA 0.356 58.529 58.200 -0.044 0.000 0.993 407 S CB -0.539 62.684 63.200 0.039 0.000 0.808 407 S HN 0.797 nan 8.310 nan 0.000 0.478 408 W N 1.336 122.628 121.300 -0.014 0.000 2.325 408 W HA -0.127 4.533 4.660 0.000 0.000 0.299 408 W C 1.629 178.114 176.519 -0.056 0.000 1.215 408 W CA 0.554 57.880 57.345 -0.032 0.000 1.244 408 W CB -1.022 28.268 29.460 -0.283 0.000 1.140 408 W HN 0.329 nan 8.180 nan 0.000 0.523 409 L N 2.770 123.381 121.223 -1.020 0.000 2.056 409 L HA 0.103 4.443 4.340 -0.000 0.000 0.207 409 L C 2.754 179.454 176.870 -0.284 0.000 1.078 409 L CA 2.636 56.939 54.840 -0.894 0.000 0.749 409 L CB -1.446 39.927 42.059 -1.142 0.000 0.901 409 L HN 0.080 nan 8.230 nan 0.000 0.433 410 G N -0.744 107.942 108.800 -0.191 0.000 2.421 410 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 410 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 410 G C 1.494 176.450 174.900 0.093 0.000 1.171 410 G CA 0.724 45.804 45.100 -0.034 0.000 0.775 410 G HN 0.426 nan 8.290 nan 0.000 0.543 411 N N 0.566 119.387 118.700 0.202 0.000 2.166 411 N HA -0.050 4.690 4.740 -0.000 0.000 0.186 411 N C 2.246 177.955 175.510 0.331 0.000 1.019 411 N CA 0.755 54.061 53.050 0.427 0.000 0.856 411 N CB -0.150 38.661 38.487 0.540 0.000 0.993 411 N HN 0.349 nan 8.380 nan 0.000 0.426 412 I N 1.026 121.735 120.570 0.232 0.000 2.142 412 I HA -0.256 3.914 4.170 -0.000 0.000 0.240 412 I C 2.081 178.255 176.117 0.095 0.000 1.078 412 I CA 0.996 62.399 61.300 0.173 0.000 1.343 412 I CB -0.203 37.943 38.000 0.243 0.000 1.046 412 I HN 0.022 nan 8.210 nan 0.000 0.405 413 I N -0.014 120.614 120.570 0.096 0.000 2.127 413 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 413 I C 2.596 178.782 176.117 0.114 0.000 1.075 413 I CA 1.409 62.775 61.300 0.110 0.000 1.334 413 I CB -0.304 37.768 38.000 0.120 0.000 1.040 413 I HN 0.229 nan 8.210 nan 0.000 0.405 414 M N -0.637 118.970 119.600 0.011 0.000 2.132 414 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 414 M C 1.103 177.172 176.300 -0.385 0.000 1.065 414 M CA 1.819 56.998 55.300 -0.201 0.000 1.122 414 M CB -0.767 31.607 32.600 -0.378 0.000 1.365 414 M HN 0.202 nan 8.290 nan 0.000 0.411 415 Y N -0.412 119.887 120.300 -0.001 0.000 2.774 415 Y HA 0.471 5.021 4.550 -0.000 0.000 0.305 415 Y C 1.730 177.389 175.900 -0.403 0.000 1.067 415 Y CA -0.350 57.626 58.100 -0.207 0.000 1.304 415 Y CB -1.029 37.218 38.460 -0.355 0.000 1.209 415 Y HN 0.151 nan 8.280 nan 0.000 0.543 416 A N 1.129 123.754 122.820 -0.325 0.000 1.948 416 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 416 A C -0.363 176.932 177.584 -0.481 0.000 1.177 416 A CA 1.647 53.444 52.037 -0.400 0.000 0.636 416 A CB -1.321 17.401 19.000 -0.464 0.000 0.815 416 A HN 0.305 nan 8.150 nan 0.000 0.449 417 P HA 0.035 nan 4.420 nan 0.000 0.236 417 P C 0.445 177.459 177.300 -0.476 0.000 1.177 417 P CA 1.135 63.939 63.100 -0.494 0.000 0.773 417 P CB -0.603 30.811 31.700 -0.476 0.000 0.878 418 T N -1.639 112.638 114.554 -0.461 0.000 2.799 418 T HA 0.113 4.463 4.350 -0.000 0.000 0.296 418 T C 1.215 175.492 174.700 -0.704 0.000 0.947 418 T CA -0.587 61.175 62.100 -0.563 0.000 1.141 418 T CB 0.374 68.640 68.868 -1.003 0.000 0.891 418 T HN -0.173 nan 8.240 nan 0.000 0.533 419 L N 4.104 124.860 121.223 -0.779 0.000 2.125 419 L HA -0.239 4.101 4.340 -0.000 0.000 0.234 419 L C 2.318 178.878 176.870 -0.516 0.000 1.110 419 L CA 2.709 57.041 54.840 -0.847 0.000 0.832 419 L CB -1.009 40.446 42.059 -1.007 0.000 0.922 419 L HN 0.968 nan 8.230 nan 0.000 0.449 420 W N -1.071 120.033 121.300 -0.328 0.000 2.381 420 W HA -0.038 4.622 4.660 -0.000 0.000 0.301 420 W C 2.140 178.537 176.519 -0.203 0.000 1.205 420 W CA 0.990 58.181 57.345 -0.257 0.000 1.285 420 W CB -1.592 27.754 29.460 -0.190 0.000 1.133 420 W HN 0.394 nan 8.180 nan 0.000 0.521 421 A N 2.103 124.618 122.820 -0.508 0.000 1.883 421 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 421 A C 2.246 179.745 177.584 -0.141 0.000 1.186 421 A CA 2.291 54.150 52.037 -0.297 0.000 0.624 421 A CB -0.965 17.720 19.000 -0.524 0.000 0.822 421 A HN 0.340 nan 8.150 nan 0.000 0.444 422 R N -1.174 119.160 120.500 -0.278 0.000 2.081 422 R HA -0.017 4.323 4.340 -0.000 0.000 0.235 422 R C 2.272 178.482 176.300 -0.149 0.000 1.131 422 R CA 1.759 57.729 56.100 -0.217 0.000 0.960 422 R CB -0.339 29.698 30.300 -0.438 0.000 0.856 422 R HN 0.533 nan 8.270 nan 0.000 0.436 423 M N -0.556 118.810 119.600 -0.391 0.000 2.287 423 M HA 0.013 4.493 4.480 -0.000 0.000 0.266 423 M C 1.703 177.908 176.300 -0.157 0.000 1.079 423 M CA 1.330 56.430 55.300 -0.334 0.000 1.146 423 M CB 0.154 32.451 32.600 -0.504 0.000 1.374 423 M HN 0.073 nan 8.290 nan 0.000 0.435 424 I N -0.940 119.394 120.570 -0.394 0.000 3.325 424 I HA -0.077 4.093 4.170 -0.000 0.000 0.237 424 I C 1.874 177.829 176.117 -0.270 0.000 1.068 424 I CA 0.157 60.970 61.300 -0.812 0.000 1.511 424 I CB -0.527 36.933 38.000 -0.900 0.000 1.409 424 I HN -0.001 nan 8.210 nan 0.000 0.464 425 L N 0.399 121.614 121.223 -0.013 0.000 2.010 425 L HA -0.286 4.054 4.340 -0.000 0.000 0.219 425 L C 2.541 179.654 176.870 0.406 0.000 1.077 425 L CA 2.249 57.248 54.840 0.266 0.000 0.773 425 L CB -0.794 41.502 42.059 0.394 0.000 0.892 425 L HN 0.244 nan 8.230 nan 0.000 0.436 426 M N -2.016 117.823 119.600 0.398 0.000 2.066 426 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 426 M C 2.218 178.983 176.300 0.776 0.000 1.074 426 M CA 2.245 57.900 55.300 0.591 0.000 1.114 426 M CB -1.057 31.779 32.600 0.395 0.000 1.306 426 M HN 0.247 nan 8.290 nan 0.000 0.411 427 T N -0.387 114.648 114.554 0.801 0.000 2.624 427 T HA -0.294 4.056 4.350 -0.000 0.000 0.266 427 T C 1.757 176.684 174.700 0.379 0.000 1.050 427 T CA 2.127 64.591 62.100 0.607 0.000 1.163 427 T CB -0.849 68.361 68.868 0.570 0.000 0.861 427 T HN 0.458 nan 8.240 nan 0.000 0.443 428 H N -0.223 118.948 119.070 0.167 0.000 2.326 428 H HA -0.034 4.521 4.556 -0.000 0.000 0.301 428 H C 2.130 177.359 175.328 -0.165 0.000 1.081 428 H CA 1.557 57.592 56.048 -0.022 0.000 1.334 428 H CB -0.319 29.263 29.762 -0.300 0.000 1.385 428 H HN 0.397 nan 8.280 nan 0.000 0.504 429 F N -0.280 119.634 119.950 -0.060 0.000 2.234 429 F HA -0.023 4.504 4.527 0.000 0.000 0.296 429 F C 2.427 178.085 175.800 -0.237 0.000 1.089 429 F CA 0.423 58.195 58.000 -0.381 0.000 1.343 429 F CB -0.731 37.725 39.000 -0.906 0.000 1.040 429 F HN 0.066 nan 8.300 nan 0.000 0.498 430 F N -0.322 119.748 119.950 0.200 0.000 2.269 430 F HA -0.206 4.321 4.527 -0.000 0.000 0.301 430 F C 2.734 178.574 175.800 0.066 0.000 1.082 430 F CA 1.483 59.601 58.000 0.197 0.000 1.360 430 F CB -0.953 38.262 39.000 0.357 0.000 1.041 430 F HN -0.091 nan 8.300 nan 0.000 0.512 431 S N 0.323 116.108 115.700 0.141 0.000 2.353 431 S HA -0.160 4.310 4.470 -0.000 0.000 0.222 431 S C 2.141 176.705 174.600 -0.059 0.000 1.035 431 S CA 1.528 59.725 58.200 -0.006 0.000 1.025 431 S CB -0.314 62.839 63.200 -0.079 0.000 0.902 431 S HN 0.163 nan 8.310 nan 0.000 0.440 432 I N 1.692 122.165 120.570 -0.162 0.000 2.286 432 I HA -0.079 4.091 4.170 -0.000 0.000 0.248 432 I C 2.149 178.243 176.117 -0.038 0.000 1.115 432 I CA 0.901 62.113 61.300 -0.147 0.000 1.392 432 I CB -1.762 36.112 38.000 -0.210 0.000 1.065 432 I HN 0.305 nan 8.210 nan 0.000 0.418 433 L N -0.162 121.059 121.223 -0.003 0.000 2.027 433 L HA -0.132 4.207 4.340 -0.000 0.000 0.206 433 L C 2.483 179.392 176.870 0.066 0.000 1.074 433 L CA 1.287 56.151 54.840 0.039 0.000 0.745 433 L CB -1.562 40.513 42.059 0.026 0.000 0.898 433 L HN 0.127 nan 8.230 nan 0.000 0.433 434 L N -0.030 121.248 121.223 0.091 0.000 1.991 434 L HA -0.285 4.055 4.340 -0.000 0.000 0.221 434 L C 2.612 179.508 176.870 0.043 0.000 1.079 434 L CA 2.328 57.218 54.840 0.083 0.000 0.778 434 L CB -1.228 40.878 42.059 0.077 0.000 0.893 434 L HN 0.297 nan 8.230 nan 0.000 0.437 435 A N -1.743 121.088 122.820 0.017 0.000 1.940 435 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 435 A C 2.063 179.656 177.584 0.016 0.000 1.176 435 A CA 1.946 53.986 52.037 0.005 0.000 0.631 435 A CB -0.501 18.490 19.000 -0.016 0.000 0.814 435 A HN 0.675 nan 8.150 nan 0.000 0.446 436 Q N -0.919 118.896 119.800 0.024 0.000 2.360 436 Q HA 0.091 4.430 4.340 -0.000 0.000 0.202 436 Q C -0.624 175.405 176.000 0.048 0.000 0.915 436 Q CA -0.108 55.716 55.803 0.035 0.000 0.943 436 Q CB 0.396 29.158 28.738 0.041 0.000 1.064 436 Q HN 0.491 nan 8.270 nan 0.000 0.511 437 E N 1.266 121.497 120.200 0.051 0.000 2.222 437 E HA -0.225 4.124 4.350 -0.000 0.000 0.189 437 E C -0.382 176.260 176.600 0.070 0.000 1.415 437 E CA 0.604 57.040 56.400 0.061 0.000 0.689 437 E CB -0.708 29.023 29.700 0.050 0.000 1.107 437 E HN 0.488 nan 8.360 nan 0.000 0.350 438 Q N -0.025 119.823 119.800 0.079 0.000 2.141 438 Q HA 0.122 4.462 4.340 -0.000 0.000 0.248 438 Q C 1.508 177.566 176.000 0.096 0.000 0.834 438 Q CA -0.373 55.483 55.803 0.089 0.000 1.096 438 Q CB 0.614 29.409 28.738 0.095 0.000 1.189 438 Q HN 0.248 nan 8.270 nan 0.000 0.471 439 L N -0.037 121.249 121.223 0.104 0.000 2.068 439 L HA -0.065 4.275 4.340 -0.000 0.000 0.204 439 L C 1.754 178.694 176.870 0.118 0.000 1.076 439 L CA 1.637 56.554 54.840 0.128 0.000 0.753 439 L CB -0.818 41.341 42.059 0.166 0.000 0.910 439 L HN 0.209 nan 8.230 nan 0.000 0.439 440 E N 0.175 120.436 120.200 0.102 0.000 2.110 440 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 440 E C 1.068 177.719 176.600 0.085 0.000 0.988 440 E CA 0.460 56.913 56.400 0.089 0.000 0.804 440 E CB -0.133 29.612 29.700 0.074 0.000 0.745 440 E HN 0.171 nan 8.360 nan 0.000 0.458 441 K N 1.645 122.098 120.400 0.087 0.000 2.319 441 K HA 0.077 4.397 4.320 -0.000 0.000 0.277 441 K C -0.462 176.192 176.600 0.091 0.000 1.111 441 K CA -0.222 56.119 56.287 0.089 0.000 1.093 441 K CB -0.035 32.525 32.500 0.100 0.000 0.910 441 K HN 0.066 nan 8.250 nan 0.000 0.452 442 A N 4.684 127.552 122.820 0.080 0.000 2.492 442 A HA 0.270 4.590 4.320 -0.000 0.000 0.236 442 A C -0.266 177.362 177.584 0.073 0.000 1.078 442 A CA 0.058 52.138 52.037 0.072 0.000 0.773 442 A CB 0.301 19.342 19.000 0.070 0.000 1.023 442 A HN 0.771 nan 8.150 nan 0.000 0.504 443 L N 1.277 122.527 121.223 0.045 0.000 2.431 443 L HA 0.322 4.662 4.340 -0.000 0.000 0.266 443 L C -0.975 175.893 176.870 -0.004 0.000 0.978 443 L CA -0.959 53.898 54.840 0.028 0.000 0.822 443 L CB 2.148 44.190 42.059 -0.029 0.000 1.310 443 L HN 0.646 nan 8.230 nan 0.000 0.409 444 D N 1.713 122.131 120.400 0.029 0.000 2.341 444 D HA 0.477 5.117 4.640 -0.000 0.000 0.245 444 D C -0.185 176.083 176.300 -0.054 0.000 1.106 444 D CA 0.194 54.210 54.000 0.025 0.000 0.905 444 D CB 1.741 42.592 40.800 0.085 0.000 1.202 444 D HN 0.685 nan 8.370 nan 0.000 0.426 445 C N 0.508 119.772 119.300 -0.060 0.000 3.216 445 C HA 0.631 5.091 4.460 -0.000 0.000 0.346 445 C C -1.985 172.978 174.990 -0.044 0.000 1.384 445 C CA -0.868 58.091 59.018 -0.098 0.000 1.208 445 C CB 1.206 28.814 27.740 -0.220 0.000 1.483 445 C HN 0.751 nan 8.230 nan 0.000 0.453 446 Q N 1.361 121.143 119.800 -0.030 0.000 2.289 446 Q HA 0.806 5.146 4.340 -0.000 0.000 0.270 446 Q C -1.899 174.126 176.000 0.043 0.000 1.038 446 Q CA -0.645 55.174 55.803 0.027 0.000 0.812 446 Q CB 1.804 30.558 28.738 0.026 0.000 1.300 446 Q HN 0.825 nan 8.270 nan 0.000 0.427 447 I N 3.767 124.373 120.570 0.061 0.000 2.406 447 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 447 I C -0.786 175.443 176.117 0.186 0.000 0.999 447 I CA -1.117 60.187 61.300 0.006 0.000 1.124 447 I CB 1.161 38.937 38.000 -0.374 0.000 1.289 447 I HN 0.702 nan 8.210 nan 0.000 0.441 448 Y N 5.741 126.133 120.300 0.153 0.000 3.001 448 Y HA -0.265 4.285 4.550 -0.000 0.000 0.207 448 Y C 1.457 177.385 175.900 0.046 0.000 1.231 448 Y CA 0.967 59.166 58.100 0.164 0.000 1.024 448 Y CB -1.954 36.634 38.460 0.213 0.000 1.267 448 Y HN 1.007 nan 8.280 nan 0.000 0.501 449 G N -1.836 107.087 108.800 0.205 0.000 2.550 449 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.233 449 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.233 449 G C 0.842 175.812 174.900 0.117 0.000 1.170 449 G CA 0.699 45.874 45.100 0.124 0.000 0.693 449 G HN 1.544 nan 8.290 nan 0.000 0.512 450 A N -0.865 122.059 122.820 0.173 0.000 2.262 450 A HA 0.611 4.931 4.320 -0.000 0.000 0.273 450 A C 0.732 178.261 177.584 -0.092 0.000 1.202 450 A CA 0.953 52.974 52.037 -0.027 0.000 0.811 450 A CB 0.619 19.621 19.000 0.004 0.000 1.159 450 A HN 2.098 nan 8.150 nan 0.000 0.505 451 C N -0.887 118.164 119.300 -0.416 0.000 2.705 451 C HA 0.682 5.142 4.460 -0.000 0.000 0.369 451 C C -1.961 172.677 174.990 -0.588 0.000 1.069 451 C CA -0.808 58.040 59.018 -0.283 0.000 1.260 451 C CB -0.874 26.788 27.740 -0.130 0.000 1.764 451 C HN 0.624 nan 8.230 nan 0.000 0.469 452 Y N 2.837 122.914 120.300 -0.371 0.000 2.429 452 Y HA 0.633 5.183 4.550 -0.000 0.000 0.342 452 Y C 0.611 176.356 175.900 -0.258 0.000 1.004 452 Y CA -0.585 57.243 58.100 -0.455 0.000 1.075 452 Y CB 2.017 40.108 38.460 -0.616 0.000 1.214 452 Y HN 0.596 nan 8.280 nan 0.000 0.455 453 S N 3.485 119.143 115.700 -0.070 0.000 2.429 453 S HA 0.721 5.191 4.470 -0.000 0.000 0.302 453 S C -0.818 173.814 174.600 0.054 0.000 1.115 453 S CA -0.422 57.798 58.200 0.033 0.000 1.095 453 S CB -0.182 63.081 63.200 0.104 0.000 0.987 453 S HN 0.503 nan 8.310 nan 0.000 0.474 454 I N 3.417 124.015 120.570 0.046 0.000 2.569 454 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 454 I C -0.366 175.783 176.117 0.053 0.000 1.088 454 I CA -0.633 60.706 61.300 0.065 0.000 1.047 454 I CB 2.277 40.312 38.000 0.058 0.000 1.237 454 I HN 0.500 nan 8.210 nan 0.000 0.421 455 E N 6.886 127.131 120.200 0.075 0.000 2.289 455 E HA 0.150 4.500 4.350 -0.000 0.000 0.278 455 E C -1.767 174.891 176.600 0.097 0.000 1.032 455 E CA -1.526 54.923 56.400 0.082 0.000 0.854 455 E CB 0.918 30.672 29.700 0.089 0.000 1.046 455 E HN 0.306 nan 8.360 nan 0.000 0.409 456 P HA -0.222 nan 4.420 nan 0.000 0.218 456 P C 0.839 178.303 177.300 0.273 0.000 1.154 456 P CA 1.371 64.541 63.100 0.116 0.000 0.872 456 P CB 0.164 31.870 31.700 0.010 0.000 0.790 457 L N -1.258 120.108 121.223 0.239 0.000 2.622 457 L HA -0.053 4.287 4.340 -0.000 0.000 0.233 457 L C 1.256 178.223 176.870 0.162 0.000 1.156 457 L CA 0.796 55.780 54.840 0.240 0.000 0.866 457 L CB -0.709 41.458 42.059 0.180 0.000 0.980 457 L HN -0.044 nan 8.230 nan 0.000 0.448 458 D N -0.214 120.271 120.400 0.141 0.000 2.355 458 D HA -0.049 4.591 4.640 -0.000 0.000 0.218 458 D C 2.227 178.590 176.300 0.104 0.000 1.004 458 D CA 0.323 54.380 54.000 0.095 0.000 0.880 458 D CB 0.341 41.189 40.800 0.080 0.000 0.911 458 D HN 0.153 nan 8.370 nan 0.000 0.528 459 L N 1.079 122.410 121.223 0.180 0.000 2.042 459 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 459 L C -0.529 176.439 176.870 0.164 0.000 1.076 459 L CA 1.904 56.865 54.840 0.202 0.000 0.749 459 L CB -1.970 40.297 42.059 0.346 0.000 0.893 459 L HN 0.021 nan 8.230 nan 0.000 0.432 460 P HA -0.192 nan 4.420 nan 0.000 0.215 460 P C 1.574 178.892 177.300 0.030 0.000 1.157 460 P CA 1.374 64.491 63.100 0.029 0.000 0.874 460 P CB 0.079 31.661 31.700 -0.196 0.000 0.790 461 Q N -0.803 118.977 119.800 -0.034 0.000 2.046 461 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 461 Q C 2.231 178.202 176.000 -0.048 0.000 0.975 461 Q CA 1.288 57.055 55.803 -0.059 0.000 0.836 461 Q CB -1.010 27.687 28.738 -0.068 0.000 0.896 461 Q HN 0.232 nan 8.270 nan 0.000 0.428 462 I N 0.244 120.788 120.570 -0.042 0.000 2.118 462 I HA -0.321 3.849 4.170 -0.000 0.000 0.241 462 I C 2.068 178.160 176.117 -0.041 0.000 1.070 462 I CA 1.331 62.573 61.300 -0.098 0.000 1.327 462 I CB -0.340 37.631 38.000 -0.048 0.000 1.034 462 I HN 0.193 nan 8.210 nan 0.000 0.405 463 I N 0.435 121.044 120.570 0.066 0.000 2.163 463 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 463 I C 2.655 178.783 176.117 0.018 0.000 1.085 463 I CA 1.717 63.068 61.300 0.084 0.000 1.347 463 I CB -0.474 37.572 38.000 0.076 0.000 1.044 463 I HN 0.305 nan 8.210 nan 0.000 0.408 464 E N 1.093 121.342 120.200 0.082 0.000 2.058 464 E HA -0.327 4.023 4.350 -0.000 0.000 0.194 464 E C 2.328 178.911 176.600 -0.028 0.000 0.997 464 E CA 1.506 57.945 56.400 0.065 0.000 0.801 464 E CB -0.033 29.721 29.700 0.089 0.000 0.746 464 E HN 0.160 nan 8.360 nan 0.000 0.450 465 R N 0.663 121.120 120.500 -0.072 0.000 2.081 465 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 465 R C 2.266 178.474 176.300 -0.153 0.000 1.131 465 R CA 1.542 57.572 56.100 -0.117 0.000 0.960 465 R CB -0.571 29.630 30.300 -0.166 0.000 0.856 465 R HN 0.323 nan 8.270 nan 0.000 0.436 466 L N -1.247 119.858 121.223 -0.196 0.000 2.179 466 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 466 L C 1.815 178.401 176.870 -0.473 0.000 1.096 466 L CA 1.012 55.647 54.840 -0.342 0.000 0.779 466 L CB -0.374 41.434 42.059 -0.418 0.000 0.922 466 L HN 0.348 nan 8.230 nan 0.000 0.443 467 H N -0.936 118.038 119.070 -0.161 0.000 3.058 467 H HA 0.276 4.832 4.556 -0.000 0.000 0.258 467 H C 1.052 176.285 175.328 -0.158 0.000 1.015 467 H CA 0.769 56.711 56.048 -0.176 0.000 1.210 467 H CB 1.086 30.704 29.762 -0.239 0.000 1.481 467 H HN 0.288 nan 8.280 nan 0.000 0.492 468 G N 1.120 109.899 108.800 -0.035 0.000 2.796 468 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.571 468 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.571 468 G C 0.407 175.284 174.900 -0.038 0.000 1.370 468 G CA -0.131 44.957 45.100 -0.020 0.000 0.856 468 G HN 0.139 nan 8.290 nan 0.000 0.538 469 L N 1.399 122.660 121.223 0.063 0.000 2.201 469 L HA 0.027 4.367 4.340 -0.000 0.000 0.212 469 L C 3.208 180.133 176.870 0.092 0.000 1.105 469 L CA 2.775 57.734 54.840 0.199 0.000 0.775 469 L CB -0.714 41.493 42.059 0.247 0.000 0.913 469 L HN 0.995 nan 8.230 nan 0.000 0.440 470 S N -0.814 114.887 115.700 0.002 0.000 2.402 470 S HA -0.251 4.219 4.470 -0.000 0.000 0.233 470 S C 2.171 176.689 174.600 -0.136 0.000 1.030 470 S CA 0.919 59.097 58.200 -0.036 0.000 1.003 470 S CB -0.806 62.366 63.200 -0.046 0.000 0.813 470 S HN 0.395 nan 8.310 nan 0.000 0.477 471 A N 1.047 123.690 122.820 -0.295 0.000 2.024 471 A HA 0.072 4.392 4.320 -0.000 0.000 0.220 471 A C 1.479 178.801 177.584 -0.437 0.000 1.164 471 A CA 1.142 52.887 52.037 -0.488 0.000 0.643 471 A CB -0.854 17.717 19.000 -0.715 0.000 0.806 471 A HN 0.577 nan 8.150 nan 0.000 0.451 472 F N -0.129 119.836 119.950 0.024 0.000 2.692 472 F HA 0.165 4.691 4.527 -0.000 0.000 0.303 472 F C 1.825 177.683 175.800 0.097 0.000 1.114 472 F CA 0.952 59.002 58.000 0.082 0.000 1.361 472 F CB -0.135 38.954 39.000 0.149 0.000 1.063 472 F HN 0.300 nan 8.300 nan 0.000 0.550 473 T N -4.421 110.231 114.554 0.164 0.000 3.092 473 T HA 0.266 4.616 4.350 -0.000 0.000 0.273 473 T C 0.393 175.179 174.700 0.144 0.000 0.898 473 T CA -0.128 62.070 62.100 0.164 0.000 0.868 473 T CB -0.447 68.511 68.868 0.149 0.000 1.228 473 T HN -0.051 nan 8.240 nan 0.000 0.555 474 L N 3.311 124.520 121.223 -0.024 0.000 2.578 474 L HA 0.214 4.554 4.340 -0.000 0.000 0.279 474 L C 1.488 178.219 176.870 -0.231 0.000 1.227 474 L CA 0.586 55.278 54.840 -0.245 0.000 0.900 474 L CB 0.151 41.912 42.059 -0.497 0.000 1.144 474 L HN 0.598 nan 8.230 nan 0.000 0.496 475 H N -1.602 117.274 119.070 -0.324 0.000 2.312 475 H HA 0.163 4.719 4.556 -0.000 0.000 0.215 475 H C 0.671 175.889 175.328 -0.182 0.000 0.870 475 H CA -0.238 55.712 56.048 -0.164 0.000 0.982 475 H CB 0.211 29.953 29.762 -0.033 0.000 1.330 475 H HN 0.419 nan 8.280 nan 0.000 0.399 476 S N 1.869 117.303 115.700 -0.443 0.000 3.869 476 S HA 0.163 4.633 4.470 -0.000 0.000 0.241 476 S C -1.044 173.482 174.600 -0.123 0.000 1.363 476 S CA -0.491 57.587 58.200 -0.204 0.000 0.894 476 S CB -1.054 61.909 63.200 -0.395 0.000 1.519 476 S HN 0.205 nan 8.310 nan 0.000 0.470 477 Y N 2.120 122.431 120.300 0.018 0.000 2.397 477 Y HA 0.082 4.632 4.550 -0.000 0.000 0.335 477 Y C 1.361 177.307 175.900 0.077 0.000 1.213 477 Y CA -0.500 57.636 58.100 0.059 0.000 1.391 477 Y CB 0.398 38.884 38.460 0.044 0.000 1.293 477 Y HN 0.410 nan 8.280 nan 0.000 0.557 478 S N 3.882 119.744 115.700 0.270 0.000 2.481 478 S HA 0.058 4.528 4.470 -0.000 0.000 0.282 478 S C -2.011 172.675 174.600 0.143 0.000 1.243 478 S CA -1.125 57.176 58.200 0.167 0.000 1.078 478 S CB 0.796 64.076 63.200 0.134 0.000 0.916 478 S HN 0.493 nan 8.310 nan 0.000 0.495 479 P HA -0.207 nan 4.420 nan 0.000 0.219 479 P C 1.875 179.217 177.300 0.070 0.000 1.161 479 P CA 1.970 65.119 63.100 0.082 0.000 0.909 479 P CB -0.400 31.338 31.700 0.063 0.000 0.793 480 G N -0.341 108.496 108.800 0.061 0.000 2.513 480 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 480 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 480 G C 1.630 176.561 174.900 0.052 0.000 1.160 480 G CA 1.473 46.601 45.100 0.047 0.000 0.767 480 G HN 0.340 nan 8.290 nan 0.000 0.571 481 E N 0.539 120.784 120.200 0.075 0.000 2.072 481 E HA -0.054 4.295 4.350 -0.000 0.000 0.191 481 E C 2.415 179.063 176.600 0.079 0.000 0.985 481 E CA 0.843 57.297 56.400 0.091 0.000 0.801 481 E CB -0.404 29.388 29.700 0.153 0.000 0.750 481 E HN 0.510 nan 8.360 nan 0.000 0.452 482 I N 1.133 121.753 120.570 0.083 0.000 2.163 482 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 482 I C 2.237 178.378 176.117 0.039 0.000 1.085 482 I CA 1.508 62.839 61.300 0.052 0.000 1.347 482 I CB -0.434 37.609 38.000 0.072 0.000 1.044 482 I HN 0.236 nan 8.210 nan 0.000 0.408 483 N N 0.070 118.795 118.700 0.042 0.000 2.244 483 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 483 N C 2.026 177.547 175.510 0.019 0.000 1.016 483 N CA 0.553 53.622 53.050 0.031 0.000 0.866 483 N CB -0.081 38.424 38.487 0.031 0.000 0.980 483 N HN 0.315 nan 8.380 nan 0.000 0.430 484 R N 1.488 121.998 120.500 0.016 0.000 2.080 484 R HA -0.105 4.235 4.340 -0.000 0.000 0.236 484 R C 2.144 178.432 176.300 -0.021 0.000 1.137 484 R CA 1.213 57.310 56.100 -0.005 0.000 0.943 484 R CB -0.608 29.688 30.300 -0.006 0.000 0.846 484 R HN 0.033 nan 8.270 nan 0.000 0.431 485 V N 1.222 121.131 119.914 -0.008 0.000 2.287 485 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 485 V C 2.636 178.730 176.094 -0.000 0.000 1.053 485 V CA 1.979 64.269 62.300 -0.017 0.000 1.027 485 V CB -1.088 30.746 31.823 0.019 0.000 0.646 485 V HN 0.476 nan 8.190 nan 0.000 0.447 486 A N 0.288 123.118 122.820 0.017 0.000 1.884 486 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 486 A C 2.484 180.082 177.584 0.024 0.000 1.197 486 A CA 2.779 54.834 52.037 0.030 0.000 0.637 486 A CB -0.964 18.056 19.000 0.033 0.000 0.827 486 A HN 0.561 nan 8.150 nan 0.000 0.450 487 S N -1.293 114.415 115.700 0.013 0.000 2.356 487 S HA -0.230 4.240 4.470 -0.000 0.000 0.223 487 S C 2.034 176.640 174.600 0.009 0.000 1.032 487 S CA 1.239 59.447 58.200 0.012 0.000 1.005 487 S CB -1.131 62.072 63.200 0.004 0.000 0.867 487 S HN 0.765 nan 8.310 nan 0.000 0.449 488 C N 1.728 121.020 119.300 -0.013 0.000 2.411 488 C HA -0.001 4.459 4.460 -0.000 0.000 0.279 488 C C 2.456 177.443 174.990 -0.006 0.000 1.288 488 C CA 0.609 59.609 59.018 -0.029 0.000 1.764 488 C CB -1.676 26.012 27.740 -0.087 0.000 1.974 488 C HN 0.551 nan 8.230 nan 0.000 0.498 489 L N -0.165 121.065 121.223 0.012 0.000 2.044 489 L HA -0.054 4.285 4.340 -0.000 0.000 0.205 489 L C 3.000 179.892 176.870 0.037 0.000 1.075 489 L CA 1.443 56.306 54.840 0.040 0.000 0.747 489 L CB -0.732 41.377 42.059 0.083 0.000 0.903 489 L HN 0.240 nan 8.230 nan 0.000 0.435 490 R N 0.035 120.560 120.500 0.042 0.000 2.081 490 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 490 R C 2.381 178.735 176.300 0.090 0.000 1.131 490 R CA 1.256 57.387 56.100 0.051 0.000 0.960 490 R CB -0.168 30.161 30.300 0.049 0.000 0.856 490 R HN 0.228 nan 8.270 nan 0.000 0.436 491 K N 1.006 121.454 120.400 0.080 0.000 1.987 491 K HA -0.185 4.135 4.320 -0.000 0.000 0.216 491 K C 1.917 178.639 176.600 0.203 0.000 1.051 491 K CA 1.615 57.968 56.287 0.110 0.000 0.942 491 K CB -0.215 32.322 32.500 0.061 0.000 0.722 491 K HN 0.172 nan 8.250 nan 0.000 0.444 492 L N -0.591 120.703 121.223 0.119 0.000 2.376 492 L HA 0.002 4.342 4.340 -0.000 0.000 0.219 492 L C 1.308 178.107 176.870 -0.119 0.000 1.133 492 L CA 0.750 55.654 54.840 0.108 0.000 0.816 492 L CB -0.182 41.903 42.059 0.044 0.000 0.933 492 L HN 0.719 nan 8.230 nan 0.000 0.449 493 G N 0.065 108.706 108.800 -0.265 0.000 2.132 493 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.234 493 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.234 493 G C 0.138 174.905 174.900 -0.221 0.000 0.989 493 G CA -0.021 44.746 45.100 -0.554 0.000 0.676 493 G HN 0.094 nan 8.290 nan 0.000 0.522 494 V N 2.736 122.615 119.914 -0.058 0.000 2.508 494 V HA 0.366 4.486 4.120 -0.000 0.000 0.281 494 V C -0.749 175.413 176.094 0.112 0.000 1.041 494 V CA -1.149 61.201 62.300 0.083 0.000 1.016 494 V CB 1.075 32.999 31.823 0.168 0.000 0.984 494 V HN 0.261 nan 8.190 nan 0.000 0.478 495 P HA 0.146 nan 4.420 nan 0.000 0.270 495 P C -2.550 174.793 177.300 0.071 0.000 1.227 495 P CA -1.009 62.063 63.100 -0.045 0.000 0.788 495 P CB -0.364 31.171 31.700 -0.275 0.000 0.926 496 P HA 0.151 nan 4.420 nan 0.000 0.275 496 P C 1.070 178.499 177.300 0.215 0.000 1.266 496 P CA -0.185 62.981 63.100 0.111 0.000 0.793 496 P CB 0.680 32.412 31.700 0.054 0.000 1.074 497 L N 0.025 121.405 121.223 0.261 0.000 2.201 497 L HA -0.116 4.223 4.340 -0.000 0.000 0.212 497 L C 2.830 179.875 176.870 0.292 0.000 1.105 497 L CA 1.200 56.253 54.840 0.355 0.000 0.775 497 L CB -0.621 41.557 42.059 0.197 0.000 0.913 497 L HN 0.439 nan 8.230 nan 0.000 0.440 498 R N -0.687 119.918 120.500 0.174 0.000 2.092 498 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 498 R C 1.868 178.235 176.300 0.112 0.000 1.119 498 R CA 1.738 57.924 56.100 0.144 0.000 0.970 498 R CB -1.265 29.087 30.300 0.088 0.000 0.864 498 R HN 0.147 nan 8.270 nan 0.000 0.440 499 T N 0.943 115.504 114.554 0.013 0.000 2.684 499 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 499 T C 1.379 176.038 174.700 -0.068 0.000 1.036 499 T CA 1.837 63.865 62.100 -0.121 0.000 1.148 499 T CB -0.384 68.283 68.868 -0.335 0.000 0.863 499 T HN 0.475 nan 8.240 nan 0.000 0.436 500 W N 1.786 123.183 121.300 0.161 0.000 2.350 500 W HA -0.044 4.616 4.660 0.000 0.000 0.289 500 W C 2.632 179.348 176.519 0.329 0.000 1.215 500 W CA 0.143 57.625 57.345 0.230 0.000 1.236 500 W CB -0.272 29.325 29.460 0.229 0.000 1.130 500 W HN 0.061 nan 8.180 nan 0.000 0.541 501 R N -0.519 120.288 120.500 0.511 0.000 2.105 501 R HA -0.210 4.130 4.340 -0.000 0.000 0.239 501 R C 1.754 178.170 176.300 0.194 0.000 1.135 501 R CA 1.993 58.339 56.100 0.410 0.000 0.967 501 R CB -1.088 29.411 30.300 0.332 0.000 0.861 501 R HN 0.364 nan 8.270 nan 0.000 0.442 502 H N 0.762 119.879 119.070 0.078 0.000 2.307 502 H HA 0.040 4.596 4.556 0.000 0.000 0.303 502 H C 2.172 177.482 175.328 -0.029 0.000 1.073 502 H CA 1.637 57.683 56.048 -0.004 0.000 1.338 502 H CB 0.094 29.836 29.762 -0.033 0.000 1.389 502 H HN -0.015 nan 8.280 nan 0.000 0.503 503 R N -0.135 120.378 120.500 0.021 0.000 2.103 503 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 503 R C 2.450 178.661 176.300 -0.148 0.000 1.142 503 R CA 1.189 57.260 56.100 -0.047 0.000 0.960 503 R CB -0.491 29.855 30.300 0.077 0.000 0.858 503 R HN 0.417 nan 8.270 nan 0.000 0.439 504 A N 1.057 123.821 122.820 -0.094 0.000 1.972 504 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 504 A C 2.078 179.357 177.584 -0.508 0.000 1.169 504 A CA 1.241 53.047 52.037 -0.384 0.000 0.635 504 A CB -0.317 18.547 19.000 -0.227 0.000 0.810 504 A HN 0.256 nan 8.150 nan 0.000 0.446 505 R N -1.044 119.237 120.500 -0.366 0.000 2.092 505 R HA -0.043 4.297 4.340 -0.000 0.000 0.231 505 R C 2.544 178.651 176.300 -0.322 0.000 1.119 505 R CA 1.338 57.240 56.100 -0.329 0.000 0.970 505 R CB -0.353 29.779 30.300 -0.280 0.000 0.864 505 R HN 0.481 nan 8.270 nan 0.000 0.440 506 S N 0.060 115.548 115.700 -0.352 0.000 2.371 506 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 506 S C 1.951 176.405 174.600 -0.243 0.000 1.029 506 S CA 0.782 58.816 58.200 -0.277 0.000 0.978 506 S CB 0.018 63.059 63.200 -0.267 0.000 0.833 506 S HN 0.078 nan 8.310 nan 0.000 0.466 507 V N 2.074 121.799 119.914 -0.316 0.000 2.407 507 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 507 V C 2.597 178.491 176.094 -0.333 0.000 1.055 507 V CA 1.944 64.041 62.300 -0.338 0.000 1.049 507 V CB -0.661 30.835 31.823 -0.544 0.000 0.662 507 V HN 0.423 nan 8.190 nan 0.000 0.455 508 R N 0.043 120.304 120.500 -0.398 0.000 2.066 508 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 508 R C 2.354 178.573 176.300 -0.135 0.000 1.131 508 R CA 1.660 57.622 56.100 -0.229 0.000 0.955 508 R CB -0.436 29.742 30.300 -0.204 0.000 0.851 508 R HN 0.482 nan 8.270 nan 0.000 0.432 509 A N 1.284 124.017 122.820 -0.145 0.000 1.902 509 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 509 A C 2.012 179.551 177.584 -0.074 0.000 1.181 509 A CA 1.629 53.605 52.037 -0.102 0.000 0.623 509 A CB -0.309 18.627 19.000 -0.107 0.000 0.818 509 A HN 0.331 nan 8.150 nan 0.000 0.443 510 K N -0.404 119.949 120.400 -0.078 0.000 2.103 510 K HA -0.044 4.275 4.320 -0.000 0.000 0.207 510 K C 1.828 178.415 176.600 -0.020 0.000 1.048 510 K CA 1.343 57.603 56.287 -0.045 0.000 0.930 510 K CB -0.353 32.120 32.500 -0.045 0.000 0.716 510 K HN 0.455 nan 8.250 nan 0.000 0.444 511 L N 0.720 121.928 121.223 -0.025 0.000 2.027 511 L HA -0.174 4.165 4.340 -0.000 0.000 0.206 511 L C 2.280 179.147 176.870 -0.004 0.000 1.074 511 L CA 1.005 55.847 54.840 0.005 0.000 0.745 511 L CB -0.337 41.723 42.059 0.002 0.000 0.898 511 L HN 0.196 nan 8.230 nan 0.000 0.433 512 L N -1.125 120.083 121.223 -0.026 0.000 2.012 512 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 512 L C 2.750 179.608 176.870 -0.019 0.000 1.073 512 L CA 1.364 56.187 54.840 -0.028 0.000 0.748 512 L CB -0.642 41.390 42.059 -0.046 0.000 0.891 512 L HN 0.232 nan 8.230 nan 0.000 0.431 513 S N -0.677 115.010 115.700 -0.021 0.000 2.374 513 S HA -0.301 4.169 4.470 -0.000 0.000 0.227 513 S C 1.904 176.503 174.600 -0.002 0.000 1.037 513 S CA 1.463 59.654 58.200 -0.014 0.000 1.024 513 S CB -0.253 62.937 63.200 -0.016 0.000 0.861 513 S HN 0.416 nan 8.310 nan 0.000 0.456 514 Q N 0.104 119.908 119.800 0.007 0.000 2.297 514 Q HA 0.038 4.377 4.340 -0.000 0.000 0.208 514 Q C 1.381 177.393 176.000 0.020 0.000 0.981 514 Q CA 0.621 56.436 55.803 0.019 0.000 0.876 514 Q CB -0.325 28.434 28.738 0.036 0.000 0.921 514 Q HN 0.615 nan 8.270 nan 0.000 0.446 515 G N -1.098 107.710 108.800 0.013 0.000 2.569 515 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.259 515 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.259 515 G C 0.523 175.437 174.900 0.022 0.000 1.263 515 G CA -0.264 44.843 45.100 0.012 0.000 0.928 515 G HN 0.858 nan 8.290 nan 0.000 0.572 516 G N -0.790 108.023 108.800 0.022 0.000 2.661 516 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.327 516 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.327 516 G C 1.258 176.179 174.900 0.035 0.000 1.320 516 G CA 1.801 46.918 45.100 0.028 0.000 0.997 516 G HN 1.423 nan 8.290 nan 0.000 0.543 517 R N 0.480 121.008 120.500 0.046 0.000 2.115 517 R HA 0.166 4.506 4.340 -0.000 0.000 0.226 517 R C 3.136 179.477 176.300 0.068 0.000 1.100 517 R CA 1.461 57.594 56.100 0.056 0.000 0.980 517 R CB -0.486 29.854 30.300 0.067 0.000 0.875 517 R HN 0.581 nan 8.270 nan 0.000 0.445 518 A N 1.558 124.423 122.820 0.074 0.000 1.898 518 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 518 A C 2.401 180.009 177.584 0.039 0.000 1.181 518 A CA 1.567 53.654 52.037 0.083 0.000 0.620 518 A CB -0.509 18.546 19.000 0.090 0.000 0.819 518 A HN 0.351 nan 8.150 nan 0.000 0.442 519 A N -0.501 122.335 122.820 0.026 0.000 1.940 519 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 519 A C 2.288 179.872 177.584 0.001 0.000 1.176 519 A CA 2.403 54.442 52.037 0.004 0.000 0.631 519 A CB -1.427 17.573 19.000 -0.000 0.000 0.814 519 A HN 0.484 nan 8.150 nan 0.000 0.446 520 T N -0.086 114.486 114.554 0.029 0.000 2.635 520 T HA -0.288 4.062 4.350 -0.000 0.000 0.267 520 T C 1.915 176.650 174.700 0.058 0.000 1.040 520 T CA 1.744 63.892 62.100 0.079 0.000 1.156 520 T CB -1.121 67.789 68.868 0.069 0.000 0.863 520 T HN 0.623 nan 8.240 nan 0.000 0.430 521 C N 1.655 120.935 119.300 -0.032 0.000 2.398 521 C HA -0.000 4.460 4.460 -0.000 0.000 0.276 521 C C 3.125 178.042 174.990 -0.121 0.000 1.222 521 C CA 0.239 59.156 59.018 -0.167 0.000 1.746 521 C CB -1.827 25.683 27.740 -0.383 0.000 2.039 521 C HN 0.742 nan 8.230 nan 0.000 0.470 522 G N 0.854 109.634 108.800 -0.033 0.000 2.599 522 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 522 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 522 G C 1.658 176.531 174.900 -0.045 0.000 1.193 522 G CA 1.405 46.522 45.100 0.028 0.000 0.778 522 G HN 0.606 nan 8.290 nan 0.000 0.589 523 R N -0.772 119.653 120.500 -0.126 0.000 2.070 523 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 523 R C 2.508 178.587 176.300 -0.370 0.000 1.138 523 R CA 1.700 57.636 56.100 -0.275 0.000 0.936 523 R CB -0.708 29.342 30.300 -0.416 0.000 0.839 523 R HN 0.516 nan 8.270 nan 0.000 0.429 524 Y N 0.619 120.724 120.300 -0.325 0.000 2.176 524 Y HA -0.050 4.500 4.550 -0.000 0.000 0.291 524 Y C 2.221 177.885 175.900 -0.392 0.000 1.122 524 Y CA 1.036 58.792 58.100 -0.572 0.000 1.128 524 Y CB -0.237 37.573 38.460 -1.083 0.000 1.005 524 Y HN -0.071 nan 8.280 nan 0.000 0.509 525 L N -1.587 119.513 121.223 -0.205 0.000 2.005 525 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 525 L C 0.695 177.361 176.870 -0.340 0.000 1.072 525 L CA 1.297 55.974 54.840 -0.272 0.000 0.744 525 L CB -0.558 41.072 42.059 -0.715 0.000 0.895 525 L HN 0.129 nan 8.230 nan 0.000 0.433 526 F N -0.107 119.785 119.950 -0.097 0.000 2.987 526 F HA 0.148 4.675 4.527 -0.000 0.000 0.302 526 F C 1.331 176.847 175.800 -0.473 0.000 1.221 526 F CA -0.387 57.359 58.000 -0.424 0.000 1.307 526 F CB -0.456 38.319 39.000 -0.376 0.000 1.108 526 F HN 0.002 nan 8.300 nan 0.000 0.521 527 N N 1.027 119.617 118.700 -0.182 0.000 2.336 527 N HA -0.121 4.619 4.740 -0.000 0.000 0.177 527 N C 2.072 177.554 175.510 -0.046 0.000 1.018 527 N CA 1.047 54.036 53.050 -0.102 0.000 0.878 527 N CB -0.145 38.328 38.487 -0.022 0.000 0.997 527 N HN 0.508 nan 8.380 nan 0.000 0.433 528 W N 0.608 121.963 121.300 0.092 0.000 2.350 528 W HA -0.023 4.637 4.660 -0.000 0.000 0.289 528 W C 1.399 177.988 176.519 0.116 0.000 1.215 528 W CA 0.922 58.331 57.345 0.107 0.000 1.236 528 W CB -1.031 28.508 29.460 0.132 0.000 1.130 528 W HN 0.058 nan 8.180 nan 0.000 0.541 529 A N 1.445 123.795 122.820 -0.783 0.000 2.015 529 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 529 A C 1.144 178.588 177.584 -0.234 0.000 1.163 529 A CA 1.723 53.309 52.037 -0.751 0.000 0.646 529 A CB -0.935 17.438 19.000 -1.045 0.000 0.806 529 A HN 0.237 nan 8.150 nan 0.000 0.448 530 V N -2.285 117.527 119.914 -0.171 0.000 2.448 530 V HA 0.468 4.588 4.120 -0.000 0.000 0.295 530 V C 0.848 176.920 176.094 -0.036 0.000 1.025 530 V CA -0.585 61.659 62.300 -0.094 0.000 0.859 530 V CB 1.396 33.149 31.823 -0.116 0.000 0.988 530 V HN 0.522 nan 8.190 nan 0.000 0.431 531 R N 1.595 122.087 120.500 -0.014 0.000 2.280 531 R HA 0.012 4.352 4.340 -0.000 0.000 0.207 531 R C 0.472 176.761 176.300 -0.019 0.000 1.043 531 R CA 0.942 57.041 56.100 -0.002 0.000 1.006 531 R CB -0.614 29.692 30.300 0.010 0.000 0.885 531 R HN 0.663 nan 8.270 nan 0.000 0.467 532 T N 2.091 116.626 114.554 -0.033 0.000 3.820 532 T HA 0.081 4.431 4.350 -0.000 0.000 0.224 532 T C -0.107 174.564 174.700 -0.049 0.000 0.869 532 T CA -0.021 62.055 62.100 -0.040 0.000 0.932 532 T CB -0.081 68.760 68.868 -0.045 0.000 1.259 532 T HN 0.205 nan 8.240 nan 0.000 0.676 533 K N 2.912 123.287 120.400 -0.042 0.000 2.382 533 K HA 0.189 4.509 4.320 -0.000 0.000 0.286 533 K C 0.302 176.867 176.600 -0.058 0.000 1.062 533 K CA -0.662 55.597 56.287 -0.046 0.000 1.000 533 K CB 0.036 32.521 32.500 -0.025 0.000 0.954 533 K HN 0.281 nan 8.250 nan 0.000 0.470 534 L N 1.642 122.816 121.223 -0.082 0.000 2.466 534 L HA 0.398 4.738 4.340 -0.000 0.000 0.257 534 L C 0.099 176.910 176.870 -0.098 0.000 1.189 534 L CA -0.162 54.620 54.840 -0.097 0.000 0.813 534 L CB 0.249 42.230 42.059 -0.131 0.000 1.118 534 L HN 0.374 nan 8.230 nan 0.000 0.471 535 K N 0.769 121.114 120.400 -0.092 0.000 2.110 535 K HA 0.729 5.049 4.320 -0.000 0.000 0.263 535 K C -1.259 175.281 176.600 -0.100 0.000 0.975 535 K CA -0.629 55.617 56.287 -0.068 0.000 0.895 535 K CB 0.930 33.406 32.500 -0.039 0.000 1.060 535 K HN 0.653 nan 8.250 nan 0.000 0.448 536 L N 2.033 123.227 121.223 -0.048 0.000 2.354 536 L HA 0.586 4.925 4.340 -0.000 0.000 0.269 536 L C -0.502 176.427 176.870 0.097 0.000 1.005 536 L CA -0.830 53.995 54.840 -0.026 0.000 0.819 536 L CB 2.162 44.241 42.059 0.034 0.000 1.311 536 L HN 0.803 nan 8.230 nan 0.000 0.423 537 T N -0.986 113.668 114.554 0.166 0.000 2.853 537 T HA 0.486 4.836 4.350 -0.000 0.000 0.311 537 T C -2.916 171.882 174.700 0.163 0.000 1.307 537 T CA -1.845 60.337 62.100 0.137 0.000 1.019 537 T CB 1.479 70.391 68.868 0.074 0.000 1.264 537 T HN 0.196 nan 8.240 nan 0.000 0.497 538 P HA 0.139 nan 4.420 nan 0.000 0.263 538 P C -0.756 176.558 177.300 0.024 0.000 1.162 538 P CA 0.146 63.275 63.100 0.049 0.000 0.758 538 P CB 0.155 31.873 31.700 0.030 0.000 0.773 539 I N 6.239 126.781 120.570 -0.046 0.000 2.307 539 I HA 0.152 4.322 4.170 -0.000 0.000 0.289 539 I C -1.032 175.053 176.117 -0.052 0.000 1.021 539 I CA -2.006 59.243 61.300 -0.085 0.000 1.224 539 I CB 1.743 39.594 38.000 -0.249 0.000 1.376 539 I HN 0.338 nan 8.210 nan 0.000 0.470 540 P HA -0.182 nan 4.420 nan 0.000 0.217 540 P C 1.246 178.532 177.300 -0.023 0.000 1.150 540 P CA 1.122 64.213 63.100 -0.016 0.000 0.832 540 P CB 0.318 32.016 31.700 -0.004 0.000 0.787 541 A N 0.083 122.886 122.820 -0.028 0.000 2.066 541 A HA 0.129 4.449 4.320 -0.000 0.000 0.218 541 A C 2.402 179.962 177.584 -0.040 0.000 1.157 541 A CA 1.453 53.473 52.037 -0.027 0.000 0.670 541 A CB -1.220 17.768 19.000 -0.020 0.000 0.804 541 A HN 0.221 nan 8.150 nan 0.000 0.453 542 A N 0.586 123.371 122.820 -0.057 0.000 1.898 542 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 542 A C 2.424 179.970 177.584 -0.063 0.000 1.181 542 A CA 2.044 54.039 52.037 -0.070 0.000 0.620 542 A CB -1.130 17.820 19.000 -0.085 0.000 0.819 542 A HN 1.101 nan 8.150 nan 0.000 0.442 543 S N -0.295 115.375 115.700 -0.049 0.000 2.432 543 S HA -0.290 4.179 4.470 -0.000 0.000 0.266 543 S C 0.918 175.490 174.600 -0.047 0.000 1.076 543 S CA 1.760 59.935 58.200 -0.041 0.000 1.320 543 S CB -0.679 62.505 63.200 -0.027 0.000 1.222 543 S HN 0.710 nan 8.310 nan 0.000 0.439 544 Q N -0.079 119.697 119.800 -0.040 0.000 2.587 544 Q HA 0.707 5.047 4.340 -0.000 0.000 0.293 544 Q C -0.603 175.375 176.000 -0.037 0.000 1.083 544 Q CA -0.719 55.059 55.803 -0.042 0.000 0.792 544 Q CB 1.709 30.428 28.738 -0.031 0.000 1.484 544 Q HN 0.567 nan 8.270 nan 0.000 0.446 545 L N 0.575 121.777 121.223 -0.035 0.000 3.610 545 L HA -0.152 4.188 4.340 -0.000 0.000 0.425 545 L C -0.542 176.292 176.870 -0.060 0.000 1.254 545 L CA 0.213 55.034 54.840 -0.031 0.000 0.874 545 L CB -1.129 40.918 42.059 -0.021 0.000 1.932 545 L HN 0.745 nan 8.230 nan 0.000 0.790 546 D N 1.032 121.385 120.400 -0.079 0.000 3.118 546 D HA 0.339 4.979 4.640 -0.000 0.000 0.286 546 D C -0.446 175.772 176.300 -0.137 0.000 1.255 546 D CA -0.230 53.690 54.000 -0.134 0.000 0.748 546 D CB 0.430 41.161 40.800 -0.115 0.000 1.332 546 D HN 0.223 nan 8.370 nan 0.000 0.575 547 L N 1.043 122.194 121.223 -0.120 0.000 2.290 547 L HA 0.385 4.725 4.340 -0.000 0.000 0.284 547 L C 0.988 177.771 176.870 -0.144 0.000 1.078 547 L CA -0.052 54.745 54.840 -0.073 0.000 0.815 547 L CB 1.655 43.718 42.059 0.008 0.000 1.162 547 L HN 0.032 nan 8.230 nan 0.000 0.435 548 S N 1.223 116.858 115.700 -0.108 0.000 2.623 548 S HA 0.780 5.250 4.470 -0.000 0.000 0.287 548 S C 0.650 175.319 174.600 0.114 0.000 1.123 548 S CA 0.206 58.344 58.200 -0.104 0.000 1.016 548 S CB 1.273 64.415 63.200 -0.097 0.000 1.233 548 S HN 0.935 nan 8.310 nan 0.000 0.512 549 G N -0.477 108.404 108.800 0.134 0.000 2.145 549 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.176 549 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.176 549 G C 0.051 175.018 174.900 0.112 0.000 1.013 549 G CA 0.242 45.400 45.100 0.097 0.000 0.689 549 G HN 0.520 nan 8.290 nan 0.000 0.506 550 W N -0.367 120.750 121.300 -0.305 0.000 2.735 550 W HA 0.583 5.243 4.660 -0.000 0.000 0.264 550 W C 0.561 176.460 176.519 -1.033 0.000 1.233 550 W CA 0.059 56.977 57.345 -0.712 0.000 1.408 550 W CB 0.256 29.073 29.460 -1.071 0.000 1.038 550 W HN 0.175 nan 8.180 nan 0.000 0.603 551 F N 0.065 120.111 119.950 0.159 0.000 2.552 551 F HA 0.425 4.952 4.527 -0.000 0.000 0.369 551 F C 0.315 176.201 175.800 0.142 0.000 1.112 551 F CA -0.581 57.495 58.000 0.126 0.000 1.129 551 F CB 0.362 39.387 39.000 0.042 0.000 1.360 551 F HN -0.388 nan 8.300 nan 0.000 0.473 552 V N 0.246 120.333 119.914 0.288 0.000 3.474 552 V HA 0.628 4.748 4.120 -0.000 0.000 0.195 552 V C 0.264 176.494 176.094 0.226 0.000 1.431 552 V CA 0.252 62.671 62.300 0.198 0.000 1.268 552 V CB 0.530 32.443 31.823 0.149 0.000 1.195 552 V HN 0.523 nan 8.190 nan 0.000 0.542 553 A N -0.161 122.752 122.820 0.155 0.000 2.572 553 A HA 0.812 5.132 4.320 -0.000 0.000 0.295 553 A C -0.285 176.994 177.584 -0.508 0.000 1.072 553 A CA 0.130 52.104 52.037 -0.105 0.000 0.691 553 A CB 1.495 20.270 19.000 -0.375 0.000 1.291 553 A HN 0.574 nan 8.150 nan 0.000 0.404 554 G N -0.759 107.422 108.800 -1.032 0.000 2.377 554 G HA2 0.538 4.498 3.960 -0.000 0.000 0.299 554 G HA3 0.538 4.498 3.960 -0.000 0.000 0.299 554 G C -0.977 173.313 174.900 -1.016 0.000 1.150 554 G CA -0.106 44.070 45.100 -1.541 0.000 0.847 554 G HN 0.592 nan 8.290 nan 0.000 0.501 555 Y N 0.466 120.583 120.300 -0.304 0.000 2.734 555 Y HA 0.270 4.820 4.550 -0.000 0.000 0.251 555 Y C 0.860 176.707 175.900 -0.089 0.000 1.049 555 Y CA -0.845 57.173 58.100 -0.137 0.000 1.103 555 Y CB 0.547 38.965 38.460 -0.071 0.000 1.201 555 Y HN 0.373 nan 8.280 nan 0.000 0.618 556 S N 0.851 116.553 115.700 0.003 0.000 2.455 556 S HA 0.422 4.892 4.470 -0.000 0.000 0.278 556 S C 1.166 175.800 174.600 0.056 0.000 1.216 556 S CA 0.656 58.880 58.200 0.040 0.000 1.055 556 S CB 0.446 63.671 63.200 0.042 0.000 0.939 556 S HN 0.899 nan 8.310 nan 0.000 0.494 557 G N 2.972 111.804 108.800 0.055 0.000 2.175 557 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 557 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 557 G C 0.760 175.696 174.900 0.060 0.000 0.982 557 G CA 0.032 45.166 45.100 0.057 0.000 0.641 557 G HN 0.926 nan 8.290 nan 0.000 0.527 558 G N -0.214 108.626 108.800 0.067 0.000 2.939 558 G HA2 0.385 4.345 3.960 -0.000 0.000 0.210 558 G HA3 0.385 4.345 3.960 -0.000 0.000 0.210 558 G C 0.514 175.423 174.900 0.014 0.000 1.160 558 G CA 1.158 46.308 45.100 0.082 0.000 0.770 558 G HN 1.183 nan 8.290 nan 0.000 0.543 559 D N -0.471 119.912 120.400 -0.029 0.000 2.699 559 D HA -0.156 4.484 4.640 -0.000 0.000 0.239 559 D C -0.097 176.121 176.300 -0.137 0.000 1.136 559 D CA 0.304 54.258 54.000 -0.077 0.000 0.668 559 D CB -1.125 39.639 40.800 -0.061 0.000 1.060 559 D HN 0.094 nan 8.370 nan 0.000 0.429 560 I N 1.074 121.527 120.570 -0.195 0.000 2.460 560 I HA 0.433 4.602 4.170 -0.000 0.000 0.298 560 I C 0.011 175.879 176.117 -0.416 0.000 0.989 560 I CA -0.738 60.330 61.300 -0.387 0.000 1.173 560 I CB 1.251 38.878 38.000 -0.622 0.000 1.338 560 I HN 0.140 nan 8.210 nan 0.000 0.456 561 Y N 5.516 125.413 120.300 -0.672 0.000 2.421 561 Y HA 0.464 5.014 4.550 -0.000 0.000 0.339 561 Y C -1.094 174.366 175.900 -0.733 0.000 0.996 561 Y CA -0.590 57.138 58.100 -0.621 0.000 1.046 561 Y CB 1.213 39.436 38.460 -0.395 0.000 1.226 561 Y HN 0.496 nan 8.280 nan 0.000 0.445 562 H N 3.905 122.250 119.070 -1.209 0.000 2.505 562 H HA 0.439 4.995 4.556 -0.000 0.000 0.338 562 H C -0.467 174.269 175.328 -0.987 0.000 1.057 562 H CA -0.455 54.994 56.048 -0.998 0.000 1.202 562 H CB 2.215 31.269 29.762 -1.180 0.000 1.466 562 H HN 0.683 nan 8.280 nan 0.000 0.499 563 S N 0.000 115.458 115.700 -0.403 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.075 58.200 -0.209 0.000 1.107 563 S CB 0.000 63.182 63.200 -0.031 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517