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_A 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 XXGRKPARLI 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 AASXXXLSGW 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 0.000 174.580 174.600 -0.033 0.000 1.055 1 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 1 S CB 0.000 63.178 63.200 -0.036 0.000 0.593 2 M N 3.531 123.104 119.600 -0.046 0.000 2.241 2 M HA 0.296 4.780 4.480 0.007 0.000 0.335 2 M C 1.994 178.195 176.300 -0.164 0.000 1.122 2 M CA 0.102 55.363 55.300 -0.065 0.000 1.164 2 M CB 0.980 33.557 32.600 -0.038 0.000 1.459 2 M HN 1.071 nan 8.290 nan 0.000 0.461 3 S N 1.976 117.520 115.700 -0.260 0.000 2.368 3 S HA -0.058 4.417 4.470 0.007 0.000 0.224 3 S C 0.085 174.276 174.600 -0.682 0.000 1.029 3 S CA 0.862 58.778 58.200 -0.474 0.000 0.988 3 S CB -0.095 62.732 63.200 -0.622 0.000 0.838 3 S HN 0.625 nan 8.310 nan 0.000 0.462 4 Y N 0.256 120.403 120.300 -0.254 0.000 2.504 4 Y HA 0.563 5.114 4.550 0.002 0.000 0.344 4 Y C -0.149 175.429 175.900 -0.537 0.000 1.023 4 Y CA -0.993 56.825 58.100 -0.470 0.000 1.020 4 Y CB 2.072 40.121 38.460 -0.685 0.000 1.282 4 Y HN -0.105 nan 8.280 nan 0.000 0.454 5 T N 1.868 116.162 114.554 -0.432 0.000 2.855 5 T HA 0.429 4.783 4.350 0.007 0.000 0.281 5 T C -1.279 173.090 174.700 -0.552 0.000 1.007 5 T CA -0.727 61.164 62.100 -0.349 0.000 1.009 5 T CB 0.601 69.395 68.868 -0.123 0.000 0.983 5 T HN 0.462 nan 8.240 nan 0.000 0.455 6 W N 1.106 122.463 121.300 0.094 0.000 2.702 6 W HA 0.364 5.026 4.660 0.002 0.000 0.331 6 W C 1.496 178.046 176.519 0.051 0.000 1.049 6 W CA -0.957 56.428 57.345 0.068 0.000 1.230 6 W CB 1.091 30.576 29.460 0.042 0.000 1.408 6 W HN 0.796 nan 8.180 nan 0.000 0.492 7 T N -1.666 113.060 114.554 0.286 0.000 3.023 7 T HA 0.232 4.586 4.350 0.007 0.000 0.266 7 T C 1.531 176.321 174.700 0.149 0.000 1.093 7 T CA 1.162 63.364 62.100 0.170 0.000 1.129 7 T CB -0.108 68.838 68.868 0.130 0.000 0.899 7 T HN 1.151 nan 8.240 nan 0.000 0.491 8 G N 1.261 110.164 108.800 0.172 0.000 2.278 8 G HA2 0.021 3.985 3.960 0.007 0.000 0.210 8 G HA3 0.021 3.985 3.960 0.007 0.000 0.210 8 G C 0.424 175.360 174.900 0.060 0.000 1.000 8 G CA -0.150 45.006 45.100 0.092 0.000 0.635 8 G HN 1.145 nan 8.290 nan 0.000 0.495 9 A N 1.215 124.083 122.820 0.080 0.000 2.561 9 A HA 0.535 4.859 4.320 0.007 0.000 0.234 9 A C 0.519 178.119 177.584 0.027 0.000 1.055 9 A CA 0.468 52.538 52.037 0.055 0.000 0.756 9 A CB 0.213 19.256 19.000 0.072 0.000 0.986 9 A HN 0.913 nan 8.150 nan 0.000 0.505 10 L N 2.013 123.237 121.223 0.003 0.000 2.418 10 L HA 0.288 4.632 4.340 0.007 0.000 0.265 10 L C 0.614 177.471 176.870 -0.021 0.000 1.143 10 L CA -0.067 54.756 54.840 -0.029 0.000 0.809 10 L CB 0.679 42.724 42.059 -0.024 0.000 1.124 10 L HN 0.554 nan 8.230 nan 0.000 0.456 11 I N 2.004 122.541 120.570 -0.055 0.000 2.421 11 I HA 0.115 4.289 4.170 0.007 0.000 0.291 11 I C 0.220 176.332 176.117 -0.009 0.000 1.089 11 I CA -0.154 61.127 61.300 -0.030 0.000 1.354 11 I CB 0.045 38.007 38.000 -0.064 0.000 1.413 11 I HN 0.633 nan 8.210 nan 0.000 0.513 12 T N 4.918 119.479 114.554 0.012 0.000 2.855 12 T HA 0.540 4.895 4.350 0.007 0.000 0.281 12 T C -2.127 172.592 174.700 0.031 0.000 1.007 12 T CA -1.832 60.278 62.100 0.018 0.000 1.009 12 T CB 2.027 70.905 68.868 0.017 0.000 0.983 12 T HN 0.277 nan 8.240 nan 0.000 0.455 13 P HA 0.297 nan 4.420 nan 0.000 0.317 13 P C 0.420 177.746 177.300 0.044 0.000 1.316 13 P CA -0.175 62.950 63.100 0.043 0.000 0.744 13 P CB 0.199 31.924 31.700 0.041 0.000 1.521 14 C N -5.623 113.704 119.300 0.045 0.000 5.104 14 C HA 0.654 5.119 4.460 0.007 0.000 0.453 14 C C 0.986 175.998 174.990 0.036 0.000 1.444 14 C CA 0.237 59.279 59.018 0.039 0.000 2.266 14 C CB -0.603 27.163 27.740 0.044 0.000 3.033 14 C HN 0.647 nan 8.230 nan 0.000 0.539 15 A N 1.424 124.269 122.820 0.042 0.000 2.420 15 A HA 0.897 5.222 4.320 0.007 0.000 0.291 15 A C 0.395 178.006 177.584 0.045 0.000 1.228 15 A CA 0.418 52.480 52.037 0.041 0.000 0.933 15 A CB -0.282 18.745 19.000 0.046 0.000 1.428 15 A HN 1.449 nan 8.150 nan 0.000 0.493 16 A N -0.403 122.446 122.820 0.047 0.000 2.407 16 A HA 0.529 4.853 4.320 0.007 0.000 0.248 16 A C -0.134 177.493 177.584 0.071 0.000 1.082 16 A CA -0.082 51.987 52.037 0.054 0.000 0.785 16 A CB -0.152 18.878 19.000 0.050 0.000 1.020 16 A HN 0.678 nan 8.150 nan 0.000 0.489 17 E N 0.940 121.187 120.200 0.079 0.000 2.199 17 E HA 0.468 4.822 4.350 0.007 0.000 0.269 17 E C -1.382 175.294 176.600 0.128 0.000 0.899 17 E CA -0.609 55.852 56.400 0.101 0.000 0.772 17 E CB 1.657 31.408 29.700 0.085 0.000 1.155 17 E HN 0.669 nan 8.360 nan 0.000 0.408 18 E N 0.688 121.001 120.200 0.188 0.000 2.187 18 E HA 0.208 4.562 4.350 0.007 0.000 0.268 18 E C -0.069 176.721 176.600 0.318 0.000 0.896 18 E CA -0.522 56.023 56.400 0.241 0.000 0.766 18 E CB 1.706 31.569 29.700 0.272 0.000 1.142 18 E HN 0.457 nan 8.360 nan 0.000 0.408 19 S N 2.109 117.981 115.700 0.285 0.000 2.510 19 S HA 0.158 4.633 4.470 0.007 0.000 0.230 19 S C 0.630 175.481 174.600 0.418 0.000 1.066 19 S CA -0.041 58.339 58.200 0.301 0.000 0.941 19 S CB 0.016 63.344 63.200 0.213 0.000 0.829 19 S HN 0.196 nan 8.310 nan 0.000 0.530 20 K N 1.452 122.055 120.400 0.338 0.000 2.237 20 K HA 0.360 4.684 4.320 0.007 0.000 0.270 20 K C -0.689 176.101 176.600 0.316 0.000 1.015 20 K CA -0.500 55.982 56.287 0.324 0.000 0.949 20 K CB 1.112 33.734 32.500 0.204 0.000 0.976 20 K HN 0.247 nan 8.250 nan 0.000 0.472 21 L N 4.302 125.720 121.223 0.325 0.000 2.397 21 L HA 0.201 4.546 4.340 0.007 0.000 0.271 21 L C -2.276 174.538 176.870 -0.094 0.000 1.148 21 L CA -1.082 53.801 54.840 0.072 0.000 0.825 21 L CB 0.338 42.542 42.059 0.242 0.000 1.117 21 L HN 0.444 nan 8.230 nan 0.000 0.456 22 P HA 0.241 nan 4.420 nan 0.000 0.276 22 P C -0.865 176.295 177.300 -0.233 0.000 1.252 22 P CA -0.265 62.703 63.100 -0.220 0.000 0.802 22 P CB 0.649 32.205 31.700 -0.240 0.000 1.035 23 I N 1.323 121.744 120.570 -0.249 0.000 2.316 23 I HA 0.295 4.470 4.170 0.007 0.000 0.286 23 I C -0.585 175.444 176.117 -0.146 0.000 1.107 23 I CA -0.413 60.720 61.300 -0.278 0.000 1.219 23 I CB -0.725 37.060 38.000 -0.358 0.000 1.455 23 I HN 0.248 nan 8.210 nan 0.000 0.498 24 N N 6.819 125.453 118.700 -0.111 0.000 2.362 24 N HA 0.529 5.273 4.740 0.007 0.000 0.298 24 N C -2.044 173.443 175.510 -0.039 0.000 1.048 24 N CA -1.819 51.188 53.050 -0.071 0.000 0.858 24 N CB 1.970 40.412 38.487 -0.075 0.000 1.218 24 N HN 0.152 nan 8.380 nan 0.000 0.488 25 P HA -0.149 nan 4.420 nan 0.000 0.215 25 P C 1.038 178.336 177.300 -0.003 0.000 1.157 25 P CA 1.273 64.363 63.100 -0.016 0.000 0.868 25 P CB 0.211 31.900 31.700 -0.018 0.000 0.788 26 L N -0.208 121.017 121.223 0.003 0.000 1.994 26 L HA -0.161 4.183 4.340 0.007 0.000 0.208 26 L C 2.707 179.632 176.870 0.092 0.000 1.071 26 L CA 2.280 57.139 54.840 0.032 0.000 0.745 26 L CB -1.662 40.403 42.059 0.011 0.000 0.892 26 L HN 0.078 nan 8.230 nan 0.000 0.431 27 S N -0.210 115.523 115.700 0.055 0.000 2.399 27 S HA -0.220 4.254 4.470 0.007 0.000 0.231 27 S C 1.734 176.344 174.600 0.017 0.000 1.022 27 S CA 1.525 59.745 58.200 0.033 0.000 0.983 27 S CB -0.825 62.383 63.200 0.012 0.000 0.803 27 S HN 0.467 nan 8.310 nan 0.000 0.480 28 N N 2.379 121.089 118.700 0.017 0.000 2.223 28 N HA -0.135 4.610 4.740 0.007 0.000 0.185 28 N C 1.686 177.204 175.510 0.013 0.000 1.016 28 N CA 1.631 54.695 53.050 0.024 0.000 0.863 28 N CB -0.445 38.052 38.487 0.017 0.000 0.983 28 N HN 0.632 nan 8.380 nan 0.000 0.429 29 S N -0.991 114.716 115.700 0.013 0.000 2.561 29 S HA -0.028 4.446 4.470 0.007 0.000 0.225 29 S C 1.589 176.195 174.600 0.011 0.000 0.977 29 S CA 0.284 58.478 58.200 -0.011 0.000 0.926 29 S CB -0.111 63.077 63.200 -0.019 0.000 0.769 29 S HN 0.365 nan 8.310 nan 0.000 0.533 30 L N 0.042 121.275 121.223 0.016 0.000 2.316 30 L HA 0.595 4.939 4.340 0.007 0.000 0.207 30 L C 0.102 177.001 176.870 0.049 0.000 1.070 30 L CA 0.776 55.620 54.840 0.007 0.000 0.820 30 L CB 0.251 42.031 42.059 -0.464 0.000 0.992 30 L HN 0.483 nan 8.230 nan 0.000 0.466 31 L N -0.926 120.304 121.223 0.011 0.000 2.562 31 L HA 0.374 4.718 4.340 0.007 0.000 0.266 31 L C 0.198 177.081 176.870 0.021 0.000 0.949 31 L CA -0.570 54.276 54.840 0.011 0.000 0.879 31 L CB 1.460 43.534 42.059 0.025 0.000 1.278 31 L HN -0.121 nan 8.230 nan 0.000 0.404 32 R N 0.720 121.191 120.500 -0.048 0.000 2.064 32 R HA 0.177 4.521 4.340 0.007 0.000 0.221 32 R C 0.191 176.526 176.300 0.059 0.000 1.136 32 R CA 0.988 57.078 56.100 -0.018 0.000 0.980 32 R CB -0.259 29.964 30.300 -0.127 0.000 0.876 32 R HN 0.605 nan 8.270 nan 0.000 0.437 33 H N 1.901 120.989 119.070 0.031 0.000 3.513 33 H HA -0.012 4.548 4.556 0.007 0.000 0.253 33 H C 0.928 176.258 175.328 0.002 0.000 1.514 33 H CA 0.034 56.064 56.048 -0.031 0.000 1.565 33 H CB -0.133 29.622 29.762 -0.010 0.000 1.776 33 H HN 0.475 nan 8.280 nan 0.000 0.562 34 H N 1.352 120.524 119.070 0.171 0.000 2.512 34 H HA -0.025 4.536 4.556 0.007 0.000 0.279 34 H C 0.698 176.119 175.328 0.155 0.000 0.999 34 H CA 0.542 56.673 56.048 0.138 0.000 1.283 34 H CB 0.143 29.961 29.762 0.094 0.000 1.421 34 H HN 0.535 nan 8.280 nan 0.000 0.554 35 N N 0.781 119.467 118.700 -0.023 0.000 2.309 35 N HA -0.051 4.693 4.740 0.007 0.000 0.182 35 N C 1.746 177.345 175.510 0.148 0.000 1.018 35 N CA 1.020 54.125 53.050 0.091 0.000 0.876 35 N CB -0.015 38.455 38.487 -0.028 0.000 0.972 35 N HN 0.304 nan 8.380 nan 0.000 0.434 36 M N 0.476 120.163 119.600 0.145 0.000 2.394 36 M HA -0.001 4.483 4.480 0.007 0.000 0.264 36 M C 0.019 176.485 176.300 0.276 0.000 1.073 36 M CA 0.591 55.999 55.300 0.180 0.000 1.111 36 M CB 0.276 32.969 32.600 0.156 0.000 1.401 36 M HN -0.103 nan 8.290 nan 0.000 0.448 37 V N 1.197 121.282 119.914 0.284 0.000 2.465 37 V HA 0.228 4.353 4.120 0.007 0.000 0.279 37 V C -0.642 175.687 176.094 0.393 0.000 1.045 37 V CA -0.621 61.852 62.300 0.288 0.000 0.938 37 V CB 0.370 32.361 31.823 0.279 0.000 0.986 37 V HN 0.293 nan 8.190 nan 0.000 0.467 38 Y N 2.586 122.990 120.300 0.173 0.000 2.615 38 Y HA 0.912 5.466 4.550 0.007 0.000 0.341 38 Y C -0.403 175.455 175.900 -0.070 0.000 1.089 38 Y CA -1.602 56.582 58.100 0.140 0.000 1.049 38 Y CB 1.612 40.150 38.460 0.129 0.000 1.296 38 Y HN 0.659 nan 8.280 nan 0.000 0.470 39 A N 1.578 124.344 122.820 -0.090 0.000 2.318 39 A HA 0.637 4.962 4.320 0.007 0.000 0.324 39 A C -0.034 177.604 177.584 0.090 0.000 1.170 39 A CA -0.387 51.454 52.037 -0.327 0.000 0.810 39 A CB 0.223 18.889 19.000 -0.557 0.000 1.198 39 A HN 1.049 nan 8.150 nan 0.000 0.484 40 T N 0.339 114.965 114.554 0.121 0.000 2.903 40 T HA 0.502 4.856 4.350 0.007 0.000 0.314 40 T C 0.463 175.232 174.700 0.114 0.000 1.078 40 T CA 0.484 62.715 62.100 0.220 0.000 1.114 40 T CB 0.671 69.688 68.868 0.248 0.000 0.987 40 T HN 1.600 nan 8.240 nan 0.000 0.548 41 T N -1.741 112.878 114.554 0.108 0.000 2.778 41 T HA 0.436 4.790 4.350 0.007 0.000 0.293 41 T C 1.211 175.943 174.700 0.054 0.000 1.144 41 T CA -0.442 61.703 62.100 0.076 0.000 1.010 41 T CB 1.082 69.999 68.868 0.081 0.000 1.325 41 T HN 0.382 nan 8.240 nan 0.000 0.515 42 S N -0.201 115.525 115.700 0.043 0.000 2.440 42 S HA -0.102 4.373 4.470 0.007 0.000 0.240 42 S C 1.930 176.534 174.600 0.007 0.000 1.014 42 S CA 1.190 59.404 58.200 0.023 0.000 0.980 42 S CB -0.454 62.761 63.200 0.024 0.000 0.775 42 S HN 0.635 nan 8.310 nan 0.000 0.499 43 R N 1.223 121.733 120.500 0.016 0.000 2.148 43 R HA -0.021 4.324 4.340 0.007 0.000 0.227 43 R C 2.125 178.419 176.300 -0.009 0.000 1.103 43 R CA 1.408 57.510 56.100 0.004 0.000 0.983 43 R CB -0.168 30.140 30.300 0.015 0.000 0.874 43 R HN 0.499 nan 8.270 nan 0.000 0.451 44 S N -0.987 114.711 115.700 -0.002 0.000 2.597 44 S HA 0.236 4.710 4.470 0.007 0.000 0.224 44 S C 1.615 176.195 174.600 -0.033 0.000 0.955 44 S CA 0.128 58.319 58.200 -0.015 0.000 0.933 44 S CB 0.947 64.149 63.200 0.004 0.000 0.788 44 S HN 0.262 nan 8.310 nan 0.000 0.488 45 A N 2.791 125.584 122.820 -0.045 0.000 1.902 45 A HA -0.057 4.267 4.320 0.007 0.000 0.217 45 A C 2.471 179.967 177.584 -0.147 0.000 1.181 45 A CA 1.832 53.821 52.037 -0.080 0.000 0.623 45 A CB -1.352 17.599 19.000 -0.081 0.000 0.818 45 A HN 0.872 nan 8.150 nan 0.000 0.443 46 S N -0.743 114.864 115.700 -0.154 0.000 2.442 46 S HA -0.101 4.373 4.470 0.007 0.000 0.236 46 S C 1.729 176.238 174.600 -0.151 0.000 1.007 46 S CA 1.425 59.505 58.200 -0.200 0.000 0.965 46 S CB -0.424 62.681 63.200 -0.159 0.000 0.773 46 S HN 0.201 nan 8.310 nan 0.000 0.504 47 L N 1.839 123.005 121.223 -0.095 0.000 2.027 47 L HA 0.184 4.529 4.340 0.007 0.000 0.206 47 L C 2.844 179.683 176.870 -0.052 0.000 1.074 47 L CA 1.749 56.552 54.840 -0.062 0.000 0.745 47 L CB -1.310 40.724 42.059 -0.041 0.000 0.898 47 L HN 0.360 nan 8.230 nan 0.000 0.433 48 R N -0.319 120.147 120.500 -0.057 0.000 2.092 48 R HA -0.131 4.214 4.340 0.007 0.000 0.231 48 R C 2.180 178.449 176.300 -0.052 0.000 1.119 48 R CA 1.329 57.411 56.100 -0.030 0.000 0.970 48 R CB -0.297 29.990 30.300 -0.021 0.000 0.864 48 R HN 0.464 nan 8.270 nan 0.000 0.440 49 Q N 0.095 119.793 119.800 -0.170 0.000 2.061 49 Q HA -0.171 4.174 4.340 0.007 0.000 0.204 49 Q C 1.680 177.637 176.000 -0.071 0.000 0.984 49 Q CA 1.791 57.428 55.803 -0.276 0.000 0.846 49 Q CB -0.070 28.246 28.738 -0.704 0.000 0.902 49 Q HN 0.248 nan 8.270 nan 0.000 0.421 50 K N 1.054 121.420 120.400 -0.057 0.000 2.097 50 K HA -0.105 4.219 4.320 0.007 0.000 0.206 50 K C 1.782 178.462 176.600 0.133 0.000 1.049 50 K CA 1.062 57.378 56.287 0.048 0.000 0.933 50 K CB -0.194 32.318 32.500 0.021 0.000 0.717 50 K HN 0.222 nan 8.250 nan 0.000 0.442 51 K N 0.680 121.149 120.400 0.115 0.000 2.097 51 K HA -0.039 4.285 4.320 0.007 0.000 0.205 51 K C 1.966 178.764 176.600 0.330 0.000 1.050 51 K CA 0.774 57.166 56.287 0.176 0.000 0.938 51 K CB -0.022 32.549 32.500 0.117 0.000 0.718 51 K HN -0.077 nan 8.250 nan 0.000 0.442 52 V N 1.416 121.497 119.914 0.279 0.000 3.647 52 V HA 0.006 4.131 4.120 0.007 0.000 0.279 52 V C -0.226 175.995 176.094 0.212 0.000 1.314 52 V CA 0.607 63.089 62.300 0.303 0.000 1.125 52 V CB 0.458 32.398 31.823 0.196 0.000 0.907 52 V HN 0.145 nan 8.190 nan 0.000 0.434 53 T N 3.439 118.168 114.554 0.292 0.000 2.770 53 T HA 0.634 4.988 4.350 0.007 0.000 0.297 53 T C -0.788 174.061 174.700 0.249 0.000 0.997 53 T CA -0.144 62.111 62.100 0.258 0.000 0.949 53 T CB 0.395 69.548 68.868 0.474 0.000 0.941 53 T HN 0.391 nan 8.240 nan 0.000 0.457 54 F N -0.280 119.771 119.950 0.169 0.000 2.770 54 F HA 0.629 5.159 4.527 0.004 0.000 0.313 54 F C -0.968 174.867 175.800 0.058 0.000 1.154 54 F CA -1.599 56.461 58.000 0.101 0.000 0.923 54 F CB 0.718 39.768 39.000 0.084 0.000 1.301 54 F HN 0.273 nan 8.300 nan 0.000 0.449 55 D N 0.413 120.989 120.400 0.293 0.000 2.344 55 D HA 0.522 5.166 4.640 0.007 0.000 0.244 55 D C -0.925 175.513 176.300 0.229 0.000 1.134 55 D CA 0.012 54.113 54.000 0.168 0.000 0.930 55 D CB 0.862 41.729 40.800 0.112 0.000 1.175 55 D HN 0.621 nan 8.370 nan 0.000 0.437 56 R N 2.119 122.693 120.500 0.123 0.000 2.545 56 R HA 0.310 4.654 4.340 0.007 0.000 0.289 56 R C -0.945 175.387 176.300 0.052 0.000 1.327 56 R CA -0.623 55.548 56.100 0.119 0.000 1.040 56 R CB 0.794 31.145 30.300 0.085 0.000 1.176 56 R HN 0.335 nan 8.270 nan 0.000 0.518 57 L N 2.176 123.424 121.223 0.043 0.000 2.426 57 L HA 0.359 4.703 4.340 0.007 0.000 0.271 57 L C 0.087 176.958 176.870 0.001 0.000 1.169 57 L CA 0.460 55.307 54.840 0.012 0.000 0.836 57 L CB 1.014 43.074 42.059 0.002 0.000 1.112 57 L HN 0.665 nan 8.230 nan 0.000 0.465 58 Q N 1.817 121.608 119.800 -0.015 0.000 2.263 58 Q HA 0.495 4.840 4.340 0.007 0.000 0.262 58 Q C -1.878 174.100 176.000 -0.037 0.000 0.984 58 Q CA -0.348 55.439 55.803 -0.026 0.000 0.813 58 Q CB 2.256 30.968 28.738 -0.043 0.000 1.299 58 Q HN 0.418 nan 8.270 nan 0.000 0.428 59 V N 5.351 125.246 119.914 -0.030 0.000 2.409 59 V HA 0.480 4.604 4.120 0.007 0.000 0.291 59 V C -0.289 175.806 176.094 0.002 0.000 1.020 59 V CA -0.644 61.638 62.300 -0.030 0.000 0.848 59 V CB 1.371 33.172 31.823 -0.038 0.000 0.990 59 V HN 0.728 nan 8.190 nan 0.000 0.430 60 L N 4.984 126.180 121.223 -0.046 0.000 2.343 60 L HA 0.710 5.054 4.340 0.007 0.000 0.275 60 L C -0.181 176.720 176.870 0.052 0.000 1.056 60 L CA -0.490 54.308 54.840 -0.070 0.000 0.804 60 L CB 1.703 43.590 42.059 -0.287 0.000 1.203 60 L HN 0.769 nan 8.230 nan 0.000 0.440 61 D N -0.550 119.949 120.400 0.164 0.000 2.687 61 D HA 0.183 4.827 4.640 0.007 0.000 0.264 61 D C -0.103 176.267 176.300 0.118 0.000 1.091 61 D CA -0.594 53.484 54.000 0.130 0.000 1.123 61 D CB 0.906 41.801 40.800 0.159 0.000 1.407 61 D HN 0.455 nan 8.370 nan 0.000 0.591 62 D N -1.320 119.081 120.400 0.003 0.000 2.183 62 D HA -0.112 4.532 4.640 0.007 0.000 0.203 62 D C 1.636 177.931 176.300 -0.008 0.000 0.969 62 D CA 0.929 54.905 54.000 -0.039 0.000 0.842 62 D CB -0.024 40.700 40.800 -0.126 0.000 0.957 62 D HN 0.359 nan 8.370 nan 0.000 0.484 63 H N -0.524 118.614 119.070 0.112 0.000 2.319 63 H HA -0.159 4.402 4.556 0.007 0.000 0.299 63 H C 1.855 177.221 175.328 0.063 0.000 1.092 63 H CA 1.163 57.268 56.048 0.095 0.000 1.302 63 H CB -0.659 29.186 29.762 0.139 0.000 1.373 63 H HN 0.313 nan 8.280 nan 0.000 0.497 64 Y N 1.792 122.143 120.300 0.084 0.000 2.145 64 Y HA -0.186 4.369 4.550 0.009 0.000 0.286 64 Y C 2.743 178.602 175.900 -0.069 0.000 1.145 64 Y CA 1.425 59.450 58.100 -0.125 0.000 1.148 64 Y CB -0.179 38.088 38.460 -0.322 0.000 0.981 64 Y HN -0.078 nan 8.280 nan 0.000 0.507 65 R N 0.174 120.770 120.500 0.160 0.000 2.117 65 R HA -0.187 4.158 4.340 0.007 0.000 0.243 65 R C 1.704 177.986 176.300 -0.029 0.000 1.143 65 R CA 1.820 57.957 56.100 0.061 0.000 0.968 65 R CB -0.270 30.078 30.300 0.080 0.000 0.863 65 R HN 0.453 nan 8.270 nan 0.000 0.444 66 D N -0.513 119.885 120.400 -0.004 0.000 2.162 66 D HA -0.078 4.566 4.640 0.007 0.000 0.203 66 D C 1.949 178.230 176.300 -0.031 0.000 0.967 66 D CA 0.818 54.817 54.000 -0.002 0.000 0.840 66 D CB -0.123 40.703 40.800 0.043 0.000 0.972 66 D HN 0.017 nan 8.370 nan 0.000 0.482 67 V N 1.702 121.577 119.914 -0.065 0.000 2.295 67 V HA -0.192 3.932 4.120 0.007 0.000 0.246 67 V C 2.651 178.676 176.094 -0.115 0.000 1.049 67 V CA 0.969 63.220 62.300 -0.081 0.000 1.024 67 V CB -0.458 31.290 31.823 -0.125 0.000 0.648 67 V HN 0.230 nan 8.190 nan 0.000 0.447 68 L N -0.231 120.854 121.223 -0.230 0.000 2.021 68 L HA -0.318 4.026 4.340 0.007 0.000 0.215 68 L C 2.684 179.486 176.870 -0.112 0.000 1.074 68 L CA 2.169 56.878 54.840 -0.219 0.000 0.760 68 L CB -0.364 41.529 42.059 -0.276 0.000 0.889 68 L HN 0.356 nan 8.230 nan 0.000 0.433 69 K N -0.555 119.798 120.400 -0.079 0.000 2.097 69 K HA -0.178 4.146 4.320 0.007 0.000 0.205 69 K C 1.857 178.438 176.600 -0.033 0.000 1.050 69 K CA 1.365 57.625 56.287 -0.045 0.000 0.938 69 K CB -0.029 32.454 32.500 -0.028 0.000 0.718 69 K HN 0.444 nan 8.250 nan 0.000 0.442 70 E N 0.614 120.799 120.200 -0.025 0.000 2.077 70 E HA -0.184 4.171 4.350 0.007 0.000 0.193 70 E C 2.029 178.617 176.600 -0.020 0.000 0.989 70 E CA 1.345 57.738 56.400 -0.011 0.000 0.800 70 E CB -0.039 29.667 29.700 0.010 0.000 0.746 70 E HN 0.253 nan 8.360 nan 0.000 0.452 71 M N 0.662 120.244 119.600 -0.030 0.000 2.067 71 M HA -0.198 4.286 4.480 0.007 0.000 0.260 71 M C 2.174 178.433 176.300 -0.068 0.000 1.069 71 M CA 1.585 56.853 55.300 -0.054 0.000 1.117 71 M CB -0.237 32.326 32.600 -0.063 0.000 1.334 71 M HN -0.048 nan 8.290 nan 0.000 0.407 72 K N 0.295 120.655 120.400 -0.066 0.000 2.113 72 K HA -0.159 4.165 4.320 0.007 0.000 0.208 72 K C 2.039 178.614 176.600 -0.042 0.000 1.047 72 K CA 1.581 57.834 56.287 -0.058 0.000 0.928 72 K CB -0.399 32.071 32.500 -0.050 0.000 0.716 72 K HN 0.342 nan 8.250 nan 0.000 0.446 73 A N 1.758 124.557 122.820 -0.035 0.000 1.930 73 A HA -0.160 4.164 4.320 0.007 0.000 0.217 73 A C 1.906 179.473 177.584 -0.028 0.000 1.175 73 A CA 1.371 53.393 52.037 -0.026 0.000 0.627 73 A CB -0.209 18.780 19.000 -0.018 0.000 0.815 73 A HN 0.187 nan 8.150 nan 0.000 0.443 74 K N -0.351 120.026 120.400 -0.038 0.000 2.155 74 K HA 0.033 4.358 4.320 0.007 0.000 0.203 74 K C 2.214 178.784 176.600 -0.049 0.000 1.052 74 K CA 0.890 57.151 56.287 -0.044 0.000 0.948 74 K CB -0.237 32.227 32.500 -0.059 0.000 0.728 74 K HN 0.434 nan 8.250 nan 0.000 0.448 75 A N 1.360 124.148 122.820 -0.053 0.000 1.969 75 A HA -0.139 4.186 4.320 0.007 0.000 0.218 75 A C 2.016 179.585 177.584 -0.025 0.000 1.169 75 A CA 1.878 53.888 52.037 -0.045 0.000 0.635 75 A CB -0.497 18.474 19.000 -0.048 0.000 0.810 75 A HN 0.352 nan 8.150 nan 0.000 0.445 76 S N -1.551 114.136 115.700 -0.021 0.000 2.595 76 S HA -0.064 4.410 4.470 0.007 0.000 0.235 76 S C 1.503 176.096 174.600 -0.011 0.000 0.974 76 S CA 1.328 59.522 58.200 -0.012 0.000 0.942 76 S CB -0.657 62.537 63.200 -0.010 0.000 0.766 76 S HN 0.453 nan 8.310 nan 0.000 0.536 77 T N 1.610 116.153 114.554 -0.018 0.000 3.023 77 T HA 0.167 4.521 4.350 0.007 0.000 0.266 77 T C 0.517 175.207 174.700 -0.016 0.000 1.093 77 T CA 0.363 62.452 62.100 -0.017 0.000 1.129 77 T CB -0.236 68.618 68.868 -0.023 0.000 0.899 77 T HN 0.269 nan 8.240 nan 0.000 0.491 78 V N 2.042 121.945 119.914 -0.018 0.000 2.567 78 V HA 0.441 4.565 4.120 0.007 0.000 0.289 78 V C -0.113 175.977 176.094 -0.007 0.000 1.049 78 V CA -0.873 61.417 62.300 -0.018 0.000 0.969 78 V CB 1.576 33.384 31.823 -0.025 0.000 0.995 78 V HN 0.157 nan 8.190 nan 0.000 0.471 79 K N 3.236 123.633 120.400 -0.006 0.000 2.450 79 K HA 0.761 5.086 4.320 0.007 0.000 0.257 79 K C -0.398 176.202 176.600 0.000 0.000 0.953 79 K CA -0.358 55.930 56.287 0.001 0.000 0.844 79 K CB 1.495 33.996 32.500 0.002 0.000 1.103 79 K HN 0.854 nan 8.250 nan 0.000 0.429 80 A N 3.753 126.577 122.820 0.006 0.000 2.256 80 A HA 0.599 4.923 4.320 0.007 0.000 0.318 80 A C -1.047 176.546 177.584 0.015 0.000 1.103 80 A CA -0.640 51.400 52.037 0.006 0.000 0.860 80 A CB 0.660 19.663 19.000 0.005 0.000 1.182 80 A HN 0.856 nan 8.150 nan 0.000 0.501 81 K N 0.497 120.909 120.400 0.019 0.000 2.501 81 K HA 0.573 4.897 4.320 0.007 0.000 0.252 81 K C -1.801 174.816 176.600 0.029 0.000 0.934 81 K CA -0.766 55.535 56.287 0.023 0.000 0.797 81 K CB 1.170 33.681 32.500 0.018 0.000 1.270 81 K HN 0.342 nan 8.250 nan 0.000 0.431 82 L N 2.956 124.192 121.223 0.022 0.000 2.490 82 L HA 0.114 4.458 4.340 0.007 0.000 0.274 82 L C -0.292 176.562 176.870 -0.027 0.000 1.201 82 L CA 0.066 54.906 54.840 0.000 0.000 0.869 82 L CB 0.182 42.230 42.059 -0.018 0.000 1.123 82 L HN 0.593 nan 8.230 nan 0.000 0.484 83 L N 2.530 123.724 121.223 -0.047 0.000 2.418 83 L HA 0.361 4.705 4.340 0.007 0.000 0.265 83 L C 0.609 177.391 176.870 -0.147 0.000 1.143 83 L CA 0.232 55.029 54.840 -0.073 0.000 0.809 83 L CB 1.216 43.234 42.059 -0.069 0.000 1.124 83 L HN 0.809 nan 8.230 nan 0.000 0.456 84 S N 1.771 117.390 115.700 -0.135 0.000 2.614 84 S HA 0.340 4.814 4.470 0.007 0.000 0.265 84 S C 1.414 175.897 174.600 -0.195 0.000 1.303 84 S CA -0.544 57.554 58.200 -0.169 0.000 1.000 84 S CB 0.392 63.518 63.200 -0.123 0.000 0.935 84 S HN 0.463 nan 8.310 nan 0.000 0.551 85 I N 0.774 121.213 120.570 -0.218 0.000 2.163 85 I HA -0.178 3.996 4.170 0.007 0.000 0.243 85 I C 2.955 178.977 176.117 -0.159 0.000 1.085 85 I CA 1.752 62.926 61.300 -0.209 0.000 1.347 85 I CB -0.487 37.392 38.000 -0.201 0.000 1.044 85 I HN 0.834 nan 8.210 nan 0.000 0.408 86 E N 1.321 121.440 120.200 -0.134 0.000 2.114 86 E HA -0.283 4.071 4.350 0.007 0.000 0.199 86 E C 1.966 178.494 176.600 -0.120 0.000 1.008 86 E CA 1.919 58.251 56.400 -0.113 0.000 0.810 86 E CB -0.009 29.636 29.700 -0.092 0.000 0.739 86 E HN 0.579 nan 8.360 nan 0.000 0.456 87 E N 0.016 120.141 120.200 -0.126 0.000 2.028 87 E HA -0.125 4.229 4.350 0.007 0.000 0.191 87 E C 2.137 178.625 176.600 -0.187 0.000 0.988 87 E CA 0.895 57.213 56.400 -0.137 0.000 0.799 87 E CB -0.220 29.412 29.700 -0.113 0.000 0.755 87 E HN 0.314 nan 8.360 nan 0.000 0.447 88 A N 0.930 123.638 122.820 -0.186 0.000 1.948 88 A HA -0.251 4.074 4.320 0.007 0.000 0.220 88 A C 2.413 179.884 177.584 -0.188 0.000 1.177 88 A CA 1.485 53.401 52.037 -0.201 0.000 0.636 88 A CB -1.021 17.877 19.000 -0.170 0.000 0.815 88 A HN 0.381 nan 8.150 nan 0.000 0.449 89 C N -1.270 117.935 119.300 -0.158 0.000 2.453 89 C HA -0.012 4.452 4.460 0.007 0.000 0.277 89 C C 2.575 177.474 174.990 -0.151 0.000 1.262 89 C CA 1.354 60.291 59.018 -0.135 0.000 1.718 89 C CB -0.989 26.681 27.740 -0.116 0.000 2.031 89 C HN 0.621 nan 8.230 nan 0.000 0.480 90 K N 0.449 120.757 120.400 -0.154 0.000 2.504 90 K HA 0.089 4.413 4.320 0.007 0.000 0.195 90 K C 1.428 177.916 176.600 -0.187 0.000 1.036 90 K CA 0.531 56.731 56.287 -0.145 0.000 0.984 90 K CB -0.109 32.324 32.500 -0.111 0.000 0.788 90 K HN 0.495 nan 8.250 nan 0.000 0.488 91 L N 0.169 121.233 121.223 -0.264 0.000 2.492 91 L HA -0.007 4.337 4.340 0.007 0.000 0.223 91 L C 0.355 177.063 176.870 -0.269 0.000 1.132 91 L CA 0.348 54.967 54.840 -0.369 0.000 0.850 91 L CB 0.007 41.736 42.059 -0.550 0.000 0.966 91 L HN -0.029 nan 8.230 nan 0.000 0.454 92 T N 2.882 117.310 114.554 -0.211 0.000 2.814 92 T HA 0.183 4.538 4.350 0.007 0.000 0.297 92 T C -2.256 172.286 174.700 -0.264 0.000 0.956 92 T CA -1.041 60.947 62.100 -0.187 0.000 1.123 92 T CB 0.937 69.720 68.868 -0.141 0.000 0.902 92 T HN -0.027 nan 8.240 nan 0.000 0.528 93 P HA 0.205 nan 4.420 nan 0.000 0.275 93 P C -2.084 174.933 177.300 -0.471 0.000 1.228 93 P CA -1.802 61.031 63.100 -0.444 0.000 0.786 93 P CB 0.724 32.343 31.700 -0.135 0.000 0.927 94 P HA -0.104 nan 4.420 nan 0.000 0.226 94 P C 0.468 177.435 177.300 -0.554 0.000 1.153 94 P CA 1.524 64.249 63.100 -0.625 0.000 0.777 94 P CB -0.053 31.182 31.700 -0.776 0.000 0.794 95 H N -0.973 118.010 119.070 -0.145 0.000 2.524 95 H HA 0.357 4.917 4.556 0.007 0.000 0.297 95 H C 0.387 175.660 175.328 -0.093 0.000 1.115 95 H CA -0.405 55.591 56.048 -0.087 0.000 1.027 95 H CB -0.130 29.601 29.762 -0.053 0.000 1.591 95 H HN 0.041 nan 8.280 nan 0.000 0.543 96 S N 0.829 116.496 115.700 -0.055 0.000 2.593 96 S HA 0.412 4.887 4.470 0.007 0.000 0.269 96 S C 0.651 175.216 174.600 -0.059 0.000 1.334 96 S CA -0.596 57.559 58.200 -0.075 0.000 1.015 96 S CB 0.895 64.045 63.200 -0.083 0.000 0.912 96 S HN 0.589 nan 8.310 nan 0.000 0.541 97 A N 2.515 125.273 122.820 -0.103 0.000 2.520 97 A HA 0.275 4.600 4.320 0.007 0.000 0.245 97 A C 0.382 177.966 177.584 0.000 0.000 1.072 97 A CA -0.269 51.740 52.037 -0.046 0.000 0.761 97 A CB -0.298 18.662 19.000 -0.068 0.000 1.004 97 A HN 0.741 nan 8.150 nan 0.000 0.499 98 K N 2.220 122.614 120.400 -0.010 0.000 2.286 98 K HA 0.365 4.689 4.320 0.007 0.000 0.256 98 K C 0.432 176.977 176.600 -0.090 0.000 0.999 98 K CA 0.073 56.318 56.287 -0.071 0.000 0.908 98 K CB 0.261 32.714 32.500 -0.079 0.000 0.981 98 K HN 0.399 nan 8.250 nan 0.000 0.500 99 S N -0.202 115.327 115.700 -0.285 0.000 2.592 99 S HA 0.084 4.559 4.470 0.007 0.000 0.271 99 S C 0.577 175.079 174.600 -0.164 0.000 1.326 99 S CA -0.657 57.385 58.200 -0.262 0.000 1.024 99 S CB 0.538 63.246 63.200 -0.820 0.000 0.921 99 S HN 0.652 nan 8.310 nan 0.000 0.527 100 K N 2.037 122.407 120.400 -0.050 0.000 2.281 100 K HA -0.084 4.240 4.320 0.007 0.000 0.203 100 K C 0.012 176.351 176.600 -0.436 0.000 1.046 100 K CA 1.391 57.513 56.287 -0.275 0.000 0.938 100 K CB -0.198 32.024 32.500 -0.462 0.000 0.737 100 K HN 0.629 nan 8.250 nan 0.000 0.458 101 F N 0.062 119.863 119.950 -0.250 0.000 2.983 101 F HA 0.228 4.758 4.527 0.006 0.000 0.307 101 F C 1.313 177.042 175.800 -0.119 0.000 1.218 101 F CA -0.177 57.699 58.000 -0.207 0.000 1.323 101 F CB 0.719 39.488 39.000 -0.385 0.000 0.989 101 F HN 0.125 nan 8.300 nan 0.000 0.509 102 G N 0.364 109.141 108.800 -0.038 0.000 4.794 102 G HA2 -0.353 3.611 3.960 0.007 0.000 0.275 102 G HA3 -0.353 3.611 3.960 0.007 0.000 0.275 102 G C 0.218 175.109 174.900 -0.015 0.000 1.648 102 G CA -0.206 44.905 45.100 0.019 0.000 1.154 102 G HN 0.407 nan 8.290 nan 0.000 0.680 103 Y N 2.050 122.362 120.300 0.021 0.000 2.741 103 Y HA 0.421 4.975 4.550 0.007 0.000 0.351 103 Y C 0.879 176.796 175.900 0.028 0.000 1.274 103 Y CA 0.071 58.184 58.100 0.022 0.000 1.482 103 Y CB -0.025 38.450 38.460 0.027 0.000 1.357 103 Y HN 1.204 nan 8.280 nan 0.000 0.657 104 G N -0.372 108.474 108.800 0.078 0.000 3.022 104 G HA2 0.509 4.473 3.960 0.007 0.000 0.284 104 G HA3 0.509 4.473 3.960 0.007 0.000 0.284 104 G C 0.281 175.230 174.900 0.082 0.000 1.375 104 G CA -0.850 44.247 45.100 -0.004 0.000 0.902 104 G HN 1.061 nan 8.290 nan 0.000 0.538 105 A N -0.245 122.582 122.820 0.012 0.000 1.940 105 A HA -0.095 4.229 4.320 0.007 0.000 0.219 105 A C 2.195 179.749 177.584 -0.050 0.000 1.176 105 A CA 2.622 54.645 52.037 -0.022 0.000 0.631 105 A CB -0.587 18.364 19.000 -0.082 0.000 0.814 105 A HN 0.758 nan 8.150 nan 0.000 0.446 106 K N 0.180 120.553 120.400 -0.045 0.000 2.057 106 K HA -0.119 4.205 4.320 0.007 0.000 0.206 106 K C 1.193 177.779 176.600 -0.023 0.000 1.050 106 K CA 1.770 58.023 56.287 -0.057 0.000 0.935 106 K CB -0.511 31.966 32.500 -0.039 0.000 0.715 106 K HN 0.443 nan 8.250 nan 0.000 0.439 107 D N 0.812 121.230 120.400 0.030 0.000 2.219 107 D HA -0.092 4.553 4.640 0.007 0.000 0.205 107 D C 1.934 178.249 176.300 0.026 0.000 0.970 107 D CA 1.167 55.196 54.000 0.048 0.000 0.851 107 D CB 0.103 40.978 40.800 0.126 0.000 0.943 107 D HN 0.105 nan 8.370 nan 0.000 0.488 108 V N 1.498 121.439 119.914 0.045 0.000 2.255 108 V HA -0.199 3.925 4.120 0.007 0.000 0.243 108 V C 2.470 178.531 176.094 -0.055 0.000 1.038 108 V CA 1.419 63.719 62.300 0.001 0.000 1.008 108 V CB -0.398 31.445 31.823 0.034 0.000 0.645 108 V HN 0.070 nan 8.190 nan 0.000 0.449 109 R N 0.635 121.088 120.500 -0.078 0.000 2.159 109 R HA -0.104 4.240 4.340 0.007 0.000 0.237 109 R C 1.704 177.955 176.300 -0.081 0.000 1.131 109 R CA 1.358 57.395 56.100 -0.104 0.000 0.982 109 R CB -0.340 29.869 30.300 -0.151 0.000 0.868 109 R HN 0.530 nan 8.270 nan 0.000 0.453 110 N N 0.727 119.389 118.700 -0.063 0.000 2.398 110 N HA 0.064 4.809 4.740 0.007 0.000 0.188 110 N C 0.338 175.819 175.510 -0.048 0.000 1.122 110 N CA 0.286 53.306 53.050 -0.050 0.000 0.866 110 N CB 0.364 38.828 38.487 -0.038 0.000 0.970 110 N HN 0.127 nan 8.380 nan 0.000 0.462 111 L N 0.568 121.756 121.223 -0.057 0.000 4.001 111 L HA -0.237 4.108 4.340 0.007 0.000 0.413 111 L C 0.320 177.153 176.870 -0.061 0.000 1.185 111 L CA 0.078 54.878 54.840 -0.066 0.000 0.963 111 L CB -2.723 39.296 42.059 -0.066 0.000 1.976 111 L HN 0.148 nan 8.230 nan 0.000 0.939 112 S N -1.165 114.506 115.700 -0.048 0.000 2.553 112 S HA 0.057 4.531 4.470 0.007 0.000 0.293 112 S C 1.485 176.049 174.600 -0.060 0.000 1.296 112 S CA 0.203 58.379 58.200 -0.039 0.000 1.046 112 S CB 1.339 64.530 63.200 -0.015 0.000 0.810 112 S HN 0.327 nan 8.310 nan 0.000 0.505 113 S N 2.674 118.347 115.700 -0.045 0.000 2.383 113 S HA -0.171 4.303 4.470 0.007 0.000 0.229 113 S C 1.836 176.396 174.600 -0.066 0.000 1.030 113 S CA 1.251 59.421 58.200 -0.050 0.000 1.002 113 S CB -0.569 62.613 63.200 -0.030 0.000 0.829 113 S HN 0.839 nan 8.310 nan 0.000 0.467 114 R N 2.255 122.721 120.500 -0.055 0.000 2.082 114 R HA -0.058 4.287 4.340 0.007 0.000 0.234 114 R C 2.360 178.531 176.300 -0.217 0.000 1.136 114 R CA 1.845 57.907 56.100 -0.063 0.000 0.935 114 R CB -1.138 29.169 30.300 0.012 0.000 0.842 114 R HN 0.312 nan 8.270 nan 0.000 0.430 115 A N 0.206 122.806 122.820 -0.367 0.000 1.883 115 A HA -0.173 4.151 4.320 0.007 0.000 0.217 115 A C 2.370 179.680 177.584 -0.458 0.000 1.186 115 A CA 2.334 53.881 52.037 -0.817 0.000 0.624 115 A CB -1.195 17.486 19.000 -0.533 0.000 0.822 115 A HN 0.399 nan 8.150 nan 0.000 0.444 116 V N -1.592 118.173 119.914 -0.248 0.000 2.427 116 V HA -0.213 3.911 4.120 0.007 0.000 0.248 116 V C 1.861 177.872 176.094 -0.138 0.000 1.051 116 V CA 2.342 64.540 62.300 -0.170 0.000 1.048 116 V CB -1.239 30.510 31.823 -0.124 0.000 0.666 116 V HN 0.436 nan 8.190 nan 0.000 0.456 117 N N 0.087 118.719 118.700 -0.114 0.000 2.188 117 N HA -0.147 4.597 4.740 0.007 0.000 0.184 117 N C 1.903 177.381 175.510 -0.054 0.000 1.018 117 N CA 1.872 54.883 53.050 -0.066 0.000 0.858 117 N CB -0.762 37.704 38.487 -0.036 0.000 0.989 117 N HN 0.797 nan 8.380 nan 0.000 0.426 118 H N 0.650 119.607 119.070 -0.189 0.000 2.326 118 H HA 0.052 4.612 4.556 0.007 0.000 0.301 118 H C 2.031 177.277 175.328 -0.136 0.000 1.081 118 H CA 1.076 57.022 56.048 -0.171 0.000 1.334 118 H CB -0.061 29.588 29.762 -0.189 0.000 1.385 118 H HN 0.096 nan 8.280 nan 0.000 0.504 119 I N 0.771 121.194 120.570 -0.244 0.000 2.118 119 I HA -0.334 3.840 4.170 0.007 0.000 0.241 119 I C 2.923 178.975 176.117 -0.108 0.000 1.070 119 I CA 1.454 62.642 61.300 -0.187 0.000 1.327 119 I CB -0.276 37.646 38.000 -0.130 0.000 1.034 119 I HN 0.239 nan 8.210 nan 0.000 0.405 120 R N 0.503 120.951 120.500 -0.087 0.000 2.103 120 R HA -0.213 4.131 4.340 0.007 0.000 0.242 120 R C 2.566 178.877 176.300 0.017 0.000 1.142 120 R CA 2.080 58.173 56.100 -0.012 0.000 0.960 120 R CB -0.526 29.755 30.300 -0.033 0.000 0.858 120 R HN 0.534 nan 8.270 nan 0.000 0.439 121 S N -0.044 115.610 115.700 -0.076 0.000 2.383 121 S HA -0.071 4.404 4.470 0.007 0.000 0.227 121 S C 2.093 176.617 174.600 -0.127 0.000 1.026 121 S CA 1.180 59.328 58.200 -0.087 0.000 0.981 121 S CB -0.310 62.831 63.200 -0.097 0.000 0.818 121 S HN 0.091 nan 8.310 nan 0.000 0.472 122 V N 0.747 120.525 119.914 -0.227 0.000 2.515 122 V HA -0.093 4.032 4.120 0.007 0.000 0.250 122 V C 2.192 178.249 176.094 -0.062 0.000 1.058 122 V CA 1.655 63.828 62.300 -0.210 0.000 1.064 122 V CB -0.972 30.665 31.823 -0.311 0.000 0.675 122 V HN 0.706 nan 8.190 nan 0.000 0.461 123 W N 0.779 121.984 121.300 -0.158 0.000 2.379 123 W HA -0.125 4.539 4.660 0.008 0.000 0.307 123 W C 2.409 178.875 176.519 -0.087 0.000 1.200 123 W CA 1.633 58.914 57.345 -0.107 0.000 1.297 123 W CB -0.067 29.336 29.460 -0.094 0.000 1.140 123 W HN 0.242 nan 8.180 nan 0.000 0.507 124 E N 0.760 120.958 120.200 -0.004 0.000 2.085 124 E HA -0.283 4.072 4.350 0.007 0.000 0.194 124 E C 1.596 178.099 176.600 -0.162 0.000 0.994 124 E CA 2.161 58.513 56.400 -0.080 0.000 0.801 124 E CB -0.618 29.078 29.700 -0.005 0.000 0.743 124 E HN 0.363 nan 8.360 nan 0.000 0.453 125 D N -0.395 119.919 120.400 -0.142 0.000 2.123 125 D HA -0.171 4.473 4.640 0.007 0.000 0.196 125 D C 1.870 178.053 176.300 -0.196 0.000 0.992 125 D CA 0.660 54.575 54.000 -0.142 0.000 0.833 125 D CB 0.053 40.781 40.800 -0.120 0.000 0.954 125 D HN 0.032 nan 8.370 nan 0.000 0.455 126 L N 0.193 121.244 121.223 -0.287 0.000 2.217 126 L HA 0.038 4.383 4.340 0.007 0.000 0.211 126 L C 1.958 178.611 176.870 -0.362 0.000 1.107 126 L CA 1.089 55.728 54.840 -0.334 0.000 0.783 126 L CB -0.496 41.304 42.059 -0.431 0.000 0.919 126 L HN 0.289 nan 8.230 nan 0.000 0.442 127 L N -1.760 119.214 121.223 -0.416 0.000 2.341 127 L HA -0.074 4.271 4.340 0.007 0.000 0.214 127 L C 1.935 178.691 176.870 -0.189 0.000 1.115 127 L CA 0.713 55.360 54.840 -0.322 0.000 0.820 127 L CB -0.142 41.722 42.059 -0.325 0.000 0.944 127 L HN 0.276 nan 8.230 nan 0.000 0.452 128 E N -1.229 118.872 120.200 -0.164 0.000 2.473 128 E HA -0.003 4.351 4.350 0.007 0.000 0.204 128 E C -0.163 176.384 176.600 -0.089 0.000 0.994 128 E CA -0.094 56.242 56.400 -0.106 0.000 0.945 128 E CB 0.791 30.438 29.700 -0.087 0.000 0.990 128 E HN 0.130 nan 8.360 nan 0.000 0.493 129 D N -0.812 119.527 120.400 -0.102 0.000 2.757 129 D HA 0.159 4.803 4.640 0.007 0.000 0.249 129 D C -0.018 176.231 176.300 -0.085 0.000 1.168 129 D CA -0.241 53.711 54.000 -0.079 0.000 0.870 129 D CB 1.984 42.742 40.800 -0.071 0.000 1.411 129 D HN -0.250 nan 8.370 nan 0.000 0.525 130 T N 2.557 117.072 114.554 -0.065 0.000 3.001 130 T HA 0.155 4.509 4.350 0.007 0.000 0.251 130 T C 1.023 175.693 174.700 -0.050 0.000 1.040 130 T CA 0.266 62.329 62.100 -0.061 0.000 0.985 130 T CB 0.771 69.610 68.868 -0.049 0.000 1.011 130 T HN 0.452 nan 8.240 nan 0.000 0.509 131 E N 0.323 120.497 120.200 -0.042 0.000 2.489 131 E HA 0.104 4.458 4.350 0.007 0.000 0.208 131 E C -0.139 176.448 176.600 -0.021 0.000 0.814 131 E CA 0.098 56.481 56.400 -0.028 0.000 1.348 131 E CB 0.719 30.406 29.700 -0.021 0.000 1.334 131 E HN 0.135 nan 8.360 nan 0.000 0.672 132 T N 4.866 119.405 114.554 -0.024 0.000 2.793 132 T HA 0.083 4.437 4.350 0.007 0.000 0.289 132 T C -2.506 172.188 174.700 -0.011 0.000 0.956 132 T CA -0.787 61.306 62.100 -0.011 0.000 1.177 132 T CB 0.435 69.295 68.868 -0.013 0.000 0.897 132 T HN -0.072 nan 8.240 nan 0.000 0.533 133 P HA 0.195 nan 4.420 nan 0.000 0.268 133 P C -0.242 177.053 177.300 -0.008 0.000 1.205 133 P CA -0.228 62.877 63.100 0.008 0.000 0.771 133 P CB 0.411 32.150 31.700 0.065 0.000 0.858 134 I N 2.266 122.814 120.570 -0.037 0.000 2.331 134 I HA 0.164 4.339 4.170 0.007 0.000 0.292 134 I C 0.779 176.876 176.117 -0.033 0.000 0.998 134 I CA -0.462 60.819 61.300 -0.032 0.000 1.267 134 I CB 0.844 38.810 38.000 -0.056 0.000 1.386 134 I HN 0.317 nan 8.210 nan 0.000 0.476 135 D N 4.793 125.189 120.400 -0.006 0.000 2.382 135 D HA 0.232 4.876 4.640 0.007 0.000 0.245 135 D C -0.313 175.957 176.300 -0.049 0.000 1.120 135 D CA 0.132 54.120 54.000 -0.020 0.000 0.890 135 D CB 0.899 41.708 40.800 0.014 0.000 1.201 135 D HN 0.596 nan 8.370 nan 0.000 0.433 136 T N -0.446 114.053 114.554 -0.091 0.000 2.916 136 T HA 0.614 4.968 4.350 0.007 0.000 0.292 136 T C -0.222 174.342 174.700 -0.226 0.000 1.055 136 T CA -0.962 61.044 62.100 -0.156 0.000 1.009 136 T CB 1.475 70.277 68.868 -0.110 0.000 1.118 136 T HN 0.248 nan 8.240 nan 0.000 0.497 137 T N 2.163 116.434 114.554 -0.472 0.000 2.907 137 T HA 0.600 4.954 4.350 0.007 0.000 0.284 137 T C -0.398 174.119 174.700 -0.305 0.000 1.004 137 T CA -0.679 61.138 62.100 -0.473 0.000 1.063 137 T CB 0.735 69.110 68.868 -0.821 0.000 0.992 137 T HN 0.725 nan 8.240 nan 0.000 0.483 138 I N 3.561 124.079 120.570 -0.087 0.000 2.439 138 I HA 0.445 4.619 4.170 0.007 0.000 0.285 138 I C -1.096 175.069 176.117 0.080 0.000 1.021 138 I CA -0.841 60.483 61.300 0.040 0.000 1.091 138 I CB 0.663 38.720 38.000 0.096 0.000 1.242 138 I HN 0.434 nan 8.210 nan 0.000 0.439 139 M N 6.285 125.972 119.600 0.145 0.000 2.535 139 M HA 0.531 5.015 4.480 0.007 0.000 0.314 139 M C -0.004 176.363 176.300 0.110 0.000 1.153 139 M CA -0.575 54.810 55.300 0.143 0.000 0.924 139 M CB 1.910 34.646 32.600 0.227 0.000 1.710 139 M HN 0.597 nan 8.290 nan 0.000 0.451 140 A N 2.437 125.301 122.820 0.074 0.000 2.406 140 A HA 0.377 4.701 4.320 0.007 0.000 0.243 140 A C -0.201 177.427 177.584 0.073 0.000 1.082 140 A CA -0.037 52.036 52.037 0.061 0.000 0.786 140 A CB 0.356 19.381 19.000 0.042 0.000 1.029 140 A HN 0.806 nan 8.150 nan 0.000 0.495 141 K N 0.366 120.807 120.400 0.069 0.000 2.244 141 K HA 0.408 4.733 4.320 0.007 0.000 0.260 141 K C -0.572 176.052 176.600 0.040 0.000 0.951 141 K CA -0.145 56.176 56.287 0.057 0.000 0.826 141 K CB 1.488 34.029 32.500 0.068 0.000 1.108 141 K HN 0.601 nan 8.250 nan 0.000 0.433 142 S N 3.399 119.101 115.700 0.002 0.000 2.411 142 S HA 0.206 4.681 4.470 0.007 0.000 0.294 142 S C -1.115 173.395 174.600 -0.150 0.000 1.115 142 S CA -0.497 57.672 58.200 -0.051 0.000 1.071 142 S CB 0.158 63.333 63.200 -0.043 0.000 0.967 142 S HN 0.525 nan 8.310 nan 0.000 0.488 143 E N 2.485 122.561 120.200 -0.207 0.000 2.293 143 E HA 0.427 4.781 4.350 0.007 0.000 0.270 143 E C -0.737 175.412 176.600 -0.753 0.000 0.879 143 E CA -1.043 55.096 56.400 -0.436 0.000 0.756 143 E CB 2.051 31.541 29.700 -0.350 0.000 1.208 143 E HN 0.498 nan 8.360 nan 0.000 0.428 144 V N 0.538 119.878 119.914 -0.956 0.000 2.743 144 V HA 0.679 4.803 4.120 0.007 0.000 0.301 144 V C -1.038 174.320 176.094 -1.227 0.000 1.057 144 V CA 0.009 61.707 62.300 -1.003 0.000 1.006 144 V CB 0.288 31.570 31.823 -0.902 0.000 1.024 144 V HN 0.590 nan 8.190 nan 0.000 0.473 145 F N 2.574 122.101 119.950 -0.704 0.000 2.715 145 F HA 0.698 5.229 4.527 0.007 0.000 0.318 145 F C -0.010 175.567 175.800 -0.372 0.000 1.141 145 F CA -0.643 57.029 58.000 -0.547 0.000 0.950 145 F CB 1.356 39.977 39.000 -0.631 0.000 1.374 145 F HN 0.866 nan 8.300 nan 0.000 0.477 146 C N 2.558 121.945 119.300 0.145 0.000 2.391 146 C HA 0.845 5.310 4.460 0.007 0.000 0.339 146 C C 0.048 175.239 174.990 0.334 0.000 1.205 146 C CA -0.600 58.540 59.018 0.203 0.000 1.937 146 C CB 0.201 28.015 27.740 0.123 0.000 2.341 146 C HN 0.739 nan 8.230 nan 0.000 0.516 147 V N 3.905 124.020 119.914 0.335 0.000 3.376 147 V HA 0.376 4.500 4.120 0.007 0.000 0.303 147 V C -0.168 175.999 176.094 0.121 0.000 1.100 147 V CA -0.134 62.309 62.300 0.239 0.000 1.126 147 V CB 0.543 32.430 31.823 0.106 0.000 1.085 147 V HN 1.019 nan 8.190 nan 0.000 0.480 148 Q N 2.952 122.787 119.800 0.057 0.000 2.256 148 Q HA 0.631 4.975 4.340 0.007 0.000 0.257 148 Q C -2.286 173.716 176.000 0.004 0.000 0.936 148 Q CA -1.488 54.328 55.803 0.022 0.000 0.903 148 Q CB 1.431 30.168 28.738 -0.002 0.000 1.263 148 Q HN 0.832 nan 8.270 nan 0.000 0.440 154 R N 0.187 120.598 120.500 -0.148 0.000 2.535 154 R HA 0.435 4.779 4.340 0.007 0.000 0.274 154 R C -0.885 175.329 176.300 -0.143 0.000 1.090 154 R CA -0.715 55.233 56.100 -0.253 0.000 0.930 154 R CB 1.609 31.634 30.300 -0.459 0.000 1.223 154 R HN 0.457 nan 8.270 nan 0.000 0.441 155 K N 4.464 124.832 120.400 -0.053 0.000 2.350 155 K HA 0.226 4.550 4.320 0.007 0.000 0.279 155 K C -2.099 174.502 176.600 0.003 0.000 1.027 155 K CA -1.388 54.852 56.287 -0.078 0.000 0.969 155 K CB 0.606 32.934 32.500 -0.288 0.000 0.954 155 K HN 0.362 nan 8.250 nan 0.000 0.474 156 P HA 0.040 nan 4.420 nan 0.000 0.274 156 P C -0.803 176.529 177.300 0.053 0.000 1.231 156 P CA -0.444 62.667 63.100 0.018 0.000 0.790 156 P CB 0.817 32.514 31.700 -0.006 0.000 0.951 157 A N 3.815 126.681 122.820 0.077 0.000 2.561 157 A HA 0.033 4.357 4.320 0.007 0.000 0.234 157 A C 0.749 178.380 177.584 0.079 0.000 1.055 157 A CA 0.142 52.238 52.037 0.098 0.000 0.756 157 A CB -0.335 18.711 19.000 0.077 0.000 0.986 157 A HN 0.489 nan 8.150 nan 0.000 0.505 158 R N 0.228 120.791 120.500 0.106 0.000 2.637 158 R HA 0.519 4.863 4.340 0.007 0.000 0.269 158 R C -0.855 175.498 176.300 0.088 0.000 1.089 158 R CA -0.292 55.867 56.100 0.099 0.000 1.177 158 R CB 0.431 30.806 30.300 0.126 0.000 1.091 158 R HN 0.676 nan 8.270 nan 0.000 0.540 159 L N 2.619 123.896 121.223 0.091 0.000 2.349 159 L HA 0.422 4.767 4.340 0.007 0.000 0.278 159 L C -0.452 176.499 176.870 0.135 0.000 0.996 159 L CA -0.886 54.010 54.840 0.093 0.000 0.825 159 L CB 1.595 43.686 42.059 0.053 0.000 1.243 159 L HN 0.436 nan 8.230 nan 0.000 0.412 160 I N 3.633 124.300 120.570 0.162 0.000 2.472 160 I HA 0.367 4.542 4.170 0.007 0.000 0.290 160 I C -0.458 175.821 176.117 0.269 0.000 1.016 160 I CA -0.002 61.429 61.300 0.219 0.000 1.348 160 I CB 1.557 39.687 38.000 0.217 0.000 1.417 160 I HN 0.259 nan 8.210 nan 0.000 0.521 161 V N 8.922 129.001 119.914 0.275 0.000 2.409 161 V HA 0.456 4.580 4.120 0.007 0.000 0.290 161 V C -0.828 175.427 176.094 0.269 0.000 1.017 161 V CA -0.472 61.954 62.300 0.209 0.000 0.841 161 V CB 0.744 32.669 31.823 0.171 0.000 1.003 161 V HN 0.561 nan 8.190 nan 0.000 0.426 162 F N 5.504 125.506 119.950 0.087 0.000 2.565 162 F HA 0.965 5.498 4.527 0.009 0.000 0.313 162 F C -2.919 172.928 175.800 0.079 0.000 1.091 162 F CA -2.964 55.088 58.000 0.086 0.000 0.915 162 F CB 1.726 40.773 39.000 0.078 0.000 1.208 162 F HN 0.272 nan 8.300 nan 0.000 0.453 163 P HA 0.171 nan 4.420 nan 0.000 0.282 163 P C -1.027 176.390 177.300 0.194 0.000 1.287 163 P CA -0.159 62.989 63.100 0.079 0.000 0.792 163 P CB 1.058 32.820 31.700 0.103 0.000 1.163 164 D N -0.997 119.501 120.400 0.165 0.000 2.382 164 D HA -0.021 4.623 4.640 0.007 0.000 0.240 164 D C 1.375 177.822 176.300 0.245 0.000 1.146 164 D CA -0.327 53.811 54.000 0.230 0.000 0.897 164 D CB 0.282 41.248 40.800 0.275 0.000 1.197 164 D HN 0.072 nan 8.370 nan 0.000 0.432 165 L N 3.323 124.686 121.223 0.233 0.000 2.021 165 L HA -0.063 4.281 4.340 0.007 0.000 0.215 165 L C 2.091 179.112 176.870 0.252 0.000 1.074 165 L CA 2.592 57.556 54.840 0.205 0.000 0.760 165 L CB -1.170 40.972 42.059 0.139 0.000 0.889 165 L HN 0.684 nan 8.230 nan 0.000 0.433 166 G N -1.509 107.504 108.800 0.355 0.000 2.442 166 G HA2 -0.207 3.757 3.960 0.007 0.000 0.219 166 G HA3 -0.207 3.757 3.960 0.007 0.000 0.219 166 G C 1.552 176.527 174.900 0.125 0.000 1.141 166 G CA 1.083 46.362 45.100 0.298 0.000 0.763 166 G HN 0.370 nan 8.290 nan 0.000 0.554 167 V N 0.333 120.324 119.914 0.128 0.000 2.307 167 V HA -0.115 4.010 4.120 0.007 0.000 0.245 167 V C 2.884 179.048 176.094 0.117 0.000 1.045 167 V CA 1.976 64.332 62.300 0.093 0.000 1.024 167 V CB -0.461 31.413 31.823 0.085 0.000 0.651 167 V HN 0.273 nan 8.190 nan 0.000 0.449 168 R N -0.412 120.170 120.500 0.137 0.000 2.105 168 R HA -0.145 4.199 4.340 0.007 0.000 0.239 168 R C 2.189 178.541 176.300 0.087 0.000 1.135 168 R CA 1.505 57.680 56.100 0.126 0.000 0.967 168 R CB -0.532 29.845 30.300 0.128 0.000 0.861 168 R HN 0.418 nan 8.270 nan 0.000 0.442 169 V N -0.027 119.932 119.914 0.074 0.000 2.255 169 V HA -0.366 3.759 4.120 0.007 0.000 0.247 169 V C 2.413 178.530 176.094 0.038 0.000 1.051 169 V CA 1.839 64.154 62.300 0.025 0.000 1.018 169 V CB -0.548 31.282 31.823 0.011 0.000 0.641 169 V HN 0.504 nan 8.190 nan 0.000 0.445 170 C N -0.173 119.186 119.300 0.098 0.000 2.403 170 C HA -0.188 4.276 4.460 0.007 0.000 0.277 170 C C 2.697 177.831 174.990 0.240 0.000 1.248 170 C CA 1.140 60.289 59.018 0.219 0.000 1.762 170 C CB -1.159 26.773 27.740 0.321 0.000 2.014 170 C HN 0.623 nan 8.230 nan 0.000 0.486 171 E N 0.630 120.934 120.200 0.174 0.000 2.070 171 E HA -0.251 4.104 4.350 0.007 0.000 0.197 171 E C 2.159 178.847 176.600 0.147 0.000 1.004 171 E CA 1.384 57.889 56.400 0.176 0.000 0.805 171 E CB -0.168 29.639 29.700 0.178 0.000 0.744 171 E HN 0.670 nan 8.360 nan 0.000 0.451 172 K N 0.287 120.743 120.400 0.094 0.000 2.025 172 K HA -0.080 4.244 4.320 0.007 0.000 0.207 172 K C 2.209 178.841 176.600 0.054 0.000 1.049 172 K CA 1.260 57.584 56.287 0.062 0.000 0.933 172 K CB -0.141 32.320 32.500 -0.066 0.000 0.714 172 K HN 0.097 nan 8.250 nan 0.000 0.438 173 M N 0.240 119.837 119.600 -0.004 0.000 2.144 173 M HA -0.189 4.295 4.480 0.007 0.000 0.260 173 M C 2.108 178.418 176.300 0.017 0.000 1.067 173 M CA 1.726 56.971 55.300 -0.092 0.000 1.095 173 M CB -0.180 32.214 32.600 -0.343 0.000 1.365 173 M HN 0.247 nan 8.290 nan 0.000 0.406 174 A N -1.481 121.438 122.820 0.165 0.000 2.252 174 A HA 0.296 4.620 4.320 0.007 0.000 0.213 174 A C 1.605 179.258 177.584 0.115 0.000 1.188 174 A CA 0.224 52.395 52.037 0.223 0.000 0.863 174 A CB 0.248 19.464 19.000 0.359 0.000 0.893 174 A HN 0.464 nan 8.150 nan 0.000 0.495 175 L N -3.207 118.075 121.223 0.098 0.000 3.076 175 L HA 0.184 4.529 4.340 0.007 0.000 0.271 175 L C 1.848 178.758 176.870 0.067 0.000 1.152 175 L CA 0.106 54.961 54.840 0.026 0.000 0.996 175 L CB -0.059 41.988 42.059 -0.021 0.000 1.453 175 L HN 0.367 nan 8.230 nan 0.000 0.571 176 Y N 1.822 122.126 120.300 0.008 0.000 2.081 176 Y HA -0.368 4.186 4.550 0.007 0.000 0.280 176 Y C 2.191 178.120 175.900 0.049 0.000 1.163 176 Y CA 2.390 60.514 58.100 0.040 0.000 1.135 176 Y CB -0.058 38.406 38.460 0.006 0.000 0.970 176 Y HN 0.226 nan 8.280 nan 0.000 0.498 177 D N -1.021 119.395 120.400 0.028 0.000 2.219 177 D HA -0.132 4.512 4.640 0.007 0.000 0.205 177 D C 2.120 178.365 176.300 -0.092 0.000 0.970 177 D CA 1.093 55.058 54.000 -0.059 0.000 0.851 177 D CB -0.061 40.749 40.800 0.018 0.000 0.943 177 D HN 0.263 nan 8.370 nan 0.000 0.488 178 V N -0.502 119.364 119.914 -0.079 0.000 2.283 178 V HA -0.147 3.977 4.120 0.007 0.000 0.243 178 V C 2.518 178.531 176.094 -0.136 0.000 1.039 178 V CA 1.032 63.273 62.300 -0.099 0.000 1.016 178 V CB -0.357 31.381 31.823 -0.141 0.000 0.650 178 V HN 0.101 nan 8.190 nan 0.000 0.449 179 V N 0.055 119.872 119.914 -0.161 0.000 2.515 179 V HA -0.177 3.948 4.120 0.007 0.000 0.250 179 V C 2.460 178.413 176.094 -0.235 0.000 1.058 179 V CA 2.194 64.388 62.300 -0.176 0.000 1.064 179 V CB -0.092 31.654 31.823 -0.128 0.000 0.675 179 V HN 0.596 nan 8.190 nan 0.000 0.461 180 S N -0.915 114.636 115.700 -0.248 0.000 2.481 180 S HA -0.103 4.372 4.470 0.007 0.000 0.231 180 S C 1.731 176.231 174.600 -0.167 0.000 0.996 180 S CA 1.502 59.565 58.200 -0.229 0.000 0.942 180 S CB -0.008 63.010 63.200 -0.303 0.000 0.768 180 S HN 0.712 nan 8.310 nan 0.000 0.520 181 T N 0.768 115.221 114.554 -0.168 0.000 3.028 181 T HA 0.296 4.650 4.350 0.007 0.000 0.250 181 T C 1.534 176.134 174.700 -0.167 0.000 0.979 181 T CA -0.251 61.768 62.100 -0.135 0.000 1.004 181 T CB -0.107 68.706 68.868 -0.091 0.000 1.120 181 T HN 0.186 nan 8.240 nan 0.000 0.482 182 L N 1.885 123.009 121.223 -0.166 0.000 2.109 182 L HA 0.086 4.430 4.340 0.007 0.000 0.207 182 L C -1.076 175.633 176.870 -0.268 0.000 1.086 182 L CA 1.072 55.821 54.840 -0.153 0.000 0.760 182 L CB -0.635 41.394 42.059 -0.050 0.000 0.910 182 L HN 0.098 nan 8.230 nan 0.000 0.437 183 P HA -0.231 nan 4.420 nan 0.000 0.216 183 P C 1.170 178.021 177.300 -0.749 0.000 1.150 183 P CA 1.397 64.078 63.100 -0.699 0.000 0.837 183 P CB 0.004 30.972 31.700 -1.221 0.000 0.786 184 Q N 0.442 119.860 119.800 -0.637 0.000 2.083 184 Q HA -0.057 4.287 4.340 0.007 0.000 0.198 184 Q C 1.983 177.860 176.000 -0.205 0.000 0.969 184 Q CA 2.056 57.674 55.803 -0.308 0.000 0.838 184 Q CB -1.513 27.149 28.738 -0.126 0.000 0.900 184 Q HN 0.084 nan 8.270 nan 0.000 0.436 185 A N 0.029 122.734 122.820 -0.192 0.000 1.978 185 A HA -0.082 4.242 4.320 0.007 0.000 0.220 185 A C 2.186 179.681 177.584 -0.148 0.000 1.170 185 A CA 1.706 53.661 52.037 -0.136 0.000 0.636 185 A CB -0.554 18.379 19.000 -0.112 0.000 0.810 185 A HN 0.288 nan 8.150 nan 0.000 0.448 186 V N -1.077 118.711 119.914 -0.211 0.000 2.426 186 V HA -0.079 4.045 4.120 0.007 0.000 0.242 186 V C 2.248 178.165 176.094 -0.295 0.000 1.036 186 V CA 1.885 64.048 62.300 -0.229 0.000 1.044 186 V CB -0.425 31.243 31.823 -0.259 0.000 0.688 186 V HN 0.560 nan 8.190 nan 0.000 0.462 187 M N -0.457 118.910 119.600 -0.389 0.000 2.428 187 M HA 0.388 4.872 4.480 0.007 0.000 0.239 187 M C 1.506 177.711 176.300 -0.158 0.000 1.121 187 M CA 0.758 55.783 55.300 -0.459 0.000 1.019 187 M CB 0.174 32.382 32.600 -0.654 0.000 1.485 187 M HN 0.416 nan 8.290 nan 0.000 0.484 188 G N 1.642 110.370 108.800 -0.120 0.000 2.660 188 G HA2 -0.412 3.552 3.960 0.007 0.000 0.321 188 G HA3 -0.412 3.552 3.960 0.007 0.000 0.321 188 G C 0.991 175.868 174.900 -0.040 0.000 1.246 188 G CA 1.069 46.137 45.100 -0.054 0.000 1.000 188 G HN 0.559 nan 8.290 nan 0.000 0.550 189 S N -0.619 115.078 115.700 -0.005 0.000 2.555 189 S HA 0.196 4.671 4.470 0.007 0.000 0.230 189 S C 2.090 176.620 174.600 -0.115 0.000 0.978 189 S CA 1.712 59.885 58.200 -0.045 0.000 0.934 189 S CB 0.185 63.418 63.200 0.055 0.000 0.766 189 S HN 0.784 nan 8.310 nan 0.000 0.533 190 S N 0.426 116.129 115.700 0.005 0.000 2.561 190 S HA 0.164 4.638 4.470 0.007 0.000 0.225 190 S C 0.072 174.701 174.600 0.048 0.000 0.977 190 S CA -0.250 57.991 58.200 0.069 0.000 0.926 190 S CB -0.353 63.004 63.200 0.261 0.000 0.769 190 S HN 0.705 nan 8.310 nan 0.000 0.533 191 Y N 2.724 122.927 120.300 -0.162 0.000 2.585 191 Y HA 0.448 5.002 4.550 0.007 0.000 0.354 191 Y C 1.307 177.063 175.900 -0.239 0.000 1.024 191 Y CA -1.308 56.685 58.100 -0.178 0.000 1.321 191 Y CB -0.157 38.193 38.460 -0.184 0.000 1.151 191 Y HN 0.083 nan 8.280 nan 0.000 0.525 192 G N 4.794 113.269 108.800 -0.541 0.000 2.529 192 G HA2 -0.345 3.619 3.960 0.007 0.000 0.219 192 G HA3 -0.345 3.619 3.960 0.007 0.000 0.219 192 G C 1.167 175.594 174.900 -0.788 0.000 1.177 192 G CA 0.951 45.674 45.100 -0.628 0.000 0.773 192 G HN 0.677 nan 8.290 nan 0.000 0.573 193 F N 1.768 121.107 119.950 -1.018 0.000 2.699 193 F HA 0.034 4.565 4.527 0.007 0.000 0.298 193 F C 2.883 178.510 175.800 -0.289 0.000 1.154 193 F CA 1.118 58.665 58.000 -0.755 0.000 1.457 193 F CB -0.158 38.380 39.000 -0.769 0.000 1.106 193 F HN 0.376 nan 8.300 nan 0.000 0.585 194 Q N -0.311 119.266 119.800 -0.373 0.000 2.369 194 Q HA -0.136 4.209 4.340 0.007 0.000 0.206 194 Q C -0.398 175.493 176.000 -0.182 0.000 0.963 194 Q CA 0.952 56.617 55.803 -0.229 0.000 0.894 194 Q CB -0.440 28.052 28.738 -0.410 0.000 0.965 194 Q HN 0.309 nan 8.270 nan 0.000 0.475 195 Y N 2.136 122.446 120.300 0.016 0.000 2.323 195 Y HA 0.275 4.829 4.550 0.007 0.000 0.331 195 Y C 0.626 176.406 175.900 -0.199 0.000 1.092 195 Y CA -1.136 56.912 58.100 -0.087 0.000 1.150 195 Y CB 1.393 39.757 38.460 -0.161 0.000 1.200 195 Y HN 0.103 nan 8.280 nan 0.000 0.472 196 S N 2.808 118.237 115.700 -0.452 0.000 2.614 196 S HA 0.280 4.754 4.470 0.007 0.000 0.265 196 S C -2.027 172.279 174.600 -0.489 0.000 1.303 196 S CA -1.137 56.370 58.200 -1.155 0.000 1.000 196 S CB 1.442 63.920 63.200 -1.203 0.000 0.935 196 S HN 0.403 nan 8.310 nan 0.000 0.551 197 P HA -0.156 nan 4.420 nan 0.000 0.214 197 P C 1.527 178.731 177.300 -0.161 0.000 1.163 197 P CA 1.361 64.331 63.100 -0.217 0.000 0.889 197 P CB 0.003 31.605 31.700 -0.163 0.000 0.790 198 K N -0.032 120.245 120.400 -0.206 0.000 2.001 198 K HA -0.263 4.062 4.320 0.007 0.000 0.214 198 K C 2.227 178.759 176.600 -0.114 0.000 1.050 198 K CA 1.949 58.167 56.287 -0.115 0.000 0.934 198 K CB -0.482 31.930 32.500 -0.147 0.000 0.718 198 K HN 0.108 nan 8.250 nan 0.000 0.443 199 Q N -0.166 119.547 119.800 -0.144 0.000 2.112 199 Q HA -0.230 4.114 4.340 0.007 0.000 0.206 199 Q C 2.290 178.146 176.000 -0.241 0.000 0.987 199 Q CA 1.829 57.566 55.803 -0.110 0.000 0.858 199 Q CB -0.188 28.559 28.738 0.016 0.000 0.905 199 Q HN 0.303 nan 8.270 nan 0.000 0.420 200 R N 0.200 120.560 120.500 -0.233 0.000 2.096 200 R HA -0.134 4.210 4.340 0.007 0.000 0.235 200 R C 2.080 178.276 176.300 -0.173 0.000 1.127 200 R CA 1.183 57.113 56.100 -0.283 0.000 0.968 200 R CB 0.005 30.220 30.300 -0.143 0.000 0.861 200 R HN 0.103 nan 8.270 nan 0.000 0.440 201 V N 1.090 120.930 119.914 -0.124 0.000 2.307 201 V HA -0.194 3.930 4.120 0.007 0.000 0.245 201 V C 1.970 177.986 176.094 -0.130 0.000 1.045 201 V CA 1.942 64.176 62.300 -0.110 0.000 1.024 201 V CB -0.511 31.281 31.823 -0.051 0.000 0.651 201 V HN 0.402 nan 8.190 nan 0.000 0.449 202 E N -0.342 119.799 120.200 -0.100 0.000 2.086 202 E HA -0.305 4.049 4.350 0.007 0.000 0.200 202 E C 2.033 178.572 176.600 -0.101 0.000 1.012 202 E CA 2.049 58.398 56.400 -0.085 0.000 0.812 202 E CB -0.311 29.360 29.700 -0.049 0.000 0.743 202 E HN 0.598 nan 8.360 nan 0.000 0.453 203 F N 1.012 120.791 119.950 -0.285 0.000 2.146 203 F HA -0.124 4.407 4.527 0.007 0.000 0.298 203 F C 1.925 177.603 175.800 -0.205 0.000 1.096 203 F CA 1.217 59.041 58.000 -0.294 0.000 1.275 203 F CB -0.060 38.614 39.000 -0.543 0.000 1.008 203 F HN -0.091 nan 8.300 nan 0.000 0.480 204 L N -1.063 120.048 121.223 -0.188 0.000 2.109 204 L HA -0.167 4.177 4.340 0.007 0.000 0.207 204 L C 2.310 179.043 176.870 -0.229 0.000 1.086 204 L CA 0.657 55.371 54.840 -0.210 0.000 0.760 204 L CB -0.760 41.218 42.059 -0.135 0.000 0.910 204 L HN -0.020 nan 8.230 nan 0.000 0.437 205 V N 0.019 119.769 119.914 -0.273 0.000 2.307 205 V HA -0.270 3.855 4.120 0.007 0.000 0.245 205 V C 2.057 178.031 176.094 -0.200 0.000 1.045 205 V CA 2.061 64.169 62.300 -0.319 0.000 1.024 205 V CB -0.657 30.877 31.823 -0.481 0.000 0.651 205 V HN 0.456 nan 8.190 nan 0.000 0.449 206 N N -0.276 118.296 118.700 -0.214 0.000 2.007 206 N HA -0.208 4.536 4.740 0.007 0.000 0.197 206 N C 1.869 177.257 175.510 -0.203 0.000 1.050 206 N CA 2.215 55.156 53.050 -0.182 0.000 0.856 206 N CB -0.304 38.072 38.487 -0.185 0.000 1.050 206 N HN 0.414 nan 8.380 nan 0.000 0.423 207 T N 0.311 114.647 114.554 -0.364 0.000 2.592 207 T HA -0.262 4.092 4.350 0.007 0.000 0.267 207 T C 1.350 175.954 174.700 -0.160 0.000 1.060 207 T CA 1.495 63.385 62.100 -0.351 0.000 1.167 207 T CB -0.542 68.001 68.868 -0.543 0.000 0.863 207 T HN 0.443 nan 8.240 nan 0.000 0.431 208 W N 2.096 123.233 121.300 -0.272 0.000 2.333 208 W HA -0.093 4.572 4.660 0.007 0.000 0.316 208 W C 1.948 178.378 176.519 -0.148 0.000 1.215 208 W CA 1.309 58.538 57.345 -0.194 0.000 1.278 208 W CB -0.329 29.012 29.460 -0.198 0.000 1.154 208 W HN 0.266 nan 8.180 nan 0.000 0.486 209 K N 0.348 120.818 120.400 0.117 0.000 2.362 209 K HA -0.115 4.210 4.320 0.007 0.000 0.200 209 K C 2.155 178.723 176.600 -0.052 0.000 1.046 209 K CA 1.500 57.814 56.287 0.045 0.000 0.952 209 K CB -0.172 32.353 32.500 0.042 0.000 0.753 209 K HN 0.122 nan 8.250 nan 0.000 0.466 210 S N 0.364 116.008 115.700 -0.092 0.000 2.446 210 S HA 0.013 4.487 4.470 0.007 0.000 0.225 210 S C 0.696 175.222 174.600 -0.123 0.000 1.016 210 S CA 0.145 58.287 58.200 -0.097 0.000 0.943 210 S CB 0.057 63.196 63.200 -0.102 0.000 0.786 210 S HN -0.061 nan 8.310 nan 0.000 0.508 211 K N 2.600 122.887 120.400 -0.188 0.000 2.448 211 K HA 0.228 4.552 4.320 0.007 0.000 0.278 211 K C 0.932 177.421 176.600 -0.184 0.000 1.009 211 K CA 0.123 56.278 56.287 -0.221 0.000 0.995 211 K CB 0.466 32.745 32.500 -0.368 0.000 0.917 211 K HN 0.286 nan 8.250 nan 0.000 0.481 212 K N 0.693 121.011 120.400 -0.136 0.000 2.026 212 K HA -0.096 4.228 4.320 0.007 0.000 0.208 212 K C 0.485 177.019 176.600 -0.111 0.000 1.048 212 K CA 1.161 57.388 56.287 -0.099 0.000 0.929 212 K CB 0.024 32.481 32.500 -0.072 0.000 0.713 212 K HN 0.507 nan 8.250 nan 0.000 0.439 213 C N 2.425 121.641 119.300 -0.139 0.000 3.078 213 C HA 0.345 4.810 4.460 0.007 0.000 0.320 213 C C -2.814 172.048 174.990 -0.213 0.000 1.039 213 C CA -2.315 56.620 59.018 -0.138 0.000 1.386 213 C CB 0.481 28.178 27.740 -0.073 0.000 1.836 213 C HN 0.172 nan 8.230 nan 0.000 0.514 214 P HA 0.223 nan 4.420 nan 0.000 0.276 214 P C -0.640 176.318 177.300 -0.570 0.000 1.230 214 P CA 0.226 62.872 63.100 -0.756 0.000 0.776 214 P CB 1.030 31.677 31.700 -1.755 0.000 0.888 215 M N 2.773 122.118 119.600 -0.426 0.000 2.465 215 M HA 0.660 5.144 4.480 0.007 0.000 0.316 215 M C -0.893 175.286 176.300 -0.201 0.000 1.121 215 M CA -0.356 54.752 55.300 -0.322 0.000 0.934 215 M CB 2.462 34.940 32.600 -0.204 0.000 1.692 215 M HN 0.534 nan 8.290 nan 0.000 0.444 216 G N 3.918 112.718 108.800 0.001 0.000 2.612 216 G HA2 0.794 4.759 3.960 0.007 0.000 0.298 216 G HA3 0.794 4.759 3.960 0.007 0.000 0.298 216 G C -1.892 173.107 174.900 0.166 0.000 1.336 216 G CA -0.555 44.629 45.100 0.139 0.000 0.953 216 G HN 0.770 nan 8.290 nan 0.000 0.482 217 F N -0.014 119.898 119.950 -0.064 0.000 2.645 217 F HA 0.838 5.369 4.527 0.007 0.000 0.310 217 F C -0.253 175.533 175.800 -0.023 0.000 1.102 217 F CA -1.515 56.449 58.000 -0.059 0.000 0.952 217 F CB 1.605 40.551 39.000 -0.090 0.000 1.326 217 F HN 0.653 nan 8.300 nan 0.000 0.456 218 S N 1.311 117.050 115.700 0.065 0.000 2.593 218 S HA 0.666 5.141 4.470 0.007 0.000 0.297 218 S C -1.667 173.098 174.600 0.274 0.000 1.112 218 S CA -0.558 57.656 58.200 0.023 0.000 1.043 218 S CB 1.578 64.796 63.200 0.029 0.000 1.054 218 S HN 0.926 nan 8.310 nan 0.000 0.516 219 Y N 1.437 121.817 120.300 0.134 0.000 2.331 219 Y HA 0.500 5.053 4.550 0.006 0.000 0.334 219 Y C -1.046 174.976 175.900 0.203 0.000 0.960 219 Y CA -0.610 57.659 58.100 0.282 0.000 1.130 219 Y CB 1.446 40.180 38.460 0.457 0.000 1.164 219 Y HN 0.864 nan 8.280 nan 0.000 0.458 220 D N 4.016 124.289 120.400 -0.212 0.000 2.256 220 D HA 0.236 4.880 4.640 0.007 0.000 0.240 220 D C -0.653 175.490 176.300 -0.261 0.000 1.062 220 D CA -0.133 53.793 54.000 -0.123 0.000 0.832 220 D CB 1.392 42.160 40.800 -0.053 0.000 1.135 220 D HN 0.559 nan 8.370 nan 0.000 0.484 221 T N 1.749 116.317 114.554 0.024 0.000 2.902 221 T HA 0.339 4.693 4.350 0.007 0.000 0.283 221 T C 1.288 176.063 174.700 0.126 0.000 1.009 221 T CA -0.644 61.524 62.100 0.112 0.000 1.051 221 T CB 1.649 70.764 68.868 0.412 0.000 0.999 221 T HN 0.416 nan 8.240 nan 0.000 0.474 222 R N 1.399 121.943 120.500 0.072 0.000 2.196 222 R HA -0.081 4.263 4.340 0.007 0.000 0.227 222 R C 0.135 176.529 176.300 0.156 0.000 1.108 222 R CA 1.874 58.007 56.100 0.054 0.000 0.884 222 R CB -0.737 29.532 30.300 -0.053 0.000 0.839 222 R HN 0.744 nan 8.270 nan 0.000 0.431 223 C N -0.031 119.420 119.300 0.251 0.000 2.521 223 C HA 0.228 4.692 4.460 0.007 0.000 0.291 223 C C 0.900 176.085 174.990 0.325 0.000 1.074 223 C CA -1.258 57.952 59.018 0.320 0.000 1.495 223 C CB -0.596 27.387 27.740 0.405 0.000 1.862 223 C HN 0.538 nan 8.230 nan 0.000 0.418 224 F N 2.183 122.250 119.950 0.195 0.000 2.085 224 F HA -0.249 4.284 4.527 0.010 0.000 0.299 224 F C 1.909 177.812 175.800 0.171 0.000 1.096 224 F CA 2.281 60.391 58.000 0.183 0.000 1.227 224 F CB 0.186 39.284 39.000 0.164 0.000 0.983 224 F HN 0.533 nan 8.300 nan 0.000 0.482 225 D N -0.654 119.958 120.400 0.352 0.000 2.117 225 D HA -0.144 4.500 4.640 0.007 0.000 0.197 225 D C 2.435 178.795 176.300 0.099 0.000 0.987 225 D CA 1.683 55.829 54.000 0.243 0.000 0.829 225 D CB -0.410 40.544 40.800 0.257 0.000 0.961 225 D HN 0.252 nan 8.370 nan 0.000 0.460 226 S N -0.505 115.260 115.700 0.109 0.000 2.436 226 S HA -0.085 4.389 4.470 0.007 0.000 0.228 226 S C 2.062 176.601 174.600 -0.102 0.000 1.014 226 S CA 1.250 59.405 58.200 -0.075 0.000 0.950 226 S CB -0.152 62.952 63.200 -0.161 0.000 0.784 226 S HN 0.491 nan 8.310 nan 0.000 0.504 227 T N -0.078 114.524 114.554 0.081 0.000 3.035 227 T HA 0.083 4.437 4.350 0.007 0.000 0.268 227 T C 0.722 175.361 174.700 -0.103 0.000 1.109 227 T CA 0.174 62.313 62.100 0.066 0.000 1.119 227 T CB -0.526 68.365 68.868 0.038 0.000 0.900 227 T HN 0.062 nan 8.240 nan 0.000 0.503 228 V N 4.264 124.077 119.914 -0.169 0.000 2.409 228 V HA 0.205 4.329 4.120 0.007 0.000 0.270 228 V C 1.296 177.340 176.094 -0.084 0.000 1.019 228 V CA -0.026 62.190 62.300 -0.140 0.000 1.066 228 V CB -0.637 31.140 31.823 -0.076 0.000 1.021 228 V HN 0.752 nan 8.190 nan 0.000 0.476 229 T N 1.488 116.004 114.554 -0.064 0.000 2.788 229 T HA 0.201 4.556 4.350 0.007 0.000 0.280 229 T C 1.200 175.882 174.700 -0.030 0.000 0.984 229 T CA 0.085 62.154 62.100 -0.052 0.000 0.972 229 T CB 1.026 69.870 68.868 -0.040 0.000 1.039 229 T HN 0.787 nan 8.240 nan 0.000 0.530 230 E N 0.177 120.362 120.200 -0.025 0.000 2.208 230 E HA -0.126 4.228 4.350 0.007 0.000 0.193 230 E C 2.103 178.708 176.600 0.008 0.000 0.988 230 E CA 1.141 57.540 56.400 -0.002 0.000 0.828 230 E CB -0.355 29.345 29.700 -0.001 0.000 0.763 230 E HN 0.600 nan 8.360 nan 0.000 0.478 231 S N 0.898 116.597 115.700 -0.003 0.000 2.359 231 S HA -0.209 4.265 4.470 0.007 0.000 0.224 231 S C 1.373 175.986 174.600 0.021 0.000 1.035 231 S CA 1.883 60.085 58.200 0.003 0.000 1.018 231 S CB -0.494 62.695 63.200 -0.018 0.000 0.876 231 S HN 0.377 nan 8.310 nan 0.000 0.448 232 D N 1.011 121.422 120.400 0.018 0.000 2.144 232 D HA -0.026 4.618 4.640 0.007 0.000 0.199 232 D C 1.790 178.112 176.300 0.037 0.000 0.984 232 D CA 1.164 55.190 54.000 0.044 0.000 0.834 232 D CB -0.366 40.452 40.800 0.030 0.000 0.955 232 D HN 0.490 nan 8.370 nan 0.000 0.465 233 I N 0.020 120.612 120.570 0.036 0.000 2.439 233 I HA -0.129 4.046 4.170 0.007 0.000 0.251 233 I C 2.382 178.530 176.117 0.051 0.000 1.139 233 I CA 0.598 61.930 61.300 0.053 0.000 1.438 233 I CB 0.045 38.092 38.000 0.078 0.000 1.085 233 I HN -0.140 nan 8.210 nan 0.000 0.427 234 R N 0.104 120.628 120.500 0.040 0.000 2.066 234 R HA -0.099 4.246 4.340 0.007 0.000 0.232 234 R C 2.332 178.632 176.300 -0.000 0.000 1.131 234 R CA 1.155 57.274 56.100 0.031 0.000 0.955 234 R CB -0.369 29.948 30.300 0.028 0.000 0.851 234 R HN 0.108 nan 8.270 nan 0.000 0.432 235 V N 1.269 121.183 119.914 0.001 0.000 2.324 235 V HA -0.295 3.830 4.120 0.007 0.000 0.250 235 V C 2.289 178.316 176.094 -0.111 0.000 1.060 235 V CA 2.191 64.478 62.300 -0.022 0.000 1.042 235 V CB -0.470 31.376 31.823 0.038 0.000 0.650 235 V HN 0.463 nan 8.190 nan 0.000 0.450 236 E N -0.217 119.899 120.200 -0.140 0.000 2.106 236 E HA -0.268 4.086 4.350 0.007 0.000 0.192 236 E C 2.253 178.483 176.600 -0.617 0.000 0.984 236 E CA 1.429 57.625 56.400 -0.341 0.000 0.806 236 E CB -0.118 29.457 29.700 -0.209 0.000 0.750 236 E HN 0.714 nan 8.360 nan 0.000 0.458 237 E N 0.411 120.470 120.200 -0.236 0.000 2.038 237 E HA -0.211 4.143 4.350 0.007 0.000 0.195 237 E C 2.188 178.744 176.600 -0.073 0.000 1.000 237 E CA 1.712 58.091 56.400 -0.035 0.000 0.803 237 E CB -0.149 29.616 29.700 0.110 0.000 0.750 237 E HN 0.324 nan 8.360 nan 0.000 0.448 238 S N 0.411 116.067 115.700 -0.073 0.000 2.402 238 S HA -0.190 4.284 4.470 0.007 0.000 0.233 238 S C 2.053 176.608 174.600 -0.075 0.000 1.030 238 S CA 1.271 59.443 58.200 -0.047 0.000 1.003 238 S CB -0.625 62.553 63.200 -0.036 0.000 0.813 238 S HN 0.316 nan 8.310 nan 0.000 0.477 239 I N 0.093 120.561 120.570 -0.171 0.000 2.163 239 I HA -0.138 4.036 4.170 0.007 0.000 0.240 239 I C 2.374 178.441 176.117 -0.083 0.000 1.081 239 I CA 1.475 62.672 61.300 -0.172 0.000 1.353 239 I CB -0.616 37.226 38.000 -0.264 0.000 1.054 239 I HN 0.223 nan 8.210 nan 0.000 0.407 240 Y N 1.100 121.388 120.300 -0.019 0.000 2.193 240 Y HA -0.264 4.290 4.550 0.007 0.000 0.285 240 Y C 2.579 178.477 175.900 -0.004 0.000 1.166 240 Y CA 0.863 58.955 58.100 -0.013 0.000 1.181 240 Y CB -1.024 37.440 38.460 0.006 0.000 0.976 240 Y HN 0.278 nan 8.280 nan 0.000 0.520 241 Q N -1.396 118.489 119.800 0.141 0.000 2.488 241 Q HA -0.069 4.276 4.340 0.007 0.000 0.211 241 Q C 2.002 178.030 176.000 0.047 0.000 0.967 241 Q CA 0.718 56.572 55.803 0.085 0.000 0.926 241 Q CB -0.537 28.238 28.738 0.062 0.000 0.992 241 Q HN 0.527 nan 8.270 nan 0.000 0.506 242 C N 0.152 119.472 119.300 0.033 0.000 2.500 242 C HA 0.051 4.516 4.460 0.007 0.000 0.273 242 C C 1.346 176.347 174.990 0.018 0.000 1.428 242 C CA -0.791 58.235 59.018 0.014 0.000 1.766 242 C CB -0.826 26.910 27.740 -0.006 0.000 1.817 242 C HN 0.382 nan 8.230 nan 0.000 0.543 243 C N 1.627 120.948 119.300 0.035 0.000 2.605 243 C HA 0.270 4.734 4.460 0.007 0.000 0.404 243 C C 0.415 175.421 174.990 0.026 0.000 1.284 243 C CA -0.606 58.428 59.018 0.028 0.000 2.199 243 C CB -0.260 27.502 27.740 0.038 0.000 2.647 243 C HN 0.504 nan 8.230 nan 0.000 0.604 244 D N 1.348 121.759 120.400 0.018 0.000 2.434 244 D HA 0.388 5.033 4.640 0.007 0.000 0.252 244 D C -0.776 175.539 176.300 0.024 0.000 1.185 244 D CA 0.542 54.553 54.000 0.019 0.000 0.886 244 D CB 0.105 40.913 40.800 0.013 0.000 1.148 244 D HN 0.387 nan 8.370 nan 0.000 0.483 245 L N 2.970 124.212 121.223 0.030 0.000 2.408 245 L HA 0.617 4.961 4.340 0.007 0.000 0.268 245 L C 0.368 177.262 176.870 0.041 0.000 0.986 245 L CA -1.410 53.453 54.840 0.038 0.000 0.820 245 L CB 1.836 43.923 42.059 0.047 0.000 1.303 245 L HN 0.422 nan 8.230 nan 0.000 0.411 246 A N 3.842 126.690 122.820 0.047 0.000 2.615 246 A HA 0.172 4.497 4.320 0.007 0.000 0.230 246 A C -1.445 176.174 177.584 0.059 0.000 1.062 246 A CA -0.299 51.770 52.037 0.053 0.000 0.758 246 A CB -0.392 18.647 19.000 0.065 0.000 0.995 246 A HN 0.685 nan 8.150 nan 0.000 0.511 247 P HA -0.114 nan 4.420 nan 0.000 0.219 247 P C 0.928 178.253 177.300 0.043 0.000 1.150 247 P CA 1.380 64.504 63.100 0.039 0.000 0.814 247 P CB 0.087 31.805 31.700 0.029 0.000 0.787 248 E N 0.017 120.270 120.200 0.088 0.000 2.110 248 E HA -0.119 4.235 4.350 0.007 0.000 0.193 248 E C 2.152 178.813 176.600 0.102 0.000 0.988 248 E CA 1.220 57.688 56.400 0.114 0.000 0.804 248 E CB -0.382 29.513 29.700 0.325 0.000 0.745 248 E HN 0.198 nan 8.360 nan 0.000 0.458 249 A N 1.169 124.088 122.820 0.164 0.000 1.929 249 A HA -0.132 4.193 4.320 0.007 0.000 0.216 249 A C 2.053 179.674 177.584 0.062 0.000 1.176 249 A CA 1.050 53.179 52.037 0.155 0.000 0.628 249 A CB -0.283 18.807 19.000 0.150 0.000 0.816 249 A HN 0.051 nan 8.150 nan 0.000 0.444 250 R N -0.797 119.730 120.500 0.044 0.000 2.073 250 R HA -0.197 4.147 4.340 0.007 0.000 0.234 250 R C 2.369 178.669 176.300 0.001 0.000 1.134 250 R CA 1.892 58.010 56.100 0.030 0.000 0.952 250 R CB -0.230 30.087 30.300 0.027 0.000 0.850 250 R HN 0.500 nan 8.270 nan 0.000 0.433 251 Q N 0.251 120.031 119.800 -0.032 0.000 2.119 251 Q HA -0.048 4.296 4.340 0.007 0.000 0.201 251 Q C 1.716 177.637 176.000 -0.132 0.000 0.972 251 Q CA 2.002 57.757 55.803 -0.079 0.000 0.847 251 Q CB -0.205 28.470 28.738 -0.105 0.000 0.903 251 Q HN 0.433 nan 8.270 nan 0.000 0.433 252 A N 0.206 122.924 122.820 -0.170 0.000 1.873 252 A HA -0.122 4.203 4.320 0.007 0.000 0.215 252 A C 2.126 179.655 177.584 -0.093 0.000 1.186 252 A CA 1.440 53.340 52.037 -0.228 0.000 0.616 252 A CB -0.782 18.048 19.000 -0.283 0.000 0.823 252 A HN 0.456 nan 8.150 nan 0.000 0.442 253 I N -0.855 119.709 120.570 -0.009 0.000 2.248 253 I HA -0.294 3.880 4.170 0.007 0.000 0.248 253 I C 2.684 178.832 176.117 0.051 0.000 1.107 253 I CA 1.841 63.175 61.300 0.057 0.000 1.373 253 I CB -0.241 37.810 38.000 0.085 0.000 1.055 253 I HN 0.304 nan 8.210 nan 0.000 0.418 254 R N 0.835 121.340 120.500 0.009 0.000 2.075 254 R HA -0.085 4.259 4.340 0.007 0.000 0.232 254 R C 2.319 178.597 176.300 -0.037 0.000 1.126 254 R CA 1.862 57.963 56.100 0.003 0.000 0.963 254 R CB -0.436 29.857 30.300 -0.012 0.000 0.858 254 R HN 0.160 nan 8.270 nan 0.000 0.435 255 S N 0.338 115.987 115.700 -0.086 0.000 2.357 255 S HA -0.029 4.445 4.470 0.007 0.000 0.221 255 S C 1.815 176.318 174.600 -0.163 0.000 1.031 255 S CA 1.217 59.345 58.200 -0.120 0.000 0.982 255 S CB -0.279 62.826 63.200 -0.158 0.000 0.853 255 S HN 0.241 nan 8.310 nan 0.000 0.458 256 L N 1.242 122.343 121.223 -0.204 0.000 2.081 256 L HA -0.178 4.167 4.340 0.007 0.000 0.212 256 L C 2.650 179.184 176.870 -0.561 0.000 1.080 256 L CA 1.274 55.868 54.840 -0.410 0.000 0.754 256 L CB -1.119 40.714 42.059 -0.376 0.000 0.893 256 L HN 0.331 nan 8.230 nan 0.000 0.433 257 T N -1.343 113.104 114.554 -0.179 0.000 2.708 257 T HA -0.157 4.198 4.350 0.007 0.000 0.266 257 T C 1.821 176.509 174.700 -0.021 0.000 1.037 257 T CA 1.109 63.232 62.100 0.039 0.000 1.146 257 T CB -0.123 68.845 68.868 0.166 0.000 0.865 257 T HN 0.253 nan 8.240 nan 0.000 0.435 258 E N 1.052 121.227 120.200 -0.042 0.000 2.072 258 E HA -0.028 4.327 4.350 0.007 0.000 0.191 258 E C 2.498 179.066 176.600 -0.053 0.000 0.985 258 E CA 0.988 57.369 56.400 -0.032 0.000 0.801 258 E CB -0.099 29.581 29.700 -0.033 0.000 0.750 258 E HN 0.426 nan 8.360 nan 0.000 0.452 259 R N -0.551 119.886 120.500 -0.104 0.000 2.112 259 R HA 0.052 4.397 4.340 0.007 0.000 0.216 259 R C 2.115 178.339 176.300 -0.126 0.000 1.080 259 R CA 0.452 56.492 56.100 -0.101 0.000 0.996 259 R CB -0.007 30.224 30.300 -0.116 0.000 0.902 259 R HN 0.086 nan 8.270 nan 0.000 0.449 260 L N -1.322 119.767 121.223 -0.222 0.000 2.590 260 L HA 0.138 4.482 4.340 0.007 0.000 0.181 260 L C 1.596 178.401 176.870 -0.109 0.000 1.134 260 L CA 1.098 55.801 54.840 -0.229 0.000 0.850 260 L CB -0.483 41.354 42.059 -0.370 0.000 1.172 260 L HN -0.090 nan 8.230 nan 0.000 0.498 261 Y N -0.256 120.052 120.300 0.014 0.000 2.314 261 Y HA -0.009 4.545 4.550 0.006 0.000 0.293 261 Y C 2.557 178.460 175.900 0.005 0.000 1.129 261 Y CA 0.943 59.058 58.100 0.026 0.000 1.201 261 Y CB -0.739 37.759 38.460 0.064 0.000 0.999 261 Y HN 0.182 nan 8.280 nan 0.000 0.541 262 I N -0.779 119.865 120.570 0.124 0.000 2.676 262 I HA 0.084 4.258 4.170 0.007 0.000 0.259 262 I C 0.936 177.059 176.117 0.010 0.000 1.194 262 I CA 1.217 62.557 61.300 0.066 0.000 1.473 262 I CB -0.241 37.790 38.000 0.050 0.000 1.096 262 I HN 0.309 nan 8.210 nan 0.000 0.443 263 G N -0.837 107.946 108.800 -0.029 0.000 2.356 263 G HA2 0.421 4.385 3.960 0.007 0.000 0.300 263 G HA3 0.421 4.385 3.960 0.007 0.000 0.300 263 G C -0.792 173.956 174.900 -0.254 0.000 1.331 263 G CA -0.273 44.742 45.100 -0.141 0.000 0.905 263 G HN 0.535 nan 8.290 nan 0.000 0.587 264 G N -0.929 107.479 108.800 -0.654 0.000 2.321 264 G HA2 0.698 4.663 3.960 0.007 0.000 0.298 264 G HA3 0.698 4.663 3.960 0.007 0.000 0.298 264 G C -3.455 170.855 174.900 -0.984 0.000 1.385 264 G CA 0.146 44.795 45.100 -0.752 0.000 0.856 264 G HN 0.840 nan 8.290 nan 0.000 0.584 265 P HA 0.433 nan 4.420 nan 0.000 0.271 265 P C -0.574 176.642 177.300 -0.140 0.000 1.216 265 P CA -0.041 62.947 63.100 -0.185 0.000 0.776 265 P CB 1.155 32.889 31.700 0.057 0.000 0.881 266 L N 2.584 123.766 121.223 -0.070 0.000 2.341 266 L HA 0.471 4.815 4.340 0.007 0.000 0.278 266 L C 0.565 177.446 176.870 0.018 0.000 1.005 266 L CA -0.258 54.566 54.840 -0.027 0.000 0.818 266 L CB 1.860 43.929 42.059 0.017 0.000 1.259 266 L HN 0.289 nan 8.230 nan 0.000 0.418 267 T N 0.940 115.489 114.554 -0.008 0.000 2.885 267 T HA 0.406 4.760 4.350 0.007 0.000 0.285 267 T C -0.289 174.410 174.700 -0.002 0.000 1.019 267 T CA -0.872 61.227 62.100 -0.001 0.000 1.010 267 T CB 1.632 70.483 68.868 -0.030 0.000 1.022 267 T HN 0.638 nan 8.240 nan 0.000 0.466 268 N N 0.101 118.812 118.700 0.018 0.000 2.448 268 N HA 0.211 4.956 4.740 0.007 0.000 0.274 268 N C 1.552 177.065 175.510 0.004 0.000 1.239 268 N CA -0.444 52.618 53.050 0.020 0.000 0.982 268 N CB 0.133 38.640 38.487 0.034 0.000 1.199 268 N HN 0.462 nan 8.380 nan 0.000 0.576 269 S N -0.352 115.359 115.700 0.019 0.000 2.380 269 S HA -0.211 4.264 4.470 0.007 0.000 0.229 269 S C 1.109 175.714 174.600 0.008 0.000 1.043 269 S CA 1.300 59.514 58.200 0.023 0.000 1.038 269 S CB -0.382 62.840 63.200 0.037 0.000 0.872 269 S HN 0.605 nan 8.310 nan 0.000 0.456 270 K N -0.106 120.298 120.400 0.007 0.000 2.444 270 K HA 0.207 4.531 4.320 0.007 0.000 0.193 270 K C 1.358 177.954 176.600 -0.007 0.000 1.024 270 K CA 0.529 56.817 56.287 0.001 0.000 1.077 270 K CB 0.007 32.510 32.500 0.006 0.000 0.833 270 K HN 0.602 nan 8.250 nan 0.000 0.517 271 G N 1.412 110.207 108.800 -0.010 0.000 2.179 271 G HA2 -0.246 3.718 3.960 0.007 0.000 0.220 271 G HA3 -0.246 3.718 3.960 0.007 0.000 0.220 271 G C -0.172 174.725 174.900 -0.004 0.000 0.990 271 G CA -0.400 44.689 45.100 -0.017 0.000 0.646 271 G HN 0.317 nan 8.290 nan 0.000 0.517 272 Q N 0.463 120.268 119.800 0.008 0.000 2.327 272 Q HA 0.279 4.624 4.340 0.007 0.000 0.254 272 Q C 0.519 176.539 176.000 0.034 0.000 0.952 272 Q CA -0.317 55.499 55.803 0.021 0.000 0.884 272 Q CB 0.753 29.508 28.738 0.028 0.000 1.224 272 Q HN 0.446 nan 8.270 nan 0.000 0.422 273 N N 0.946 119.671 118.700 0.041 0.000 2.454 273 N HA -0.061 4.684 4.740 0.007 0.000 0.260 273 N C -0.207 175.354 175.510 0.086 0.000 1.218 273 N CA -0.263 52.822 53.050 0.058 0.000 0.904 273 N CB 0.506 39.027 38.487 0.057 0.000 1.065 273 N HN 0.574 nan 8.380 nan 0.000 0.462 274 C N 2.542 121.910 119.300 0.112 0.000 2.937 274 C HA 0.523 4.987 4.460 0.007 0.000 0.426 274 C C 0.847 176.000 174.990 0.272 0.000 1.321 274 C CA 0.750 59.878 59.018 0.184 0.000 2.082 274 C CB -0.628 27.223 27.740 0.185 0.000 2.834 274 C HN 0.946 nan 8.230 nan 0.000 0.593 275 G N -1.243 107.647 108.800 0.151 0.000 2.344 275 G HA2 0.353 4.317 3.960 0.007 0.000 0.282 275 G HA3 0.353 4.317 3.960 0.007 0.000 0.282 275 G C -2.273 172.632 174.900 0.009 0.000 1.281 275 G CA -0.178 44.939 45.100 0.028 0.000 0.877 275 G HN 0.175 nan 8.290 nan 0.000 0.494 276 Y N 0.192 120.329 120.300 -0.272 0.000 2.534 276 Y HA 0.780 5.337 4.550 0.013 0.000 0.345 276 Y C -0.176 175.585 175.900 -0.231 0.000 1.031 276 Y CA -0.912 57.075 58.100 -0.188 0.000 1.022 276 Y CB 2.140 40.510 38.460 -0.151 0.000 1.292 276 Y HN 0.696 nan 8.280 nan 0.000 0.459 277 R N 4.244 124.405 120.500 -0.566 0.000 2.514 277 R HA 0.538 4.883 4.340 0.007 0.000 0.301 277 R C -0.376 175.691 176.300 -0.387 0.000 0.962 277 R CA -0.519 55.304 56.100 -0.461 0.000 0.882 277 R CB 1.018 31.128 30.300 -0.317 0.000 1.143 277 R HN 0.933 nan 8.270 nan 0.000 0.452 278 R N 2.268 122.534 120.500 -0.390 0.000 2.549 278 R HA 0.174 4.518 4.340 0.007 0.000 0.344 278 R C 0.038 176.203 176.300 -0.226 0.000 0.979 278 R CA -0.134 55.839 56.100 -0.212 0.000 1.140 278 R CB 0.597 30.818 30.300 -0.131 0.000 1.377 278 R HN 0.721 nan 8.270 nan 0.000 0.541 279 C N -0.921 118.187 119.300 -0.320 0.000 3.188 279 C HA 0.610 5.075 4.460 0.007 0.000 0.379 279 C C 0.352 175.279 174.990 -0.106 0.000 2.263 279 C CA -1.345 57.543 59.018 -0.217 0.000 1.616 279 C CB 0.920 28.480 27.740 -0.299 0.000 2.632 279 C HN 0.282 nan 8.230 nan 0.000 0.488 280 R N 0.938 121.425 120.500 -0.021 0.000 2.537 280 R HA 0.494 4.838 4.340 0.007 0.000 0.280 280 R C -0.053 176.307 176.300 0.100 0.000 1.058 280 R CA 0.653 56.792 56.100 0.065 0.000 1.057 280 R CB 0.234 30.607 30.300 0.122 0.000 0.973 280 R HN 1.037 nan 8.270 nan 0.000 0.438 281 A N 3.011 125.907 122.820 0.127 0.000 2.328 281 A HA 0.202 4.526 4.320 0.007 0.000 0.284 281 A C 0.867 178.553 177.584 0.171 0.000 1.160 281 A CA -0.128 52.005 52.037 0.160 0.000 0.818 281 A CB 0.754 19.857 19.000 0.172 0.000 1.087 281 A HN 0.988 nan 8.150 nan 0.000 0.504 282 S N 1.819 117.633 115.700 0.189 0.000 2.561 282 S HA 0.122 4.596 4.470 0.007 0.000 0.225 282 S C 0.994 175.694 174.600 0.167 0.000 0.977 282 S CA 0.650 58.957 58.200 0.177 0.000 0.926 282 S CB 0.099 63.410 63.200 0.184 0.000 0.769 282 S HN 1.284 nan 8.310 nan 0.000 0.533 283 G N 1.597 110.514 108.800 0.196 0.000 4.547 283 G HA2 0.522 4.487 3.960 0.007 0.000 0.301 283 G HA3 0.522 4.487 3.960 0.007 0.000 0.301 283 G C -0.174 174.851 174.900 0.208 0.000 1.240 283 G CA -0.081 45.143 45.100 0.206 0.000 0.970 283 G HN 0.550 nan 8.290 nan 0.000 0.574 284 V N -2.567 117.449 119.914 0.171 0.000 3.113 284 V HA 0.608 4.732 4.120 0.007 0.000 0.316 284 V C 1.188 177.349 176.094 0.112 0.000 1.125 284 V CA -0.970 61.436 62.300 0.178 0.000 1.026 284 V CB 1.750 33.713 31.823 0.233 0.000 1.080 284 V HN 0.028 nan 8.190 nan 0.000 0.444 285 L N 1.876 123.169 121.223 0.116 0.000 2.291 285 L HA 0.075 4.419 4.340 0.007 0.000 0.214 285 L C 2.047 178.925 176.870 0.013 0.000 1.120 285 L CA 2.744 57.643 54.840 0.098 0.000 0.799 285 L CB -0.659 41.481 42.059 0.135 0.000 0.925 285 L HN 1.068 nan 8.230 nan 0.000 0.446 286 T N -5.691 108.802 114.554 -0.100 0.000 3.122 286 T HA 0.006 4.361 4.350 0.007 0.000 0.250 286 T C 1.613 176.252 174.700 -0.102 0.000 1.067 286 T CA 0.653 62.648 62.100 -0.175 0.000 0.966 286 T CB -0.475 68.133 68.868 -0.434 0.000 1.002 286 T HN 0.286 nan 8.240 nan 0.000 0.542 287 T N 1.214 115.742 114.554 -0.043 0.000 2.770 287 T HA -0.120 4.235 4.350 0.007 0.000 0.263 287 T C 2.190 176.906 174.700 0.027 0.000 1.039 287 T CA 1.842 63.953 62.100 0.018 0.000 1.142 287 T CB -0.688 68.220 68.868 0.067 0.000 0.868 287 T HN 0.445 nan 8.240 nan 0.000 0.435 288 S N -0.446 115.243 115.700 -0.018 0.000 2.348 288 S HA -0.138 4.336 4.470 0.007 0.000 0.221 288 S C 2.538 177.123 174.600 -0.025 0.000 1.033 288 S CA 1.713 59.877 58.200 -0.060 0.000 1.010 288 S CB -1.209 61.855 63.200 -0.227 0.000 0.891 288 S HN 0.771 nan 8.310 nan 0.000 0.442 289 C N 1.313 120.583 119.300 -0.050 0.000 2.446 289 C HA 0.168 4.632 4.460 0.007 0.000 0.277 289 C C 2.829 177.854 174.990 0.058 0.000 1.275 289 C CA 1.027 60.039 59.018 -0.010 0.000 1.727 289 C CB -1.832 25.883 27.740 -0.042 0.000 2.010 289 C HN 0.692 nan 8.230 nan 0.000 0.486 290 G N 0.694 109.542 108.800 0.080 0.000 2.418 290 G HA2 -0.193 3.771 3.960 0.007 0.000 0.217 290 G HA3 -0.193 3.771 3.960 0.007 0.000 0.217 290 G C 1.519 176.499 174.900 0.134 0.000 1.158 290 G CA 1.088 46.248 45.100 0.100 0.000 0.771 290 G HN 0.588 nan 8.290 nan 0.000 0.545 291 N N 0.515 119.301 118.700 0.143 0.000 2.039 291 N HA -0.088 4.657 4.740 0.007 0.000 0.193 291 N C 2.451 177.996 175.510 0.058 0.000 1.044 291 N CA 1.701 54.846 53.050 0.158 0.000 0.847 291 N CB -1.078 37.400 38.487 -0.014 0.000 1.030 291 N HN 0.196 nan 8.380 nan 0.000 0.422 292 T N 2.026 116.618 114.554 0.063 0.000 2.649 292 T HA -0.145 4.210 4.350 0.007 0.000 0.268 292 T C 2.067 176.852 174.700 0.141 0.000 1.036 292 T CA 1.079 63.253 62.100 0.123 0.000 1.157 292 T CB -0.396 68.631 68.868 0.265 0.000 0.861 292 T HN 0.147 nan 8.240 nan 0.000 0.445 293 L N 0.299 121.583 121.223 0.101 0.000 2.027 293 L HA -0.092 4.252 4.340 0.007 0.000 0.206 293 L C 2.996 179.955 176.870 0.148 0.000 1.074 293 L CA 1.292 56.175 54.840 0.073 0.000 0.745 293 L CB -1.039 41.006 42.059 -0.024 0.000 0.898 293 L HN 0.260 nan 8.230 nan 0.000 0.433 294 T N -1.045 113.621 114.554 0.187 0.000 2.699 294 T HA -0.288 4.066 4.350 0.007 0.000 0.268 294 T C 2.017 176.911 174.700 0.323 0.000 1.036 294 T CA 1.630 63.879 62.100 0.248 0.000 1.147 294 T CB -0.557 68.518 68.868 0.344 0.000 0.862 294 T HN 0.477 nan 8.240 nan 0.000 0.446 295 C N 0.462 120.006 119.300 0.407 0.000 2.473 295 C HA -0.093 4.371 4.460 0.007 0.000 0.279 295 C C 2.370 177.506 174.990 0.242 0.000 1.250 295 C CA 0.704 59.947 59.018 0.374 0.000 1.713 295 C CB -1.497 26.339 27.740 0.161 0.000 2.066 295 C HN 0.644 nan 8.230 nan 0.000 0.474 296 Y N 1.223 121.582 120.300 0.099 0.000 2.132 296 Y HA -0.250 4.305 4.550 0.007 0.000 0.280 296 Y C 2.162 178.080 175.900 0.031 0.000 1.193 296 Y CA 2.416 60.552 58.100 0.060 0.000 1.157 296 Y CB -0.591 37.889 38.460 0.034 0.000 0.966 296 Y HN 0.408 nan 8.280 nan 0.000 0.511 297 L N 0.691 122.000 121.223 0.142 0.000 2.027 297 L HA -0.123 4.221 4.340 0.007 0.000 0.206 297 L C 2.152 178.948 176.870 -0.123 0.000 1.074 297 L CA 1.919 56.743 54.840 -0.027 0.000 0.745 297 L CB -0.861 41.160 42.059 -0.065 0.000 0.898 297 L HN 0.127 nan 8.230 nan 0.000 0.433 298 K N -0.311 120.085 120.400 -0.007 0.000 2.025 298 K HA -0.057 4.267 4.320 0.007 0.000 0.207 298 K C 2.102 178.719 176.600 0.028 0.000 1.049 298 K CA 1.344 57.632 56.287 0.001 0.000 0.933 298 K CB -0.449 32.137 32.500 0.144 0.000 0.714 298 K HN 0.469 nan 8.250 nan 0.000 0.438 299 A N 0.988 123.821 122.820 0.021 0.000 1.933 299 A HA -0.153 4.171 4.320 0.007 0.000 0.218 299 A C 2.186 179.802 177.584 0.052 0.000 1.175 299 A CA 2.001 54.078 52.037 0.067 0.000 0.628 299 A CB -0.868 18.210 19.000 0.131 0.000 0.814 299 A HN 0.261 nan 8.150 nan 0.000 0.444 300 T N 0.143 114.611 114.554 -0.144 0.000 2.770 300 T HA 0.061 4.415 4.350 0.007 0.000 0.263 300 T C 2.278 176.938 174.700 -0.067 0.000 1.039 300 T CA 1.389 63.377 62.100 -0.188 0.000 1.142 300 T CB -0.453 68.167 68.868 -0.414 0.000 0.868 300 T HN 0.585 nan 8.240 nan 0.000 0.435 301 A N 1.679 124.473 122.820 -0.044 0.000 1.883 301 A HA 0.072 4.396 4.320 0.007 0.000 0.217 301 A C 2.648 180.316 177.584 0.140 0.000 1.186 301 A CA 1.988 54.065 52.037 0.068 0.000 0.624 301 A CB -1.186 17.849 19.000 0.058 0.000 0.822 301 A HN 0.509 nan 8.150 nan 0.000 0.444 302 A N -1.157 121.767 122.820 0.172 0.000 1.933 302 A HA -0.166 4.158 4.320 0.007 0.000 0.218 302 A C 2.302 179.948 177.584 0.103 0.000 1.175 302 A CA 1.630 53.657 52.037 -0.017 0.000 0.628 302 A CB -1.326 17.328 19.000 -0.576 0.000 0.814 302 A HN 0.605 nan 8.150 nan 0.000 0.444 303 C N -0.903 118.540 119.300 0.238 0.000 2.401 303 C HA -0.133 4.332 4.460 0.007 0.000 0.276 303 C C 2.941 177.947 174.990 0.026 0.000 1.233 303 C CA 1.332 60.480 59.018 0.216 0.000 1.753 303 C CB -1.321 26.498 27.740 0.130 0.000 2.029 303 C HN 0.615 nan 8.230 nan 0.000 0.478 304 R N 0.794 121.228 120.500 -0.109 0.000 2.062 304 R HA -0.038 4.307 4.340 0.007 0.000 0.229 304 R C 2.486 178.541 176.300 -0.407 0.000 1.128 304 R CA 1.439 57.352 56.100 -0.311 0.000 0.960 304 R CB -0.618 29.371 30.300 -0.518 0.000 0.855 304 R HN 0.511 nan 8.270 nan 0.000 0.432 305 A N 1.614 124.203 122.820 -0.385 0.000 1.903 305 A HA -0.198 4.127 4.320 0.007 0.000 0.219 305 A C 2.256 179.825 177.584 -0.024 0.000 1.191 305 A CA 2.045 54.017 52.037 -0.107 0.000 0.638 305 A CB -0.740 18.275 19.000 0.025 0.000 0.823 305 A HN 0.425 nan 8.150 nan 0.000 0.451 306 A N -1.474 121.352 122.820 0.010 0.000 2.238 306 A HA 0.264 4.588 4.320 0.007 0.000 0.208 306 A C 0.935 178.538 177.584 0.033 0.000 1.177 306 A CA 0.827 52.895 52.037 0.053 0.000 0.804 306 A CB -0.560 18.530 19.000 0.150 0.000 0.823 306 A HN 0.550 nan 8.150 nan 0.000 0.482 307 K N -1.407 118.995 120.400 0.003 0.000 3.077 307 K HA -0.173 4.151 4.320 0.007 0.000 0.264 307 K C -0.884 175.721 176.600 0.008 0.000 1.008 307 K CA 0.219 56.506 56.287 0.000 0.000 0.740 307 K CB -1.833 30.673 32.500 0.010 0.000 1.273 307 K HN 0.338 nan 8.250 nan 0.000 0.477 308 L N 1.843 123.076 121.223 0.018 0.000 2.426 308 L HA 0.042 4.386 4.340 0.007 0.000 0.271 308 L C 0.983 177.851 176.870 -0.002 0.000 1.169 308 L CA 0.647 55.495 54.840 0.014 0.000 0.836 308 L CB 0.630 42.709 42.059 0.032 0.000 1.112 308 L HN 0.101 nan 8.230 nan 0.000 0.465 309 Q N 1.674 121.467 119.800 -0.012 0.000 2.230 309 Q HA 0.268 4.613 4.340 0.007 0.000 0.253 309 Q C -0.560 175.421 176.000 -0.032 0.000 0.919 309 Q CA -0.753 55.039 55.803 -0.020 0.000 0.908 309 Q CB 0.562 29.286 28.738 -0.023 0.000 1.245 309 Q HN 0.602 nan 8.270 nan 0.000 0.437 310 D N -0.045 120.337 120.400 -0.030 0.000 2.810 310 D HA -0.177 4.467 4.640 0.007 0.000 0.224 310 D C -0.874 175.399 176.300 -0.045 0.000 1.222 310 D CA 0.468 54.446 54.000 -0.037 0.000 0.698 310 D CB -1.370 39.400 40.800 -0.050 0.000 0.961 310 D HN 0.464 nan 8.370 nan 0.000 0.403 311 C N 1.380 120.661 119.300 -0.032 0.000 2.627 311 C HA 0.299 4.764 4.460 0.007 0.000 0.404 311 C C 1.083 176.059 174.990 -0.024 0.000 1.340 311 C CA -0.077 58.918 59.018 -0.039 0.000 1.758 311 C CB -0.179 27.542 27.740 -0.031 0.000 2.501 311 C HN 0.381 nan 8.230 nan 0.000 0.588 312 T N 6.534 121.066 114.554 -0.036 0.000 2.824 312 T HA 0.671 5.026 4.350 0.007 0.000 0.280 312 T C -0.288 174.422 174.700 0.018 0.000 0.995 312 T CA -0.293 61.818 62.100 0.018 0.000 1.009 312 T CB 1.109 69.969 68.868 -0.014 0.000 0.955 312 T HN 0.779 nan 8.240 nan 0.000 0.452 313 M N 2.227 121.881 119.600 0.089 0.000 2.531 313 M HA 0.844 5.328 4.480 0.007 0.000 0.286 313 M C -2.132 174.255 176.300 0.145 0.000 1.232 313 M CA -1.287 54.046 55.300 0.055 0.000 0.877 313 M CB 1.969 34.550 32.600 -0.031 0.000 1.726 313 M HN 0.381 nan 8.290 nan 0.000 0.463 314 L N 2.648 123.924 121.223 0.089 0.000 2.381 314 L HA 0.830 5.174 4.340 0.007 0.000 0.274 314 L C -1.763 175.103 176.870 -0.006 0.000 0.988 314 L CA -0.517 54.359 54.840 0.060 0.000 0.824 314 L CB 2.317 44.420 42.059 0.074 0.000 1.263 314 L HN 0.726 nan 8.230 nan 0.000 0.410 315 V N 5.043 124.948 119.914 -0.016 0.000 2.487 315 V HA 0.545 4.670 4.120 0.007 0.000 0.298 315 V C -0.549 175.431 176.094 -0.191 0.000 1.028 315 V CA -0.705 61.579 62.300 -0.027 0.000 0.860 315 V CB 1.861 33.763 31.823 0.131 0.000 0.991 315 V HN 0.768 nan 8.190 nan 0.000 0.427 316 N N 4.253 122.787 118.700 -0.276 0.000 2.626 316 N HA 0.439 5.183 4.740 0.007 0.000 0.249 316 N C 0.705 176.159 175.510 -0.093 0.000 1.021 316 N CA 0.436 53.174 53.050 -0.519 0.000 0.886 316 N CB 2.092 40.068 38.487 -0.852 0.000 1.149 316 N HN 0.972 nan 8.380 nan 0.000 0.517 317 G N 3.871 112.764 108.800 0.156 0.000 2.629 317 G HA2 -0.421 3.543 3.960 0.007 0.000 0.313 317 G HA3 -0.421 3.543 3.960 0.007 0.000 0.313 317 G C 0.504 175.252 174.900 -0.253 0.000 1.217 317 G CA 1.159 46.269 45.100 0.017 0.000 0.994 317 G HN 0.687 nan 8.290 nan 0.000 0.549 318 D N 0.864 121.033 120.400 -0.384 0.000 2.340 318 D HA 0.212 4.857 4.640 0.007 0.000 0.220 318 D C 0.253 176.468 176.300 -0.141 0.000 1.039 318 D CA 0.649 54.316 54.000 -0.555 0.000 0.866 318 D CB 0.108 40.605 40.800 -0.504 0.000 0.913 318 D HN 0.391 nan 8.370 nan 0.000 0.523 319 D N 0.688 121.036 120.400 -0.087 0.000 2.280 319 D HA 0.291 4.935 4.640 0.007 0.000 0.243 319 D C -0.853 175.432 176.300 -0.024 0.000 1.129 319 D CA -0.484 53.499 54.000 -0.028 0.000 0.848 319 D CB 1.841 42.612 40.800 -0.049 0.000 1.107 319 D HN 0.105 nan 8.370 nan 0.000 0.471 320 L N 3.689 124.934 121.223 0.038 0.000 2.365 320 L HA 0.564 4.908 4.340 0.007 0.000 0.273 320 L C -1.424 175.421 176.870 -0.041 0.000 1.000 320 L CA -0.723 54.136 54.840 0.031 0.000 0.819 320 L CB 2.030 44.173 42.059 0.139 0.000 1.284 320 L HN 0.114 nan 8.230 nan 0.000 0.418 321 V N 5.583 125.433 119.914 -0.107 0.000 2.789 321 V HA 0.837 4.961 4.120 0.007 0.000 0.311 321 V C -1.509 174.421 176.094 -0.274 0.000 1.073 321 V CA -0.363 61.816 62.300 -0.202 0.000 0.921 321 V CB 2.502 34.257 31.823 -0.114 0.000 1.009 321 V HN 0.596 nan 8.190 nan 0.000 0.426 322 V N 7.180 126.802 119.914 -0.487 0.000 2.686 322 V HA 0.595 4.719 4.120 0.007 0.000 0.306 322 V C -0.581 175.319 176.094 -0.325 0.000 1.065 322 V CA -0.402 61.611 62.300 -0.478 0.000 0.894 322 V CB 1.808 33.098 31.823 -0.889 0.000 1.004 322 V HN 0.763 nan 8.190 nan 0.000 0.424 323 I N 4.467 124.940 120.570 -0.162 0.000 2.569 323 I HA 0.860 5.034 4.170 0.007 0.000 0.296 323 I C -0.177 175.860 176.117 -0.134 0.000 1.028 323 I CA -0.387 60.848 61.300 -0.108 0.000 1.082 323 I CB 2.040 40.011 38.000 -0.048 0.000 1.264 323 I HN 0.959 nan 8.210 nan 0.000 0.429 324 C N 1.607 120.809 119.300 -0.164 0.000 3.253 324 C HA 0.418 4.882 4.460 0.007 0.000 0.362 324 C C -1.170 173.724 174.990 -0.159 0.000 1.487 324 C CA -0.997 57.940 59.018 -0.135 0.000 1.179 324 C CB 1.515 29.213 27.740 -0.069 0.000 1.660 324 C HN 0.654 nan 8.230 nan 0.000 0.438 325 E N 1.997 122.130 120.200 -0.111 0.000 2.217 325 E HA 0.286 4.641 4.350 0.007 0.000 0.279 325 E C 0.357 176.923 176.600 -0.056 0.000 1.068 325 E CA 0.557 56.898 56.400 -0.098 0.000 0.882 325 E CB 1.496 31.153 29.700 -0.072 0.000 1.039 325 E HN 0.700 nan 8.360 nan 0.000 0.418 326 S N 2.090 117.766 115.700 -0.040 0.000 2.568 326 S HA 0.210 4.684 4.470 0.007 0.000 0.282 326 S C 0.560 175.171 174.600 0.017 0.000 1.338 326 S CA 0.285 58.511 58.200 0.043 0.000 1.045 326 S CB 0.558 63.850 63.200 0.153 0.000 0.873 326 S HN 0.529 nan 8.310 nan 0.000 0.516 327 A N 3.083 125.921 122.820 0.030 0.000 2.589 327 A HA 0.662 4.986 4.320 0.007 0.000 0.283 327 A C 0.786 178.373 177.584 0.005 0.000 1.187 327 A CA 0.264 52.306 52.037 0.008 0.000 0.957 327 A CB -0.603 18.399 19.000 0.004 0.000 1.175 327 A HN 1.950 nan 8.150 nan 0.000 0.532 328 G N -1.198 107.609 108.800 0.010 0.000 2.617 328 G HA2 0.065 4.029 3.960 0.007 0.000 0.686 328 G HA3 0.065 4.029 3.960 0.007 0.000 0.686 328 G C 0.466 175.376 174.900 0.016 0.000 1.214 328 G CA 0.113 45.203 45.100 -0.017 0.000 0.796 328 G HN 0.831 nan 8.290 nan 0.000 0.654 329 T N -0.461 114.078 114.554 -0.025 0.000 2.708 329 T HA -0.170 4.185 4.350 0.007 0.000 0.266 329 T C 2.168 176.894 174.700 0.044 0.000 1.037 329 T CA 2.315 64.431 62.100 0.027 0.000 1.146 329 T CB -0.321 68.528 68.868 -0.032 0.000 0.865 329 T HN 0.604 nan 8.240 nan 0.000 0.435 330 Q N 1.339 121.148 119.800 0.014 0.000 2.002 330 Q HA -0.129 4.215 4.340 0.007 0.000 0.204 330 Q C 2.557 178.564 176.000 0.012 0.000 0.988 330 Q CA 1.880 57.689 55.803 0.010 0.000 0.843 330 Q CB -0.284 28.454 28.738 0.001 0.000 0.908 330 Q HN 0.771 nan 8.270 nan 0.000 0.420 331 E N 0.010 120.217 120.200 0.011 0.000 2.274 331 E HA -0.144 4.210 4.350 0.007 0.000 0.194 331 E C 0.824 177.429 176.600 0.008 0.000 0.996 331 E CA 1.050 57.454 56.400 0.007 0.000 0.840 331 E CB -0.126 29.576 29.700 0.005 0.000 0.772 331 E HN 0.343 nan 8.360 nan 0.000 0.491 332 D N 1.879 122.296 120.400 0.028 0.000 2.103 332 D HA 0.009 4.653 4.640 0.007 0.000 0.199 332 D C 2.009 178.294 176.300 -0.025 0.000 0.978 332 D CA 1.882 55.894 54.000 0.020 0.000 0.829 332 D CB -0.358 40.509 40.800 0.112 0.000 0.981 332 D HN 0.260 nan 8.370 nan 0.000 0.464 333 A N 1.219 124.041 122.820 0.003 0.000 1.873 333 A HA -0.154 4.170 4.320 0.007 0.000 0.218 333 A C 2.321 179.886 177.584 -0.032 0.000 1.193 333 A CA 2.739 54.764 52.037 -0.019 0.000 0.629 333 A CB -1.034 17.970 19.000 0.007 0.000 0.826 333 A HN 0.242 nan 8.150 nan 0.000 0.447 334 A N -0.409 122.401 122.820 -0.016 0.000 1.908 334 A HA 0.130 4.455 4.320 0.007 0.000 0.218 334 A C 2.521 180.095 177.584 -0.016 0.000 1.181 334 A CA 2.317 54.346 52.037 -0.012 0.000 0.627 334 A CB -1.060 17.937 19.000 -0.005 0.000 0.818 334 A HN 1.142 nan 8.150 nan 0.000 0.445 335 A N -0.649 122.156 122.820 -0.025 0.000 1.877 335 A HA -0.039 4.285 4.320 0.007 0.000 0.216 335 A C 2.075 179.635 177.584 -0.040 0.000 1.186 335 A CA 1.711 53.734 52.037 -0.023 0.000 0.620 335 A CB -0.646 18.336 19.000 -0.030 0.000 0.822 335 A HN 0.421 nan 8.150 nan 0.000 0.443 336 L N -0.348 120.796 121.223 -0.132 0.000 2.042 336 L HA -0.180 4.164 4.340 0.007 0.000 0.210 336 L C 2.667 179.518 176.870 -0.032 0.000 1.076 336 L CA 1.903 56.612 54.840 -0.218 0.000 0.749 336 L CB -0.548 41.289 42.059 -0.370 0.000 0.893 336 L HN 0.343 nan 8.230 nan 0.000 0.432 337 R N -1.231 119.256 120.500 -0.021 0.000 2.096 337 R HA -0.211 4.134 4.340 0.007 0.000 0.240 337 R C 2.237 178.552 176.300 0.026 0.000 1.139 337 R CA 1.479 57.586 56.100 0.012 0.000 0.952 337 R CB -0.616 29.683 30.300 -0.002 0.000 0.854 337 R HN 0.447 nan 8.270 nan 0.000 0.436 338 A N 0.483 123.318 122.820 0.024 0.000 1.933 338 A HA -0.198 4.127 4.320 0.007 0.000 0.218 338 A C 1.951 179.555 177.584 0.033 0.000 1.175 338 A CA 1.193 53.241 52.037 0.019 0.000 0.628 338 A CB -0.609 18.404 19.000 0.021 0.000 0.814 338 A HN 0.424 nan 8.150 nan 0.000 0.444 339 F N 1.329 121.231 119.950 -0.080 0.000 2.113 339 F HA -0.133 4.399 4.527 0.009 0.000 0.297 339 F C 2.420 178.169 175.800 -0.086 0.000 1.103 339 F CA 2.286 60.236 58.000 -0.082 0.000 1.248 339 F CB -0.686 38.261 39.000 -0.087 0.000 0.999 339 F HN 0.196 nan 8.300 nan 0.000 0.475 340 T N -0.141 114.495 114.554 0.137 0.000 2.684 340 T HA -0.253 4.101 4.350 0.007 0.000 0.267 340 T C 1.672 176.344 174.700 -0.047 0.000 1.036 340 T CA 1.868 64.041 62.100 0.123 0.000 1.148 340 T CB -0.386 68.622 68.868 0.233 0.000 0.863 340 T HN 0.234 nan 8.240 nan 0.000 0.436 341 E N 0.901 121.063 120.200 -0.063 0.000 2.150 341 E HA 0.072 4.426 4.350 0.007 0.000 0.193 341 E C 2.227 178.696 176.600 -0.219 0.000 0.985 341 E CA 0.959 57.297 56.400 -0.103 0.000 0.814 341 E CB -0.460 29.198 29.700 -0.069 0.000 0.752 341 E HN 0.462 nan 8.360 nan 0.000 0.466 342 A N 0.285 122.928 122.820 -0.294 0.000 1.902 342 A HA -0.172 4.152 4.320 0.007 0.000 0.217 342 A C 2.121 179.270 177.584 -0.726 0.000 1.181 342 A CA 1.550 53.290 52.037 -0.495 0.000 0.623 342 A CB -0.396 18.368 19.000 -0.392 0.000 0.818 342 A HN 0.225 nan 8.150 nan 0.000 0.443 343 M N -0.385 118.888 119.600 -0.545 0.000 2.229 343 M HA -0.096 4.388 4.480 0.007 0.000 0.264 343 M C 2.098 178.297 176.300 -0.168 0.000 1.063 343 M CA 1.822 56.903 55.300 -0.366 0.000 1.114 343 M CB -1.606 30.680 32.600 -0.522 0.000 1.387 343 M HN 0.447 nan 8.290 nan 0.000 0.420 344 T N -0.037 114.423 114.554 -0.157 0.000 2.821 344 T HA -0.070 4.284 4.350 0.007 0.000 0.267 344 T C 1.894 176.527 174.700 -0.110 0.000 1.046 344 T CA 0.921 62.977 62.100 -0.074 0.000 1.139 344 T CB -0.146 68.690 68.868 -0.053 0.000 0.871 344 T HN 0.387 nan 8.240 nan 0.000 0.454 345 R N 0.102 120.463 120.500 -0.231 0.000 2.148 345 R HA -0.036 4.308 4.340 0.007 0.000 0.227 345 R C 1.331 177.562 176.300 -0.115 0.000 1.103 345 R CA 0.960 56.926 56.100 -0.223 0.000 0.983 345 R CB -0.218 29.882 30.300 -0.334 0.000 0.874 345 R HN 0.430 nan 8.270 nan 0.000 0.451 346 Y N 0.079 120.321 120.300 -0.097 0.000 2.471 346 Y HA 0.133 4.687 4.550 0.006 0.000 0.286 346 Y C 0.854 176.699 175.900 -0.091 0.000 1.188 346 Y CA -0.715 57.313 58.100 -0.120 0.000 1.286 346 Y CB -0.137 38.277 38.460 -0.077 0.000 1.072 346 Y HN -0.083 nan 8.280 nan 0.000 0.517 347 S N 0.178 115.918 115.700 0.066 0.000 3.797 347 S HA -0.131 4.343 4.470 0.007 0.000 0.374 347 S C 0.078 174.694 174.600 0.026 0.000 0.970 347 S CA 0.510 58.731 58.200 0.035 0.000 1.177 347 S CB -1.359 61.849 63.200 0.013 0.000 0.891 347 S HN 0.646 nan 8.310 nan 0.000 0.491 348 A N 1.866 124.729 122.820 0.071 0.000 3.410 348 A HA 0.562 4.887 4.320 0.007 0.000 0.276 348 A C -2.391 175.321 177.584 0.214 0.000 0.995 348 A CA -0.827 51.286 52.037 0.128 0.000 0.934 348 A CB 0.860 19.972 19.000 0.186 0.000 1.191 348 A HN 0.423 nan 8.150 nan 0.000 0.511 349 P HA 0.309 nan 4.420 nan 0.000 0.272 349 P C -2.973 174.386 177.300 0.099 0.000 1.223 349 P CA -1.104 62.060 63.100 0.106 0.000 0.784 349 P CB 0.764 32.461 31.700 -0.004 0.000 0.923 350 P HA 0.132 nan 4.420 nan 0.000 0.286 350 P C 0.731 177.958 177.300 -0.122 0.000 1.261 350 P CA -0.023 62.971 63.100 -0.176 0.000 0.821 350 P CB 1.200 32.797 31.700 -0.173 0.000 1.013 351 G N 2.716 111.433 108.800 -0.137 0.000 2.688 351 G HA2 -0.053 3.911 3.960 0.007 0.000 0.211 351 G HA3 -0.053 3.911 3.960 0.007 0.000 0.211 351 G C -0.329 174.528 174.900 -0.072 0.000 1.399 351 G CA 0.373 45.427 45.100 -0.077 0.000 0.901 351 G HN 0.465 nan 8.290 nan 0.000 0.555 352 D N 1.754 122.113 120.400 -0.069 0.000 2.350 352 D HA 0.427 5.071 4.640 0.007 0.000 0.249 352 D C -2.198 174.066 176.300 -0.061 0.000 1.119 352 D CA -0.950 53.020 54.000 -0.050 0.000 0.886 352 D CB 1.199 41.981 40.800 -0.031 0.000 1.195 352 D HN 0.011 nan 8.370 nan 0.000 0.437 353 P HA 0.145 nan 4.420 nan 0.000 0.268 353 P C -2.395 174.911 177.300 0.009 0.000 1.204 353 P CA -1.002 62.094 63.100 -0.007 0.000 0.768 353 P CB -0.250 31.452 31.700 0.004 0.000 0.842 354 P HA 0.128 nan 4.420 nan 0.000 0.271 354 P C -0.845 176.467 177.300 0.019 0.000 1.218 354 P CA -0.087 63.075 63.100 0.103 0.000 0.780 354 P CB 0.603 32.465 31.700 0.271 0.000 0.901 355 Q N 3.389 123.219 119.800 0.050 0.000 2.333 355 Q HA 0.409 4.753 4.340 0.007 0.000 0.268 355 Q C -2.557 173.445 176.000 0.005 0.000 1.007 355 Q CA -2.641 53.171 55.803 0.015 0.000 0.810 355 Q CB 1.230 29.987 28.738 0.032 0.000 1.264 355 Q HN 0.262 nan 8.270 nan 0.000 0.452 356 P HA 0.157 nan 4.420 nan 0.000 0.268 356 P C -0.862 176.329 177.300 -0.181 0.000 1.205 356 P CA -0.069 62.946 63.100 -0.143 0.000 0.771 356 P CB 1.007 32.624 31.700 -0.139 0.000 0.858 357 E N 1.436 121.446 120.200 -0.317 0.000 2.275 357 E HA 0.336 4.690 4.350 0.007 0.000 0.270 357 E C -1.024 175.414 176.600 -0.271 0.000 0.882 357 E CA -0.495 55.802 56.400 -0.172 0.000 0.758 357 E CB 1.016 30.711 29.700 -0.007 0.000 1.195 357 E HN 0.315 nan 8.360 nan 0.000 0.419 358 Y N 0.831 121.267 120.300 0.227 0.000 2.481 358 Y HA 0.313 4.867 4.550 0.007 0.000 0.247 358 Y C 0.009 176.160 175.900 0.419 0.000 1.151 358 Y CA -0.428 57.854 58.100 0.304 0.000 1.238 358 Y CB 1.096 39.648 38.460 0.154 0.000 1.179 358 Y HN 0.335 nan 8.280 nan 0.000 0.524 359 D N -0.383 120.191 120.400 0.291 0.000 2.780 359 D HA 0.148 4.792 4.640 0.007 0.000 0.242 359 D C 0.250 176.277 176.300 -0.456 0.000 1.135 359 D CA -0.495 53.498 54.000 -0.012 0.000 0.859 359 D CB 1.977 42.783 40.800 0.010 0.000 1.530 359 D HN 0.023 nan 8.370 nan 0.000 0.493 360 L N 3.323 123.913 121.223 -1.054 0.000 2.141 360 L HA 0.091 4.436 4.340 0.007 0.000 0.209 360 L C 1.639 178.206 176.870 -0.504 0.000 1.094 360 L CA 1.696 55.875 54.840 -1.102 0.000 0.763 360 L CB -0.266 40.947 42.059 -1.410 0.000 0.908 360 L HN 0.563 nan 8.230 nan 0.000 0.437 361 E N -0.824 119.162 120.200 -0.356 0.000 2.268 361 E HA -0.176 4.179 4.350 0.007 0.000 0.195 361 E C 1.665 178.175 176.600 -0.151 0.000 0.995 361 E CA 0.668 56.943 56.400 -0.209 0.000 0.836 361 E CB -0.031 29.585 29.700 -0.139 0.000 0.763 361 E HN 0.352 nan 8.360 nan 0.000 0.491 362 L N 0.393 121.529 121.223 -0.144 0.000 2.591 362 L HA 0.112 4.456 4.340 0.007 0.000 0.228 362 L C 0.680 177.509 176.870 -0.069 0.000 1.133 362 L CA 0.498 55.292 54.840 -0.078 0.000 0.880 362 L CB 0.179 42.215 42.059 -0.038 0.000 1.033 362 L HN 0.006 nan 8.230 nan 0.000 0.450 363 I N -0.323 120.183 120.570 -0.107 0.000 2.312 363 I HA 0.119 4.294 4.170 0.007 0.000 0.291 363 I C 0.437 176.517 176.117 -0.062 0.000 1.031 363 I CA -0.051 61.206 61.300 -0.073 0.000 1.293 363 I CB 1.077 39.023 38.000 -0.089 0.000 1.403 363 I HN -0.051 nan 8.210 nan 0.000 0.484 364 T N 4.662 119.198 114.554 -0.030 0.000 2.794 364 T HA 0.522 4.877 4.350 0.007 0.000 0.280 364 T C -0.606 174.090 174.700 -0.007 0.000 0.987 364 T CA -0.384 61.705 62.100 -0.018 0.000 0.993 364 T CB 0.963 69.824 68.868 -0.011 0.000 0.939 364 T HN 0.634 nan 8.240 nan 0.000 0.449 365 S N 3.483 119.181 115.700 -0.004 0.000 2.605 365 S HA 0.334 4.809 4.470 0.007 0.000 0.279 365 S C 0.020 174.621 174.600 0.002 0.000 1.166 365 S CA -0.284 57.911 58.200 -0.009 0.000 0.975 365 S CB -0.030 63.150 63.200 -0.033 0.000 1.111 365 S HN 1.195 nan 8.310 nan 0.000 0.465 366 C N 3.933 123.235 119.300 0.004 0.000 4.268 366 C HA -0.173 4.291 4.460 0.007 0.000 0.299 366 C C 1.403 176.440 174.990 0.078 0.000 1.429 366 C CA 1.111 60.143 59.018 0.024 0.000 2.018 366 C CB -3.116 24.614 27.740 -0.017 0.000 1.277 366 C HN 1.856 nan 8.230 nan 0.000 0.767 367 S N -2.516 113.222 115.700 0.063 0.000 2.929 367 S HA -0.194 4.280 4.470 0.007 0.000 0.271 367 S C 0.197 174.837 174.600 0.067 0.000 1.295 367 S CA 1.378 59.617 58.200 0.064 0.000 1.277 367 S CB -0.985 62.267 63.200 0.086 0.000 1.557 367 S HN 1.038 nan 8.310 nan 0.000 0.666 368 S N 2.148 117.897 115.700 0.082 0.000 2.599 368 S HA 0.750 5.225 4.470 0.007 0.000 0.294 368 S C -0.401 174.224 174.600 0.041 0.000 1.094 368 S CA -0.863 57.405 58.200 0.114 0.000 0.931 368 S CB 1.773 65.110 63.200 0.228 0.000 1.093 368 S HN 0.582 nan 8.310 nan 0.000 0.488 369 N N -0.558 118.156 118.700 0.024 0.000 2.357 369 N HA 0.451 5.195 4.740 0.007 0.000 0.284 369 N C -1.299 174.154 175.510 -0.093 0.000 1.236 369 N CA -0.639 52.382 53.050 -0.048 0.000 0.774 369 N CB 1.030 39.476 38.487 -0.069 0.000 1.534 369 N HN 0.315 nan 8.380 nan 0.000 0.478 370 V N 0.503 120.328 119.914 -0.149 0.000 2.715 370 V HA 0.292 4.417 4.120 0.007 0.000 0.299 370 V C 0.645 176.590 176.094 -0.250 0.000 1.054 370 V CA 0.062 62.240 62.300 -0.202 0.000 1.077 370 V CB 0.819 32.522 31.823 -0.201 0.000 0.972 370 V HN 0.811 nan 8.190 nan 0.000 0.484 371 S N 2.566 118.004 115.700 -0.437 0.000 2.704 371 S HA 0.821 5.296 4.470 0.007 0.000 0.296 371 S C -0.954 173.489 174.600 -0.263 0.000 1.138 371 S CA -0.529 57.441 58.200 -0.383 0.000 0.875 371 S CB 2.068 64.989 63.200 -0.465 0.000 1.151 371 S HN 0.453 nan 8.310 nan 0.000 0.500 372 V N 1.408 121.267 119.914 -0.091 0.000 2.628 372 V HA 0.962 5.086 4.120 0.007 0.000 0.306 372 V C 0.281 176.311 176.094 -0.107 0.000 1.045 372 V CA -0.290 61.921 62.300 -0.149 0.000 0.905 372 V CB 1.016 32.653 31.823 -0.309 0.000 0.997 372 V HN 1.076 nan 8.190 nan 0.000 0.436 373 A N 2.791 125.414 122.820 -0.328 0.000 2.566 373 A HA 0.905 5.230 4.320 0.007 0.000 0.291 373 A C -1.439 175.623 177.584 -0.871 0.000 1.278 373 A CA -0.616 51.045 52.037 -0.626 0.000 0.711 373 A CB 1.554 20.026 19.000 -0.878 0.000 1.332 373 A HN 0.926 nan 8.150 nan 0.000 0.478 374 H N 0.301 119.033 119.070 -0.562 0.000 2.589 374 H HA 0.447 5.007 4.556 0.007 0.000 0.351 374 H C -0.758 174.209 175.328 -0.601 0.000 1.074 374 H CA -0.502 55.213 56.048 -0.554 0.000 1.203 374 H CB 1.421 30.824 29.762 -0.598 0.000 1.558 374 H HN 0.810 nan 8.280 nan 0.000 0.522 375 D N 1.631 121.915 120.400 -0.194 0.000 2.376 375 D HA 0.110 4.754 4.640 0.007 0.000 0.268 375 D C 1.355 177.704 176.300 0.081 0.000 1.252 375 D CA -0.190 53.761 54.000 -0.082 0.000 1.041 375 D CB 0.205 40.976 40.800 -0.048 0.000 1.109 375 D HN 0.502 nan 8.370 nan 0.000 0.552 376 A N -0.200 122.691 122.820 0.118 0.000 1.902 376 A HA -0.152 4.172 4.320 0.007 0.000 0.217 376 A C 2.193 179.847 177.584 0.116 0.000 1.181 376 A CA 2.708 54.833 52.037 0.148 0.000 0.623 376 A CB -1.324 17.727 19.000 0.086 0.000 0.818 376 A HN 0.653 nan 8.150 nan 0.000 0.443 377 S N -1.620 114.122 115.700 0.070 0.000 2.383 377 S HA 0.184 4.659 4.470 0.007 0.000 0.229 377 S C 1.682 176.312 174.600 0.049 0.000 1.030 377 S CA 1.709 59.937 58.200 0.046 0.000 1.002 377 S CB -0.677 62.539 63.200 0.027 0.000 0.829 377 S HN 1.992 nan 8.310 nan 0.000 0.467 378 G N 0.785 109.623 108.800 0.064 0.000 2.184 378 G HA2 -0.243 3.722 3.960 0.007 0.000 0.206 378 G HA3 -0.243 3.722 3.960 0.007 0.000 0.206 378 G C -0.003 174.908 174.900 0.018 0.000 0.995 378 G CA 0.031 45.141 45.100 0.017 0.000 0.651 378 G HN 0.817 nan 8.290 nan 0.000 0.511 379 K N 1.323 121.743 120.400 0.033 0.000 2.489 379 K HA 0.383 4.708 4.320 0.007 0.000 0.278 379 K C 0.801 177.433 176.600 0.053 0.000 1.000 379 K CA -0.294 56.013 56.287 0.034 0.000 1.012 379 K CB 0.234 32.735 32.500 0.002 0.000 0.903 379 K HN 0.313 nan 8.250 nan 0.000 0.485 380 R N 2.327 122.841 120.500 0.024 0.000 2.489 380 R HA 0.136 4.480 4.340 0.007 0.000 0.287 380 R C -0.862 175.232 176.300 -0.343 0.000 1.053 380 R CA -0.228 55.731 56.100 -0.235 0.000 1.036 380 R CB 0.764 30.888 30.300 -0.293 0.000 0.966 380 R HN 0.313 nan 8.270 nan 0.000 0.432 381 V N 5.060 124.720 119.914 -0.422 0.000 2.531 381 V HA 0.274 4.398 4.120 0.007 0.000 0.301 381 V C -0.984 174.960 176.094 -0.250 0.000 1.034 381 V CA -0.881 61.250 62.300 -0.281 0.000 0.865 381 V CB 1.426 33.144 31.823 -0.175 0.000 0.995 381 V HN 0.588 nan 8.190 nan 0.000 0.424 382 Y N 5.183 125.476 120.300 -0.011 0.000 2.310 382 Y HA 0.681 5.236 4.550 0.007 0.000 0.326 382 Y C -0.004 175.954 175.900 0.098 0.000 1.151 382 Y CA -0.410 57.690 58.100 -0.000 0.000 1.195 382 Y CB 1.092 39.504 38.460 -0.081 0.000 1.210 382 Y HN 0.726 nan 8.280 nan 0.000 0.483 383 Y N -0.692 119.654 120.300 0.076 0.000 2.625 383 Y HA 0.650 5.205 4.550 0.007 0.000 0.338 383 Y C -1.893 174.052 175.900 0.075 0.000 1.123 383 Y CA -2.054 56.074 58.100 0.045 0.000 1.046 383 Y CB 0.791 39.251 38.460 -0.000 0.000 1.299 383 Y HN 0.483 nan 8.280 nan 0.000 0.464 384 L N 2.362 123.649 121.223 0.107 0.000 2.326 384 L HA 0.570 4.914 4.340 0.007 0.000 0.278 384 L C 0.099 177.150 176.870 0.302 0.000 1.092 384 L CA -0.083 54.814 54.840 0.095 0.000 0.810 384 L CB 1.632 43.767 42.059 0.126 0.000 1.153 384 L HN 1.020 nan 8.230 nan 0.000 0.439 385 T N 3.563 118.259 114.554 0.237 0.000 2.804 385 T HA 0.764 5.119 4.350 0.007 0.000 0.290 385 T C -0.990 173.861 174.700 0.251 0.000 1.099 385 T CA -0.608 61.724 62.100 0.387 0.000 1.011 385 T CB 1.779 70.824 68.868 0.295 0.000 1.291 385 T HN 0.802 nan 8.240 nan 0.000 0.523 386 R N 0.432 121.009 120.500 0.128 0.000 2.781 386 R HA 0.518 4.862 4.340 0.007 0.000 0.268 386 R C -1.346 174.806 176.300 -0.247 0.000 1.047 386 R CA -1.061 54.990 56.100 -0.081 0.000 0.925 386 R CB 0.409 30.594 30.300 -0.193 0.000 1.246 386 R HN 0.549 nan 8.270 nan 0.000 0.456 387 D N 1.298 121.535 120.400 -0.271 0.000 2.390 387 D HA 0.098 4.742 4.640 0.007 0.000 0.249 387 D C -1.511 174.421 176.300 -0.614 0.000 1.144 387 D CA -1.646 52.144 54.000 -0.349 0.000 0.880 387 D CB 1.428 42.107 40.800 -0.201 0.000 1.182 387 D HN 0.324 nan 8.370 nan 0.000 0.451 388 P HA 0.042 nan 4.420 nan 0.000 0.255 388 P C 1.064 178.041 177.300 -0.538 0.000 1.248 388 P CA 0.083 62.521 63.100 -1.104 0.000 0.807 388 P CB 0.333 31.278 31.700 -1.258 0.000 1.150 389 T N -0.399 113.956 114.554 -0.332 0.000 2.652 389 T HA -0.121 4.234 4.350 0.007 0.000 0.267 389 T C 1.738 176.364 174.700 -0.123 0.000 1.039 389 T CA 2.289 64.287 62.100 -0.169 0.000 1.153 389 T CB -1.088 67.725 68.868 -0.092 0.000 0.863 389 T HN 0.191 nan 8.240 nan 0.000 0.428 390 T N 2.210 116.692 114.554 -0.120 0.000 2.770 390 T HA -0.023 4.332 4.350 0.007 0.000 0.263 390 T C -0.568 174.081 174.700 -0.085 0.000 1.039 390 T CA 0.966 63.022 62.100 -0.073 0.000 1.142 390 T CB -1.256 67.599 68.868 -0.023 0.000 0.868 390 T HN 0.313 nan 8.240 nan 0.000 0.435 391 P HA -0.063 nan 4.420 nan 0.000 0.216 391 P C 1.538 178.864 177.300 0.044 0.000 1.157 391 P CA 1.045 64.135 63.100 -0.017 0.000 0.880 391 P CB -0.206 31.438 31.700 -0.093 0.000 0.791 392 L N -1.434 119.768 121.223 -0.035 0.000 2.056 392 L HA -0.144 4.200 4.340 0.007 0.000 0.207 392 L C 2.525 179.425 176.870 0.051 0.000 1.078 392 L CA 1.448 56.296 54.840 0.014 0.000 0.749 392 L CB -1.196 40.830 42.059 -0.055 0.000 0.901 392 L HN -0.054 nan 8.230 nan 0.000 0.433 393 A N 0.519 123.356 122.820 0.029 0.000 1.873 393 A HA -0.271 4.053 4.320 0.007 0.000 0.218 393 A C 2.340 179.996 177.584 0.120 0.000 1.193 393 A CA 1.990 54.065 52.037 0.063 0.000 0.629 393 A CB -0.595 18.411 19.000 0.009 0.000 0.826 393 A HN 0.346 nan 8.150 nan 0.000 0.447 394 R N -0.639 119.906 120.500 0.075 0.000 2.152 394 R HA -0.012 4.332 4.340 0.007 0.000 0.232 394 R C 2.378 178.853 176.300 0.291 0.000 1.117 394 R CA 1.009 57.187 56.100 0.129 0.000 0.981 394 R CB -0.420 29.899 30.300 0.032 0.000 0.870 394 R HN 0.545 nan 8.270 nan 0.000 0.451 395 A N 1.165 124.170 122.820 0.309 0.000 1.898 395 A HA -0.060 4.265 4.320 0.007 0.000 0.216 395 A C 2.343 180.144 177.584 0.362 0.000 1.181 395 A CA 1.529 53.844 52.037 0.464 0.000 0.620 395 A CB -0.574 18.694 19.000 0.446 0.000 0.819 395 A HN 0.367 nan 8.150 nan 0.000 0.442 396 A N -1.621 121.320 122.820 0.202 0.000 1.969 396 A HA -0.139 4.185 4.320 0.007 0.000 0.218 396 A C 2.065 179.773 177.584 0.207 0.000 1.169 396 A CA 1.289 53.408 52.037 0.136 0.000 0.635 396 A CB -0.695 18.365 19.000 0.101 0.000 0.810 396 A HN 0.845 nan 8.150 nan 0.000 0.445 397 W N 0.901 122.258 121.300 0.095 0.000 2.441 397 W HA -0.071 4.594 4.660 0.008 0.000 0.302 397 W C 1.520 178.109 176.519 0.116 0.000 1.191 397 W CA 1.634 59.027 57.345 0.081 0.000 1.327 397 W CB -0.265 29.218 29.460 0.038 0.000 1.128 397 W HN 0.510 nan 8.180 nan 0.000 0.522 398 E N -0.379 120.088 120.200 0.445 0.000 2.338 398 E HA -0.150 4.205 4.350 0.007 0.000 0.197 398 E C 2.012 178.790 176.600 0.296 0.000 1.007 398 E CA 1.735 58.356 56.400 0.368 0.000 0.849 398 E CB -0.073 29.896 29.700 0.448 0.000 0.774 398 E HN 0.082 nan 8.360 nan 0.000 0.506 399 T N 0.206 114.933 114.554 0.289 0.000 2.770 399 T HA -0.070 4.284 4.350 0.007 0.000 0.263 399 T C 1.956 176.709 174.700 0.088 0.000 1.039 399 T CA 1.149 63.386 62.100 0.229 0.000 1.142 399 T CB -0.101 68.899 68.868 0.220 0.000 0.868 399 T HN 0.246 nan 8.240 nan 0.000 0.435 400 A N 1.233 124.045 122.820 -0.012 0.000 1.970 400 A HA 0.153 4.477 4.320 0.007 0.000 0.216 400 A C 1.212 178.718 177.584 -0.130 0.000 1.170 400 A CA 0.647 52.619 52.037 -0.108 0.000 0.645 400 A CB -0.000 18.869 19.000 -0.217 0.000 0.816 400 A HN 0.373 nan 8.150 nan 0.000 0.447 401 R N -0.489 119.923 120.500 -0.147 0.000 2.621 401 R HA 0.316 4.661 4.340 0.007 0.000 0.292 401 R C -0.716 175.635 176.300 0.084 0.000 0.969 401 R CA -0.710 55.343 56.100 -0.078 0.000 0.887 401 R CB 1.222 31.387 30.300 -0.225 0.000 1.180 401 R HN 0.474 nan 8.270 nan 0.000 0.450 402 H N 2.650 121.740 119.070 0.033 0.000 2.929 402 H HA 0.079 4.639 4.556 0.007 0.000 0.317 402 H C -0.841 174.534 175.328 0.079 0.000 1.031 402 H CA 0.745 56.831 56.048 0.063 0.000 1.466 402 H CB 0.704 30.487 29.762 0.035 0.000 1.482 402 H HN 0.729 nan 8.280 nan 0.000 0.561 403 T N 2.859 117.253 114.554 -0.266 0.000 2.906 403 T HA 0.266 4.620 4.350 0.007 0.000 0.295 403 T C -2.019 172.507 174.700 -0.290 0.000 1.061 403 T CA -1.625 60.395 62.100 -0.135 0.000 1.000 403 T CB 2.218 71.123 68.868 0.061 0.000 1.103 403 T HN 0.402 nan 8.240 nan 0.000 0.486 404 P HA 0.224 nan 4.420 nan 0.000 0.229 404 P C -0.032 177.228 177.300 -0.067 0.000 1.160 404 P CA 0.289 63.293 63.100 -0.161 0.000 0.777 404 P CB 0.268 31.880 31.700 -0.147 0.000 0.814 405 I N 0.830 121.362 120.570 -0.063 0.000 2.465 405 I HA 0.240 4.414 4.170 0.007 0.000 0.291 405 I C -0.117 175.946 176.117 -0.090 0.000 1.014 405 I CA -0.906 60.356 61.300 -0.063 0.000 1.093 405 I CB 1.709 39.684 38.000 -0.041 0.000 1.267 405 I HN -0.164 nan 8.210 nan 0.000 0.431 406 N N 4.116 122.706 118.700 -0.184 0.000 2.699 406 N HA 0.080 4.824 4.740 0.007 0.000 0.232 406 N C 1.170 176.438 175.510 -0.404 0.000 1.027 406 N CA -0.050 52.800 53.050 -0.332 0.000 0.920 406 N CB 1.433 39.545 38.487 -0.624 0.000 1.148 406 N HN 0.623 nan 8.380 nan 0.000 0.509 407 S N 1.390 117.006 115.700 -0.140 0.000 2.419 407 S HA -0.111 4.363 4.470 0.007 0.000 0.233 407 S C 1.784 176.387 174.600 0.005 0.000 1.016 407 S CA 0.170 58.342 58.200 -0.047 0.000 0.974 407 S CB -0.394 62.827 63.200 0.035 0.000 0.786 407 S HN 0.775 nan 8.310 nan 0.000 0.492 408 W N 0.947 122.234 121.300 -0.022 0.000 2.392 408 W HA 0.036 4.700 4.660 0.007 0.000 0.279 408 W C 1.543 178.038 176.519 -0.040 0.000 1.225 408 W CA 0.269 57.601 57.345 -0.022 0.000 1.233 408 W CB -0.843 28.471 29.460 -0.243 0.000 1.122 408 W HN 0.358 nan 8.180 nan 0.000 0.561 409 L N 2.553 123.253 121.223 -0.872 0.000 2.209 409 L HA 0.279 4.623 4.340 0.007 0.000 0.207 409 L C 2.582 179.284 176.870 -0.281 0.000 1.094 409 L CA 2.388 56.742 54.840 -0.810 0.000 0.790 409 L CB -1.214 40.101 42.059 -1.240 0.000 0.932 409 L HN 0.016 nan 8.230 nan 0.000 0.447 410 G N -0.734 107.944 108.800 -0.204 0.000 2.422 410 G HA2 -0.243 3.721 3.960 0.007 0.000 0.218 410 G HA3 -0.243 3.721 3.960 0.007 0.000 0.218 410 G C 1.437 176.393 174.900 0.093 0.000 1.140 410 G CA 0.546 45.618 45.100 -0.047 0.000 0.775 410 G HN 0.396 nan 8.290 nan 0.000 0.545 411 N N 0.406 119.215 118.700 0.181 0.000 2.250 411 N HA 0.052 4.796 4.740 0.007 0.000 0.181 411 N C 2.211 177.891 175.510 0.283 0.000 1.017 411 N CA 0.352 53.632 53.050 0.383 0.000 0.866 411 N CB -0.014 38.759 38.487 0.476 0.000 0.985 411 N HN 0.298 nan 8.380 nan 0.000 0.429 412 I N 0.963 121.656 120.570 0.205 0.000 2.226 412 I HA -0.215 3.960 4.170 0.007 0.000 0.245 412 I C 1.931 178.108 176.117 0.100 0.000 1.100 412 I CA 0.954 62.349 61.300 0.159 0.000 1.374 412 I CB -0.054 38.099 38.000 0.256 0.000 1.057 412 I HN 0.031 nan 8.210 nan 0.000 0.413 413 I N -0.334 120.300 120.570 0.107 0.000 2.233 413 I HA -0.271 3.903 4.170 0.007 0.000 0.243 413 I C 2.513 178.735 176.117 0.174 0.000 1.093 413 I CA 1.059 62.441 61.300 0.136 0.000 1.380 413 I CB -0.253 37.827 38.000 0.133 0.000 1.067 413 I HN 0.177 nan 8.210 nan 0.000 0.413 414 M N -0.365 119.280 119.600 0.074 0.000 2.132 414 M HA -0.150 4.335 4.480 0.007 0.000 0.263 414 M C 1.201 177.330 176.300 -0.285 0.000 1.065 414 M CA 1.897 57.132 55.300 -0.108 0.000 1.122 414 M CB -0.722 31.723 32.600 -0.259 0.000 1.365 414 M HN 0.210 nan 8.290 nan 0.000 0.411 415 Y N -0.527 119.782 120.300 0.016 0.000 2.751 415 Y HA 0.440 4.994 4.550 0.007 0.000 0.289 415 Y C 1.814 177.493 175.900 -0.367 0.000 1.110 415 Y CA -0.216 57.786 58.100 -0.163 0.000 1.251 415 Y CB -0.940 37.346 38.460 -0.289 0.000 1.178 415 Y HN 0.165 nan 8.280 nan 0.000 0.540 416 A N 1.261 123.902 122.820 -0.298 0.000 1.958 416 A HA -0.178 4.147 4.320 0.007 0.000 0.221 416 A C -0.545 176.781 177.584 -0.430 0.000 1.178 416 A CA 1.681 53.491 52.037 -0.377 0.000 0.642 416 A CB -1.325 17.394 19.000 -0.467 0.000 0.816 416 A HN 0.284 nan 8.150 nan 0.000 0.453 417 P HA 0.102 nan 4.420 nan 0.000 0.255 417 P C 0.301 177.394 177.300 -0.346 0.000 1.248 417 P CA 0.657 63.515 63.100 -0.404 0.000 0.807 417 P CB -0.389 31.067 31.700 -0.406 0.000 1.150 418 T N -2.536 111.831 114.554 -0.311 0.000 2.882 418 T HA 0.200 4.555 4.350 0.007 0.000 0.287 418 T C 1.121 175.509 174.700 -0.520 0.000 1.014 418 T CA -0.678 61.231 62.100 -0.317 0.000 1.049 418 T CB 0.876 69.357 68.868 -0.645 0.000 1.001 418 T HN -0.170 nan 8.240 nan 0.000 0.525 419 L N 1.504 122.364 121.223 -0.605 0.000 2.017 419 L HA 0.016 4.361 4.340 0.007 0.000 0.208 419 L C 2.436 179.017 176.870 -0.482 0.000 1.073 419 L CA 1.674 56.052 54.840 -0.769 0.000 0.745 419 L CB -0.805 40.717 42.059 -0.894 0.000 0.894 419 L HN 0.912 nan 8.230 nan 0.000 0.432 420 W N -0.666 120.448 121.300 -0.310 0.000 2.409 420 W HA 0.035 4.699 4.660 0.007 0.000 0.299 420 W C 2.083 178.478 176.519 -0.207 0.000 1.203 420 W CA 0.791 57.975 57.345 -0.268 0.000 1.298 420 W CB -1.521 27.814 29.460 -0.208 0.000 1.127 420 W HN 0.312 nan 8.180 nan 0.000 0.528 421 A N 1.882 124.241 122.820 -0.768 0.000 1.908 421 A HA -0.180 4.144 4.320 0.007 0.000 0.218 421 A C 2.258 179.707 177.584 -0.226 0.000 1.181 421 A CA 2.114 53.857 52.037 -0.490 0.000 0.627 421 A CB -0.791 17.809 19.000 -0.667 0.000 0.818 421 A HN 0.340 nan 8.150 nan 0.000 0.445 422 R N -1.284 119.017 120.500 -0.332 0.000 2.062 422 R HA 0.108 4.452 4.340 0.007 0.000 0.226 422 R C 2.324 178.514 176.300 -0.184 0.000 1.125 422 R CA 1.553 57.497 56.100 -0.261 0.000 0.966 422 R CB -0.306 29.704 30.300 -0.483 0.000 0.861 422 R HN 0.512 nan 8.270 nan 0.000 0.433 423 M N -0.226 119.109 119.600 -0.441 0.000 2.193 423 M HA -0.023 4.461 4.480 0.007 0.000 0.265 423 M C 1.990 178.240 176.300 -0.083 0.000 1.071 423 M CA 1.546 56.651 55.300 -0.326 0.000 1.140 423 M CB 0.045 32.352 32.600 -0.489 0.000 1.369 423 M HN 0.110 nan 8.290 nan 0.000 0.423 424 I N -0.873 119.469 120.570 -0.380 0.000 2.726 424 I HA -0.130 4.044 4.170 0.007 0.000 0.243 424 I C 2.060 177.996 176.117 -0.302 0.000 1.082 424 I CA 0.185 60.968 61.300 -0.862 0.000 1.447 424 I CB -0.277 37.145 38.000 -0.964 0.000 1.250 424 I HN 0.099 nan 8.210 nan 0.000 0.453 425 L N 0.543 121.749 121.223 -0.028 0.000 1.970 425 L HA -0.223 4.122 4.340 0.007 0.000 0.212 425 L C 2.577 179.705 176.870 0.430 0.000 1.071 425 L CA 2.199 57.196 54.840 0.261 0.000 0.751 425 L CB -0.850 41.413 42.059 0.340 0.000 0.889 425 L HN 0.203 nan 8.230 nan 0.000 0.432 426 M N -1.777 118.084 119.600 0.435 0.000 2.065 426 M HA -0.233 4.251 4.480 0.007 0.000 0.259 426 M C 2.126 178.918 176.300 0.821 0.000 1.069 426 M CA 2.282 57.983 55.300 0.669 0.000 1.110 426 M CB -0.896 31.991 32.600 0.479 0.000 1.328 426 M HN 0.259 nan 8.290 nan 0.000 0.405 427 T N -0.937 114.079 114.554 0.771 0.000 2.620 427 T HA -0.288 4.067 4.350 0.007 0.000 0.267 427 T C 1.641 176.641 174.700 0.500 0.000 1.044 427 T CA 2.281 64.788 62.100 0.678 0.000 1.161 427 T CB -0.687 68.638 68.868 0.761 0.000 0.862 427 T HN 0.484 nan 8.240 nan 0.000 0.438 428 H N 0.261 119.529 119.070 0.330 0.000 2.270 428 H HA -0.037 4.523 4.556 0.007 0.000 0.299 428 H C 1.830 177.056 175.328 -0.170 0.000 1.077 428 H CA 1.716 57.805 56.048 0.069 0.000 1.294 428 H CB -0.532 29.097 29.762 -0.223 0.000 1.371 428 H HN 0.378 nan 8.280 nan 0.000 0.491 429 F N -1.157 118.727 119.950 -0.110 0.000 2.367 429 F HA 0.029 4.560 4.527 0.007 0.000 0.298 429 F C 1.980 177.610 175.800 -0.283 0.000 1.094 429 F CA 0.463 58.188 58.000 -0.458 0.000 1.409 429 F CB -0.480 37.937 39.000 -0.971 0.000 1.064 429 F HN 0.143 nan 8.300 nan 0.000 0.528 430 F N -0.585 119.465 119.950 0.166 0.000 2.146 430 F HA -0.195 4.336 4.527 0.007 0.000 0.298 430 F C 2.760 178.588 175.800 0.047 0.000 1.096 430 F CA 1.541 59.641 58.000 0.168 0.000 1.275 430 F CB -0.913 38.263 39.000 0.293 0.000 1.008 430 F HN -0.099 nan 8.300 nan 0.000 0.480 431 S N 0.600 116.394 115.700 0.157 0.000 2.359 431 S HA -0.198 4.276 4.470 0.007 0.000 0.222 431 S C 2.186 176.753 174.600 -0.054 0.000 1.038 431 S CA 1.618 59.828 58.200 0.017 0.000 1.051 431 S CB -0.459 62.727 63.200 -0.024 0.000 0.944 431 S HN 0.168 nan 8.310 nan 0.000 0.433 432 I N 1.507 121.969 120.570 -0.180 0.000 2.118 432 I HA -0.146 4.028 4.170 0.007 0.000 0.241 432 I C 2.347 178.430 176.117 -0.056 0.000 1.070 432 I CA 1.258 62.454 61.300 -0.174 0.000 1.327 432 I CB -1.588 36.234 38.000 -0.298 0.000 1.034 432 I HN 0.339 nan 8.210 nan 0.000 0.405 433 L N -0.252 120.954 121.223 -0.028 0.000 2.046 433 L HA -0.162 4.182 4.340 0.007 0.000 0.208 433 L C 2.413 179.312 176.870 0.048 0.000 1.077 433 L CA 1.355 56.207 54.840 0.020 0.000 0.747 433 L CB -1.459 40.601 42.059 0.002 0.000 0.896 433 L HN 0.192 nan 8.230 nan 0.000 0.432 434 L N -0.274 120.991 121.223 0.070 0.000 2.083 434 L HA -0.110 4.235 4.340 0.007 0.000 0.209 434 L C 2.538 179.431 176.870 0.038 0.000 1.083 434 L CA 1.891 56.777 54.840 0.077 0.000 0.752 434 L CB -0.975 41.142 42.059 0.097 0.000 0.899 434 L HN 0.209 nan 8.230 nan 0.000 0.433 435 A N -0.935 121.894 122.820 0.015 0.000 1.892 435 A HA -0.289 4.035 4.320 0.007 0.000 0.218 435 A C 2.107 179.697 177.584 0.010 0.000 1.188 435 A CA 2.167 54.205 52.037 0.001 0.000 0.631 435 A CB -0.575 18.414 19.000 -0.019 0.000 0.822 435 A HN 0.682 nan 8.150 nan 0.000 0.447 436 Q N -1.303 118.507 119.800 0.017 0.000 2.360 436 Q HA 0.120 4.464 4.340 0.007 0.000 0.202 436 Q C -0.562 175.458 176.000 0.033 0.000 0.915 436 Q CA 0.302 56.119 55.803 0.023 0.000 0.943 436 Q CB 0.300 29.055 28.738 0.028 0.000 1.064 436 Q HN 0.680 nan 8.270 nan 0.000 0.511 437 E N 0.287 120.510 120.200 0.039 0.000 2.637 437 E HA -0.243 4.111 4.350 0.007 0.000 0.265 437 E C -0.133 176.500 176.600 0.055 0.000 1.073 437 E CA 0.321 56.749 56.400 0.047 0.000 0.778 437 E CB -1.025 28.698 29.700 0.038 0.000 1.362 437 E HN 0.530 nan 8.360 nan 0.000 0.413 438 Q N -0.295 119.542 119.800 0.062 0.000 2.204 438 Q HA 0.107 4.452 4.340 0.007 0.000 0.209 438 Q C 1.652 177.700 176.000 0.080 0.000 0.861 438 Q CA -0.161 55.684 55.803 0.070 0.000 0.971 438 Q CB 0.370 29.154 28.738 0.078 0.000 1.095 438 Q HN 0.219 nan 8.270 nan 0.000 0.486 439 L N 1.369 122.642 121.223 0.085 0.000 2.056 439 L HA -0.140 4.205 4.340 0.007 0.000 0.207 439 L C 1.761 178.694 176.870 0.104 0.000 1.078 439 L CA 1.963 56.865 54.840 0.103 0.000 0.749 439 L CB -0.149 41.995 42.059 0.141 0.000 0.901 439 L HN 0.171 nan 8.230 nan 0.000 0.433 440 E N -1.018 119.237 120.200 0.092 0.000 2.338 440 E HA -0.158 4.196 4.350 0.007 0.000 0.197 440 E C 0.595 177.241 176.600 0.077 0.000 1.007 440 E CA 0.250 56.700 56.400 0.083 0.000 0.849 440 E CB 0.075 29.816 29.700 0.069 0.000 0.774 440 E HN 0.097 nan 8.360 nan 0.000 0.506 441 K N 0.842 121.289 120.400 0.079 0.000 2.185 441 K HA 0.313 4.637 4.320 0.007 0.000 0.271 441 K C -0.656 175.993 176.600 0.081 0.000 1.013 441 K CA -0.205 56.129 56.287 0.078 0.000 0.943 441 K CB 0.982 33.531 32.500 0.082 0.000 0.998 441 K HN -0.017 nan 8.250 nan 0.000 0.468 442 A N 3.691 126.559 122.820 0.079 0.000 2.322 442 A HA 0.635 4.959 4.320 0.007 0.000 0.269 442 A C -0.877 176.752 177.584 0.075 0.000 1.094 442 A CA -0.450 51.632 52.037 0.074 0.000 0.807 442 A CB 0.169 19.215 19.000 0.077 0.000 1.047 442 A HN 0.627 nan 8.150 nan 0.000 0.487 443 L N 0.772 122.022 121.223 0.044 0.000 2.409 443 L HA 0.390 4.734 4.340 0.007 0.000 0.262 443 L C -1.319 175.539 176.870 -0.019 0.000 0.992 443 L CA -0.966 53.882 54.840 0.013 0.000 0.817 443 L CB 2.474 44.510 42.059 -0.039 0.000 1.350 443 L HN 0.589 nan 8.230 nan 0.000 0.411 444 D N 1.187 121.579 120.400 -0.013 0.000 2.177 444 D HA 0.574 5.218 4.640 0.007 0.000 0.247 444 D C -0.520 175.720 176.300 -0.100 0.000 1.063 444 D CA -0.011 53.987 54.000 -0.005 0.000 0.867 444 D CB 1.695 42.554 40.800 0.098 0.000 1.168 444 D HN 0.636 nan 8.370 nan 0.000 0.445 445 C N 1.183 120.422 119.300 -0.102 0.000 3.316 445 C HA 0.849 5.313 4.460 0.007 0.000 0.360 445 C C -1.866 173.083 174.990 -0.069 0.000 1.560 445 C CA -0.779 58.155 59.018 -0.140 0.000 1.229 445 C CB 1.315 28.912 27.740 -0.239 0.000 1.823 445 C HN 0.696 nan 8.230 nan 0.000 0.440 446 Q N 0.938 120.705 119.800 -0.056 0.000 2.309 446 Q HA 0.793 5.137 4.340 0.007 0.000 0.273 446 Q C -1.881 174.120 176.000 0.002 0.000 1.040 446 Q CA -0.567 55.240 55.803 0.007 0.000 0.834 446 Q CB 1.825 30.574 28.738 0.019 0.000 1.345 446 Q HN 0.670 nan 8.270 nan 0.000 0.414 447 I N 2.701 123.269 120.570 -0.003 0.000 2.406 447 I HA 0.295 4.470 4.170 0.007 0.000 0.290 447 I C -0.842 175.370 176.117 0.159 0.000 0.999 447 I CA -0.485 60.763 61.300 -0.086 0.000 1.124 447 I CB 0.946 38.619 38.000 -0.545 0.000 1.289 447 I HN 0.589 nan 8.210 nan 0.000 0.441 448 Y N 5.283 125.672 120.300 0.148 0.000 3.589 448 Y HA -0.231 4.323 4.550 0.008 0.000 0.218 448 Y C 1.538 177.488 175.900 0.083 0.000 1.234 448 Y CA 0.927 59.144 58.100 0.195 0.000 1.576 448 Y CB -1.956 36.661 38.460 0.261 0.000 1.487 448 Y HN 0.993 nan 8.280 nan 0.000 0.616 449 G N -2.071 106.865 108.800 0.227 0.000 2.284 449 G HA2 -0.046 3.918 3.960 0.007 0.000 0.247 449 G HA3 -0.046 3.918 3.960 0.007 0.000 0.247 449 G C 0.481 175.453 174.900 0.119 0.000 1.012 449 G CA 0.240 45.425 45.100 0.141 0.000 0.618 449 G HN 1.581 nan 8.290 nan 0.000 0.521 450 A N -0.386 122.518 122.820 0.140 0.000 2.327 450 A HA 0.624 4.948 4.320 0.007 0.000 0.283 450 A C 0.623 178.094 177.584 -0.190 0.000 1.127 450 A CA 0.486 52.494 52.037 -0.049 0.000 0.810 450 A CB 0.926 19.864 19.000 -0.103 0.000 1.066 450 A HN 1.572 nan 8.150 nan 0.000 0.492 451 C N 3.017 122.129 119.300 -0.315 0.000 2.307 451 C HA 0.733 5.197 4.460 0.007 0.000 0.340 451 C C -0.993 173.625 174.990 -0.619 0.000 1.275 451 C CA -0.528 58.328 59.018 -0.270 0.000 1.811 451 C CB -1.539 26.166 27.740 -0.059 0.000 2.372 451 C HN 0.646 nan 8.230 nan 0.000 0.531 452 Y N 3.342 123.423 120.300 -0.364 0.000 2.429 452 Y HA 0.487 5.041 4.550 0.007 0.000 0.342 452 Y C 0.540 176.264 175.900 -0.293 0.000 1.004 452 Y CA -0.250 57.589 58.100 -0.435 0.000 1.075 452 Y CB 1.778 39.912 38.460 -0.544 0.000 1.214 452 Y HN 0.637 nan 8.280 nan 0.000 0.455 453 S N 3.646 119.274 115.700 -0.120 0.000 2.508 453 S HA 0.808 5.283 4.470 0.007 0.000 0.284 453 S C -0.964 173.666 174.600 0.050 0.000 1.192 453 S CA -0.273 57.926 58.200 -0.001 0.000 1.070 453 S CB 0.002 63.234 63.200 0.054 0.000 1.004 453 S HN 0.550 nan 8.310 nan 0.000 0.493 454 I N 3.177 123.772 120.570 0.041 0.000 2.680 454 I HA 0.272 4.446 4.170 0.007 0.000 0.291 454 I C -0.680 175.464 176.117 0.045 0.000 1.244 454 I CA -0.552 60.783 61.300 0.058 0.000 1.042 454 I CB 2.354 40.385 38.000 0.050 0.000 1.277 454 I HN 0.604 nan 8.210 nan 0.000 0.423 455 E N 7.254 127.493 120.200 0.065 0.000 2.259 455 E HA 0.165 4.519 4.350 0.007 0.000 0.281 455 E C -1.653 174.999 176.600 0.087 0.000 1.037 455 E CA -1.599 54.844 56.400 0.072 0.000 0.854 455 E CB 1.139 30.885 29.700 0.075 0.000 1.051 455 E HN 0.350 nan 8.360 nan 0.000 0.409 456 P HA -0.145 nan 4.420 nan 0.000 0.221 456 P C 1.306 178.753 177.300 0.244 0.000 1.150 456 P CA 0.908 64.079 63.100 0.119 0.000 0.800 456 P CB 0.276 31.985 31.700 0.016 0.000 0.787 457 L N 0.055 121.412 121.223 0.223 0.000 2.187 457 L HA -0.145 4.200 4.340 0.007 0.000 0.213 457 L C 1.399 178.365 176.870 0.160 0.000 1.100 457 L CA 1.373 56.354 54.840 0.235 0.000 0.765 457 L CB -0.812 41.345 42.059 0.164 0.000 0.904 457 L HN -0.064 nan 8.230 nan 0.000 0.437 458 D N -0.582 119.891 120.400 0.123 0.000 2.324 458 D HA -0.005 4.639 4.640 0.007 0.000 0.235 458 D C 1.796 178.147 176.300 0.085 0.000 1.095 458 D CA 0.193 54.237 54.000 0.074 0.000 0.871 458 D CB 0.442 41.270 40.800 0.047 0.000 0.906 458 D HN 0.151 nan 8.370 nan 0.000 0.522 459 L N 0.721 122.041 121.223 0.162 0.000 2.093 459 L HA -0.011 4.333 4.340 0.007 0.000 0.208 459 L C -0.600 176.369 176.870 0.166 0.000 1.085 459 L CA 1.465 56.419 54.840 0.190 0.000 0.755 459 L CB -1.419 40.837 42.059 0.327 0.000 0.904 459 L HN 0.028 nan 8.230 nan 0.000 0.435 460 P HA -0.183 nan 4.420 nan 0.000 0.215 460 P C 1.444 178.782 177.300 0.063 0.000 1.153 460 P CA 1.208 64.337 63.100 0.047 0.000 0.853 460 P CB 0.100 31.649 31.700 -0.251 0.000 0.788 461 Q N -1.019 118.766 119.800 -0.025 0.000 2.123 461 Q HA -0.040 4.305 4.340 0.007 0.000 0.199 461 Q C 2.154 178.126 176.000 -0.047 0.000 0.966 461 Q CA 1.189 56.961 55.803 -0.051 0.000 0.845 461 Q CB -0.931 27.765 28.738 -0.071 0.000 0.907 461 Q HN 0.276 nan 8.270 nan 0.000 0.439 462 I N -0.289 120.257 120.570 -0.039 0.000 2.233 462 I HA -0.219 3.955 4.170 0.007 0.000 0.243 462 I C 1.897 177.987 176.117 -0.044 0.000 1.093 462 I CA 0.944 62.179 61.300 -0.109 0.000 1.380 462 I CB -0.216 37.730 38.000 -0.089 0.000 1.067 462 I HN 0.149 nan 8.210 nan 0.000 0.413 463 I N 0.653 121.260 120.570 0.061 0.000 2.208 463 I HA -0.327 3.847 4.170 0.007 0.000 0.245 463 I C 2.635 178.753 176.117 0.003 0.000 1.097 463 I CA 1.577 62.928 61.300 0.086 0.000 1.363 463 I CB -0.423 37.605 38.000 0.047 0.000 1.051 463 I HN 0.320 nan 8.210 nan 0.000 0.413 464 E N 1.047 121.267 120.200 0.032 0.000 2.058 464 E HA -0.258 4.096 4.350 0.007 0.000 0.194 464 E C 2.393 178.974 176.600 -0.031 0.000 0.997 464 E CA 1.226 57.640 56.400 0.025 0.000 0.801 464 E CB 0.076 29.842 29.700 0.111 0.000 0.746 464 E HN 0.288 nan 8.360 nan 0.000 0.450 465 R N 0.054 120.514 120.500 -0.066 0.000 2.115 465 R HA -0.062 4.282 4.340 0.007 0.000 0.230 465 R C 2.453 178.672 176.300 -0.135 0.000 1.111 465 R CA 0.777 56.813 56.100 -0.107 0.000 0.976 465 R CB -0.303 29.900 30.300 -0.161 0.000 0.870 465 R HN 0.365 nan 8.270 nan 0.000 0.445 466 L N -1.039 120.084 121.223 -0.167 0.000 2.127 466 L HA -0.052 4.292 4.340 0.007 0.000 0.203 466 L C 1.993 178.610 176.870 -0.420 0.000 1.080 466 L CA 1.073 55.733 54.840 -0.301 0.000 0.768 466 L CB -0.391 41.447 42.059 -0.367 0.000 0.924 466 L HN 0.241 nan 8.230 nan 0.000 0.444 467 H N -0.672 118.314 119.070 -0.140 0.000 2.788 467 H HA 0.264 4.824 4.556 0.007 0.000 0.262 467 H C 0.879 176.114 175.328 -0.156 0.000 0.968 467 H CA 0.749 56.702 56.048 -0.158 0.000 1.218 467 H CB 0.969 30.606 29.762 -0.208 0.000 1.443 467 H HN 0.284 nan 8.280 nan 0.000 0.478 468 G N 1.563 110.339 108.800 -0.040 0.000 2.731 468 G HA2 -0.242 3.723 3.960 0.007 0.000 0.686 468 G HA3 -0.242 3.723 3.960 0.007 0.000 0.686 468 G C 0.510 175.353 174.900 -0.095 0.000 1.395 468 G CA -0.161 44.914 45.100 -0.042 0.000 0.870 468 G HN 0.110 nan 8.290 nan 0.000 0.591 469 L N 1.639 122.873 121.223 0.018 0.000 2.151 469 L HA -0.165 4.180 4.340 0.007 0.000 0.215 469 L C 3.146 180.026 176.870 0.017 0.000 1.084 469 L CA 2.753 57.675 54.840 0.136 0.000 0.764 469 L CB -1.196 41.015 42.059 0.254 0.000 0.891 469 L HN 0.974 nan 8.230 nan 0.000 0.435 470 S N -0.993 114.691 115.700 -0.026 0.000 2.399 470 S HA -0.355 4.120 4.470 0.007 0.000 0.235 470 S C 2.114 176.629 174.600 -0.141 0.000 1.063 470 S CA 1.550 59.714 58.200 -0.059 0.000 1.070 470 S CB -0.248 62.913 63.200 -0.064 0.000 0.904 470 S HN 0.574 nan 8.310 nan 0.000 0.456 471 A N -0.296 122.352 122.820 -0.288 0.000 2.019 471 A HA 0.046 4.371 4.320 0.007 0.000 0.219 471 A C 1.547 178.941 177.584 -0.316 0.000 1.164 471 A CA 1.251 53.043 52.037 -0.409 0.000 0.644 471 A CB -0.677 17.968 19.000 -0.593 0.000 0.805 471 A HN 0.604 nan 8.150 nan 0.000 0.449 472 F N 0.009 119.965 119.950 0.010 0.000 2.811 472 F HA 0.111 4.643 4.527 0.007 0.000 0.301 472 F C 1.990 177.831 175.800 0.067 0.000 1.151 472 F CA 1.147 59.179 58.000 0.054 0.000 1.412 472 F CB -0.228 38.827 39.000 0.091 0.000 1.113 472 F HN 0.333 nan 8.300 nan 0.000 0.579 473 T N -3.933 110.717 114.554 0.161 0.000 3.186 473 T HA 0.269 4.623 4.350 0.007 0.000 0.292 473 T C 0.287 175.051 174.700 0.107 0.000 0.915 473 T CA -0.133 62.060 62.100 0.154 0.000 0.902 473 T CB -0.602 68.348 68.868 0.137 0.000 1.192 473 T HN -0.066 nan 8.240 nan 0.000 0.563 474 L N 3.424 124.617 121.223 -0.050 0.000 2.514 474 L HA 0.397 4.741 4.340 0.007 0.000 0.280 474 L C 0.676 177.453 176.870 -0.155 0.000 1.223 474 L CA 0.231 54.918 54.840 -0.255 0.000 0.864 474 L CB 0.078 41.834 42.059 -0.506 0.000 1.118 474 L HN 0.678 nan 8.230 nan 0.000 0.494 475 H N -0.610 118.286 119.070 -0.290 0.000 2.933 475 H HA 0.344 4.904 4.556 0.007 0.000 0.310 475 H C -0.141 175.090 175.328 -0.161 0.000 1.351 475 H CA -0.605 55.365 56.048 -0.130 0.000 1.137 475 H CB 1.171 30.951 29.762 0.029 0.000 1.853 475 H HN 0.409 nan 8.280 nan 0.000 0.539 476 S N 0.075 115.891 115.700 0.194 0.000 3.667 476 S HA -0.212 4.262 4.470 0.007 0.000 0.405 476 S C -0.917 173.704 174.600 0.035 0.000 0.913 476 S CA 0.103 58.420 58.200 0.196 0.000 1.288 476 S CB -2.063 61.315 63.200 0.297 0.000 0.905 476 S HN 0.591 nan 8.310 nan 0.000 0.550 477 Y N 2.231 122.546 120.300 0.024 0.000 2.330 477 Y HA 0.416 4.970 4.550 0.007 0.000 0.341 477 Y C 1.382 177.302 175.900 0.033 0.000 1.278 477 Y CA 0.401 58.507 58.100 0.010 0.000 1.453 477 Y CB 0.408 38.882 38.460 0.024 0.000 1.342 477 Y HN 0.641 nan 8.280 nan 0.000 0.590 478 S N 1.182 117.003 115.700 0.201 0.000 2.584 478 S HA 0.131 4.606 4.470 0.007 0.000 0.270 478 S C -2.012 172.660 174.600 0.120 0.000 1.346 478 S CA -0.988 57.282 58.200 0.117 0.000 1.018 478 S CB 1.093 64.338 63.200 0.075 0.000 0.899 478 S HN 0.451 nan 8.310 nan 0.000 0.542 479 P HA 0.138 nan 4.420 nan 0.000 0.220 479 P C 1.682 179.014 177.300 0.053 0.000 1.152 479 P CA 1.189 64.329 63.100 0.066 0.000 0.812 479 P CB -0.463 31.269 31.700 0.053 0.000 0.792 480 G N 0.508 109.336 108.800 0.047 0.000 2.421 480 G HA2 -0.290 3.674 3.960 0.007 0.000 0.216 480 G HA3 -0.290 3.674 3.960 0.007 0.000 0.216 480 G C 1.690 176.613 174.900 0.039 0.000 1.171 480 G CA 0.948 46.068 45.100 0.033 0.000 0.775 480 G HN 0.250 nan 8.290 nan 0.000 0.543 481 E N 0.635 120.876 120.200 0.068 0.000 2.051 481 E HA -0.074 4.281 4.350 0.007 0.000 0.192 481 E C 2.449 179.084 176.600 0.058 0.000 0.991 481 E CA 0.923 57.377 56.400 0.089 0.000 0.799 481 E CB -0.387 29.426 29.700 0.188 0.000 0.748 481 E HN 0.522 nan 8.360 nan 0.000 0.449 482 I N 0.674 121.278 120.570 0.056 0.000 2.179 482 I HA -0.277 3.897 4.170 0.007 0.000 0.242 482 I C 2.313 178.439 176.117 0.014 0.000 1.088 482 I CA 1.200 62.513 61.300 0.021 0.000 1.357 482 I CB -0.458 37.565 38.000 0.039 0.000 1.051 482 I HN 0.202 nan 8.210 nan 0.000 0.409 483 N N 0.606 119.319 118.700 0.023 0.000 2.069 483 N HA -0.254 4.490 4.740 0.007 0.000 0.191 483 N C 2.055 177.565 175.510 -0.000 0.000 1.031 483 N CA 1.395 54.454 53.050 0.014 0.000 0.852 483 N CB -0.177 38.320 38.487 0.017 0.000 1.018 483 N HN 0.313 nan 8.380 nan 0.000 0.423 484 R N 1.315 121.812 120.500 -0.006 0.000 2.080 484 R HA -0.105 4.240 4.340 0.007 0.000 0.236 484 R C 2.212 178.482 176.300 -0.051 0.000 1.137 484 R CA 1.238 57.319 56.100 -0.030 0.000 0.943 484 R CB -0.398 29.879 30.300 -0.038 0.000 0.846 484 R HN -0.026 nan 8.270 nan 0.000 0.431 485 V N 1.127 121.014 119.914 -0.046 0.000 2.282 485 V HA -0.297 3.827 4.120 0.007 0.000 0.249 485 V C 2.485 178.553 176.094 -0.043 0.000 1.057 485 V CA 2.119 64.381 62.300 -0.063 0.000 1.032 485 V CB -0.813 30.996 31.823 -0.024 0.000 0.645 485 V HN 0.621 nan 8.190 nan 0.000 0.447 486 A N 0.345 123.154 122.820 -0.018 0.000 1.898 486 A HA -0.188 4.136 4.320 0.007 0.000 0.216 486 A C 2.562 180.148 177.584 0.003 0.000 1.181 486 A CA 2.137 54.174 52.037 0.001 0.000 0.620 486 A CB -0.797 18.210 19.000 0.012 0.000 0.819 486 A HN 0.686 nan 8.150 nan 0.000 0.442 487 S N -0.854 114.844 115.700 -0.003 0.000 2.399 487 S HA -0.226 4.249 4.470 0.007 0.000 0.231 487 S C 2.060 176.658 174.600 -0.004 0.000 1.022 487 S CA 1.466 59.666 58.200 0.001 0.000 0.983 487 S CB -1.424 61.774 63.200 -0.003 0.000 0.803 487 S HN 0.781 nan 8.310 nan 0.000 0.480 488 C N 1.567 120.850 119.300 -0.029 0.000 2.446 488 C HA 0.203 4.668 4.460 0.007 0.000 0.277 488 C C 2.628 177.605 174.990 -0.022 0.000 1.275 488 C CA 0.497 59.489 59.018 -0.043 0.000 1.727 488 C CB -1.706 25.971 27.740 -0.105 0.000 2.010 488 C HN 0.686 nan 8.230 nan 0.000 0.486 489 L N 0.398 121.612 121.223 -0.016 0.000 2.127 489 L HA -0.123 4.221 4.340 0.007 0.000 0.211 489 L C 2.971 179.853 176.870 0.019 0.000 1.089 489 L CA 1.636 56.480 54.840 0.008 0.000 0.757 489 L CB -0.870 41.211 42.059 0.036 0.000 0.899 489 L HN 0.441 nan 8.230 nan 0.000 0.434 490 R N 0.141 120.661 120.500 0.034 0.000 2.055 490 R HA -0.120 4.224 4.340 0.007 0.000 0.226 490 R C 2.317 178.689 176.300 0.120 0.000 1.135 490 R CA 0.808 56.946 56.100 0.063 0.000 0.959 490 R CB -0.253 30.083 30.300 0.059 0.000 0.854 490 R HN 0.222 nan 8.270 nan 0.000 0.431 491 K N 1.248 121.706 120.400 0.096 0.000 2.052 491 K HA -0.200 4.124 4.320 0.007 0.000 0.215 491 K C 1.829 178.578 176.600 0.249 0.000 1.053 491 K CA 1.657 58.020 56.287 0.127 0.000 0.934 491 K CB -0.176 32.362 32.500 0.063 0.000 0.717 491 K HN 0.163 nan 8.250 nan 0.000 0.450 492 L N -0.449 120.852 121.223 0.129 0.000 2.554 492 L HA 0.069 4.413 4.340 0.007 0.000 0.226 492 L C 1.040 177.792 176.870 -0.196 0.000 1.137 492 L CA 0.519 55.411 54.840 0.087 0.000 0.863 492 L CB 0.056 42.131 42.059 0.027 0.000 0.985 492 L HN 0.686 nan 8.230 nan 0.000 0.451 493 G N 0.630 109.172 108.800 -0.431 0.000 2.198 493 G HA2 -0.252 3.712 3.960 0.007 0.000 0.260 493 G HA3 -0.252 3.712 3.960 0.007 0.000 0.260 493 G C 0.181 174.932 174.900 -0.249 0.000 1.025 493 G CA 0.185 44.860 45.100 -0.707 0.000 0.769 493 G HN 0.128 nan 8.290 nan 0.000 0.507 494 V N 2.422 122.286 119.914 -0.083 0.000 2.508 494 V HA 0.328 4.452 4.120 0.007 0.000 0.281 494 V C -0.886 175.284 176.094 0.126 0.000 1.041 494 V CA -1.193 61.145 62.300 0.063 0.000 1.016 494 V CB 1.147 33.025 31.823 0.093 0.000 0.984 494 V HN 0.274 nan 8.190 nan 0.000 0.478 495 P HA 0.140 nan 4.420 nan 0.000 0.267 495 P C -2.586 174.850 177.300 0.227 0.000 1.200 495 P CA -1.096 62.050 63.100 0.076 0.000 0.772 495 P CB -0.193 31.416 31.700 -0.152 0.000 0.855 496 P HA 0.136 nan 4.420 nan 0.000 0.274 496 P C 1.296 178.751 177.300 0.259 0.000 1.237 496 P CA -0.250 62.947 63.100 0.163 0.000 0.793 496 P CB 0.910 32.654 31.700 0.072 0.000 0.977 497 L N 0.523 121.901 121.223 0.259 0.000 2.051 497 L HA -0.236 4.108 4.340 0.007 0.000 0.214 497 L C 2.909 179.881 176.870 0.170 0.000 1.076 497 L CA 1.646 56.650 54.840 0.274 0.000 0.758 497 L CB -0.765 41.353 42.059 0.098 0.000 0.890 497 L HN 0.556 nan 8.230 nan 0.000 0.433 498 R N 0.164 120.685 120.500 0.034 0.000 2.162 498 R HA -0.259 4.085 4.340 0.007 0.000 0.245 498 R C 2.115 178.166 176.300 -0.416 0.000 1.129 498 R CA 2.743 58.753 56.100 -0.150 0.000 0.940 498 R CB -0.787 29.468 30.300 -0.074 0.000 0.875 498 R HN 0.311 nan 8.270 nan 0.000 0.437 499 T N -0.270 114.146 114.554 -0.230 0.000 2.720 499 T HA -0.179 4.175 4.350 0.007 0.000 0.268 499 T C 1.418 175.963 174.700 -0.258 0.000 1.037 499 T CA 1.868 63.806 62.100 -0.269 0.000 1.144 499 T CB -0.375 68.311 68.868 -0.305 0.000 0.864 499 T HN 0.511 nan 8.240 nan 0.000 0.444 500 W N 1.328 122.627 121.300 -0.002 0.000 2.388 500 W HA 0.061 4.725 4.660 0.007 0.000 0.294 500 W C 2.731 179.380 176.519 0.216 0.000 1.212 500 W CA 0.430 57.844 57.345 0.114 0.000 1.271 500 W CB -0.220 29.315 29.460 0.124 0.000 1.126 500 W HN 0.104 nan 8.180 nan 0.000 0.535 501 R N -0.385 120.333 120.500 0.364 0.000 2.081 501 R HA -0.184 4.161 4.340 0.007 0.000 0.235 501 R C 2.091 178.503 176.300 0.187 0.000 1.131 501 R CA 1.799 58.116 56.100 0.362 0.000 0.960 501 R CB -0.506 29.945 30.300 0.252 0.000 0.856 501 R HN 0.207 nan 8.270 nan 0.000 0.436 502 H N 0.093 119.225 119.070 0.104 0.000 2.321 502 H HA -0.054 4.506 4.556 0.007 0.000 0.300 502 H C 2.160 177.473 175.328 -0.025 0.000 1.087 502 H CA 1.456 57.511 56.048 0.012 0.000 1.319 502 H CB -0.256 29.495 29.762 -0.018 0.000 1.379 502 H HN 0.219 nan 8.280 nan 0.000 0.501 503 R N 0.341 120.898 120.500 0.094 0.000 2.083 503 R HA -0.076 4.269 4.340 0.007 0.000 0.237 503 R C 2.534 178.829 176.300 -0.008 0.000 1.137 503 R CA 1.171 57.284 56.100 0.022 0.000 0.951 503 R CB -0.315 29.985 30.300 0.001 0.000 0.851 503 R HN 0.282 nan 8.270 nan 0.000 0.434 504 A N 1.206 124.055 122.820 0.048 0.000 1.908 504 A HA -0.202 4.123 4.320 0.007 0.000 0.218 504 A C 2.082 179.451 177.584 -0.358 0.000 1.181 504 A CA 1.387 53.321 52.037 -0.171 0.000 0.627 504 A CB -0.436 18.513 19.000 -0.085 0.000 0.818 504 A HN 0.248 nan 8.150 nan 0.000 0.445 505 R N -0.900 119.478 120.500 -0.205 0.000 2.127 505 R HA -0.096 4.248 4.340 0.007 0.000 0.238 505 R C 2.524 178.716 176.300 -0.181 0.000 1.134 505 R CA 1.476 57.463 56.100 -0.187 0.000 0.975 505 R CB -0.303 29.946 30.300 -0.085 0.000 0.865 505 R HN 0.522 nan 8.270 nan 0.000 0.447 506 S N -0.270 115.339 115.700 -0.152 0.000 2.371 506 S HA -0.030 4.444 4.470 0.007 0.000 0.221 506 S C 1.956 176.453 174.600 -0.171 0.000 1.036 506 S CA 0.554 58.675 58.200 -0.130 0.000 0.965 506 S CB 0.035 63.182 63.200 -0.089 0.000 0.845 506 S HN 0.065 nan 8.310 nan 0.000 0.475 507 V N 2.584 122.357 119.914 -0.236 0.000 2.252 507 V HA -0.222 3.902 4.120 0.007 0.000 0.249 507 V C 2.623 178.499 176.094 -0.363 0.000 1.056 507 V CA 2.311 64.434 62.300 -0.295 0.000 1.022 507 V CB -0.670 30.903 31.823 -0.416 0.000 0.641 507 V HN 0.452 nan 8.190 nan 0.000 0.445 508 R N -0.115 120.066 120.500 -0.532 0.000 2.096 508 R HA -0.244 4.101 4.340 0.007 0.000 0.240 508 R C 2.290 178.474 176.300 -0.192 0.000 1.139 508 R CA 2.057 57.925 56.100 -0.386 0.000 0.952 508 R CB -0.555 29.538 30.300 -0.345 0.000 0.854 508 R HN 0.511 nan 8.270 nan 0.000 0.436 509 A N 1.101 123.822 122.820 -0.165 0.000 1.883 509 A HA -0.203 4.121 4.320 0.007 0.000 0.217 509 A C 2.079 179.616 177.584 -0.079 0.000 1.186 509 A CA 1.836 53.810 52.037 -0.104 0.000 0.624 509 A CB -0.403 18.542 19.000 -0.092 0.000 0.822 509 A HN 0.386 nan 8.150 nan 0.000 0.444 510 K N -0.504 119.846 120.400 -0.084 0.000 2.057 510 K HA -0.021 4.303 4.320 0.007 0.000 0.207 510 K C 1.871 178.454 176.600 -0.028 0.000 1.049 510 K CA 1.336 57.593 56.287 -0.050 0.000 0.931 510 K CB -0.389 32.084 32.500 -0.045 0.000 0.714 510 K HN 0.482 nan 8.250 nan 0.000 0.440 511 L N 0.900 122.101 121.223 -0.037 0.000 2.042 511 L HA -0.215 4.129 4.340 0.007 0.000 0.210 511 L C 2.311 179.182 176.870 0.000 0.000 1.076 511 L CA 1.134 55.975 54.840 0.001 0.000 0.749 511 L CB -0.504 41.553 42.059 -0.004 0.000 0.893 511 L HN 0.174 nan 8.230 nan 0.000 0.432 512 L N -0.439 120.771 121.223 -0.021 0.000 2.046 512 L HA -0.198 4.146 4.340 0.007 0.000 0.208 512 L C 2.847 179.712 176.870 -0.010 0.000 1.077 512 L CA 1.532 56.362 54.840 -0.017 0.000 0.747 512 L CB -0.601 41.438 42.059 -0.033 0.000 0.896 512 L HN 0.380 nan 8.230 nan 0.000 0.432 513 S N -0.835 114.857 115.700 -0.014 0.000 2.400 513 S HA -0.248 4.226 4.470 0.007 0.000 0.232 513 S C 1.800 176.402 174.600 0.003 0.000 1.025 513 S CA 1.006 59.202 58.200 -0.008 0.000 0.993 513 S CB -0.429 62.763 63.200 -0.012 0.000 0.808 513 S HN 0.492 nan 8.310 nan 0.000 0.478 514 Q N 1.325 121.131 119.800 0.011 0.000 2.224 514 Q HA 0.178 4.522 4.340 0.007 0.000 0.203 514 Q C 1.341 177.354 176.000 0.022 0.000 0.970 514 Q CA 0.516 56.332 55.803 0.022 0.000 0.865 514 Q CB -0.655 28.105 28.738 0.037 0.000 0.922 514 Q HN 0.743 nan 8.270 nan 0.000 0.445 515 G N -0.293 108.518 108.800 0.019 0.000 2.888 515 G HA2 -0.093 3.871 3.960 0.007 0.000 0.441 515 G HA3 -0.093 3.871 3.960 0.007 0.000 0.441 515 G C 0.386 175.302 174.900 0.026 0.000 1.461 515 G CA -0.240 44.872 45.100 0.019 0.000 0.897 515 G HN 0.710 nan 8.290 nan 0.000 0.547 516 G N -0.270 108.544 108.800 0.024 0.000 2.566 516 G HA2 -0.248 3.716 3.960 0.007 0.000 0.280 516 G HA3 -0.248 3.716 3.960 0.007 0.000 0.280 516 G C 1.291 176.210 174.900 0.030 0.000 1.225 516 G CA 1.203 46.319 45.100 0.026 0.000 0.966 516 G HN 1.408 nan 8.290 nan 0.000 0.560 517 R N 0.274 120.795 120.500 0.035 0.000 2.127 517 R HA -0.043 4.301 4.340 0.007 0.000 0.238 517 R C 3.165 179.501 176.300 0.059 0.000 1.134 517 R CA 2.155 58.279 56.100 0.039 0.000 0.975 517 R CB -0.797 29.532 30.300 0.049 0.000 0.865 517 R HN 0.712 nan 8.270 nan 0.000 0.447 518 A N 1.008 123.872 122.820 0.074 0.000 1.873 518 A HA -0.077 4.247 4.320 0.007 0.000 0.215 518 A C 2.371 179.990 177.584 0.058 0.000 1.186 518 A CA 1.605 53.698 52.037 0.093 0.000 0.616 518 A CB -0.586 18.471 19.000 0.096 0.000 0.823 518 A HN 0.364 nan 8.150 nan 0.000 0.442 519 A N -0.892 121.953 122.820 0.041 0.000 1.978 519 A HA -0.118 4.207 4.320 0.007 0.000 0.220 519 A C 2.260 179.868 177.584 0.039 0.000 1.170 519 A CA 2.378 54.433 52.037 0.029 0.000 0.636 519 A CB -1.236 17.777 19.000 0.022 0.000 0.810 519 A HN 0.456 nan 8.150 nan 0.000 0.448 520 T N -0.808 113.772 114.554 0.044 0.000 2.777 520 T HA -0.172 4.183 4.350 0.007 0.000 0.266 520 T C 1.914 176.639 174.700 0.041 0.000 1.040 520 T CA 1.458 63.593 62.100 0.059 0.000 1.141 520 T CB -0.709 68.146 68.868 -0.021 0.000 0.868 520 T HN 0.604 nan 8.240 nan 0.000 0.444 521 C N 1.533 120.830 119.300 -0.005 0.000 2.398 521 C HA -0.060 4.405 4.460 0.007 0.000 0.276 521 C C 3.097 178.062 174.990 -0.042 0.000 1.222 521 C CA 0.667 59.637 59.018 -0.079 0.000 1.746 521 C CB -1.593 26.073 27.740 -0.125 0.000 2.039 521 C HN 0.733 nan 8.230 nan 0.000 0.470 522 G N -0.063 108.756 108.800 0.032 0.000 2.446 522 G HA2 -0.229 3.735 3.960 0.007 0.000 0.217 522 G HA3 -0.229 3.735 3.960 0.007 0.000 0.217 522 G C 1.784 176.723 174.900 0.065 0.000 1.168 522 G CA 0.704 45.863 45.100 0.097 0.000 0.771 522 G HN 0.612 nan 8.290 nan 0.000 0.551 523 R N -1.219 119.287 120.500 0.010 0.000 2.075 523 R HA -0.007 4.338 4.340 0.007 0.000 0.232 523 R C 2.337 178.493 176.300 -0.240 0.000 1.126 523 R CA 1.310 57.350 56.100 -0.100 0.000 0.963 523 R CB -0.314 29.916 30.300 -0.117 0.000 0.858 523 R HN 0.484 nan 8.270 nan 0.000 0.435 524 Y N 0.309 120.402 120.300 -0.346 0.000 2.230 524 Y HA 0.029 4.584 4.550 0.007 0.000 0.294 524 Y C 2.169 177.731 175.900 -0.564 0.000 1.120 524 Y CA 0.715 58.410 58.100 -0.675 0.000 1.129 524 Y CB -0.281 37.504 38.460 -1.126 0.000 1.040 524 Y HN -0.118 nan 8.280 nan 0.000 0.519 525 L N -1.570 119.458 121.223 -0.326 0.000 2.131 525 L HA -0.180 4.164 4.340 0.007 0.000 0.210 525 L C 0.804 177.321 176.870 -0.589 0.000 1.092 525 L CA 1.471 56.041 54.840 -0.450 0.000 0.759 525 L CB -0.416 41.124 42.059 -0.864 0.000 0.903 525 L HN 0.196 nan 8.230 nan 0.000 0.435 526 F N -1.756 118.109 119.950 -0.141 0.000 2.698 526 F HA 0.184 4.715 4.527 0.007 0.000 0.304 526 F C 1.592 177.064 175.800 -0.546 0.000 1.108 526 F CA -0.444 57.252 58.000 -0.507 0.000 1.263 526 F CB -0.543 38.192 39.000 -0.442 0.000 1.013 526 F HN -0.096 nan 8.300 nan 0.000 0.532 527 N N 0.993 119.597 118.700 -0.159 0.000 2.348 527 N HA -0.192 4.552 4.740 0.007 0.000 0.185 527 N C 1.916 177.410 175.510 -0.026 0.000 1.019 527 N CA 1.505 54.494 53.050 -0.102 0.000 0.880 527 N CB -0.202 38.239 38.487 -0.076 0.000 0.965 527 N HN 0.548 nan 8.380 nan 0.000 0.437 528 W N -0.728 120.617 121.300 0.076 0.000 2.595 528 W HA 0.181 4.846 4.660 0.007 0.000 0.257 528 W C 1.236 177.817 176.519 0.103 0.000 1.267 528 W CA 0.580 57.979 57.345 0.089 0.000 1.300 528 W CB -0.702 28.822 29.460 0.106 0.000 1.120 528 W HN 0.014 nan 8.180 nan 0.000 0.618 529 A N 1.574 124.069 122.820 -0.543 0.000 2.123 529 A HA 0.178 4.502 4.320 0.007 0.000 0.214 529 A C 1.104 178.604 177.584 -0.141 0.000 1.152 529 A CA 1.176 52.916 52.037 -0.495 0.000 0.728 529 A CB -0.805 17.682 19.000 -0.855 0.000 0.814 529 A HN 0.153 nan 8.150 nan 0.000 0.464 530 V N -2.519 117.330 119.914 -0.108 0.000 2.732 530 V HA 0.556 4.680 4.120 0.007 0.000 0.310 530 V C 1.014 177.101 176.094 -0.011 0.000 1.053 530 V CA -0.376 61.891 62.300 -0.056 0.000 0.957 530 V CB 1.605 33.381 31.823 -0.079 0.000 1.018 530 V HN 0.554 nan 8.190 nan 0.000 0.452 531 R N 1.230 121.726 120.500 -0.006 0.000 2.064 531 R HA 0.095 4.439 4.340 0.007 0.000 0.221 531 R C 0.788 177.078 176.300 -0.017 0.000 1.136 531 R CA 0.989 57.089 56.100 -0.002 0.000 0.980 531 R CB -0.863 29.439 30.300 0.003 0.000 0.876 531 R HN 0.644 nan 8.270 nan 0.000 0.437 532 T N 3.003 117.542 114.554 -0.024 0.000 3.162 532 T HA 0.129 4.484 4.350 0.007 0.000 0.264 532 T C -0.441 174.234 174.700 -0.041 0.000 0.959 532 T CA 0.233 62.315 62.100 -0.031 0.000 1.118 532 T CB 0.146 68.995 68.868 -0.031 0.000 0.979 532 T HN 0.188 nan 8.240 nan 0.000 0.679 533 K N 2.100 122.476 120.400 -0.040 0.000 2.185 533 K HA 0.383 4.707 4.320 0.007 0.000 0.271 533 K C -0.094 176.468 176.600 -0.064 0.000 1.013 533 K CA -0.881 55.376 56.287 -0.050 0.000 0.943 533 K CB 1.157 33.636 32.500 -0.035 0.000 0.998 533 K HN 0.254 nan 8.250 nan 0.000 0.468 534 L N 2.500 123.669 121.223 -0.091 0.000 2.399 534 L HA 0.154 4.499 4.340 0.007 0.000 0.266 534 L C -0.405 176.391 176.870 -0.123 0.000 1.114 534 L CA -0.124 54.649 54.840 -0.112 0.000 0.804 534 L CB 0.731 42.700 42.059 -0.149 0.000 1.146 534 L HN 0.335 nan 8.230 nan 0.000 0.451 535 K N 5.274 125.608 120.400 -0.109 0.000 2.276 535 K HA 0.360 4.685 4.320 0.007 0.000 0.283 535 K C -0.973 175.540 176.600 -0.146 0.000 1.044 535 K CA 0.035 56.266 56.287 -0.093 0.000 0.944 535 K CB 0.620 33.086 32.500 -0.056 0.000 1.012 535 K HN 0.518 nan 8.250 nan 0.000 0.472 536 L N 3.655 124.797 121.223 -0.135 0.000 2.313 536 L HA 0.210 4.555 4.340 0.007 0.000 0.273 536 L C 0.231 177.091 176.870 -0.016 0.000 1.028 536 L CA -0.580 54.135 54.840 -0.207 0.000 0.871 536 L CB 1.005 42.899 42.059 -0.274 0.000 1.242 536 L HN 0.625 nan 8.230 nan 0.000 0.434 537 T N 0.237 114.805 114.554 0.024 0.000 2.874 537 T HA 0.489 4.843 4.350 0.007 0.000 0.281 537 T C -2.378 172.439 174.700 0.194 0.000 0.994 537 T CA -1.856 60.300 62.100 0.093 0.000 1.015 537 T CB 0.867 69.772 68.868 0.062 0.000 1.028 537 T HN 0.148 nan 8.240 nan 0.000 0.523 538 P HA 0.230 nan 4.420 nan 0.000 0.270 538 P C -0.613 176.754 177.300 0.111 0.000 1.227 538 P CA -0.292 62.893 63.100 0.143 0.000 0.788 538 P CB 0.226 31.975 31.700 0.082 0.000 0.926 539 I N 2.534 123.128 120.570 0.039 0.000 2.337 539 I HA 0.186 4.360 4.170 0.007 0.000 0.285 539 I C -1.499 174.604 176.117 -0.024 0.000 1.041 539 I CA -2.095 59.184 61.300 -0.035 0.000 1.199 539 I CB 1.268 39.158 38.000 -0.184 0.000 1.370 539 I HN 0.222 nan 8.210 nan 0.000 0.470 540 P HA -0.302 nan 4.420 nan 0.000 0.217 540 P C 1.690 178.979 177.300 -0.020 0.000 1.158 540 P CA 1.684 64.781 63.100 -0.006 0.000 0.887 540 P CB 0.275 31.976 31.700 0.000 0.000 0.792 541 A N 0.087 122.890 122.820 -0.028 0.000 1.997 541 A HA -0.199 4.125 4.320 0.007 0.000 0.221 541 A C 2.166 179.724 177.584 -0.044 0.000 1.172 541 A CA 2.077 54.094 52.037 -0.033 0.000 0.645 541 A CB -1.652 17.327 19.000 -0.036 0.000 0.813 541 A HN 0.252 nan 8.150 nan 0.000 0.454 542 A N -0.583 122.206 122.820 -0.052 0.000 2.263 542 A HA 0.336 4.660 4.320 0.007 0.000 0.205 542 A C 1.117 178.662 177.584 -0.064 0.000 1.226 542 A CA 0.860 52.858 52.037 -0.064 0.000 0.810 542 A CB -0.470 18.494 19.000 -0.061 0.000 0.784 542 A HN 0.386 nan 8.150 nan 0.000 0.486 548 S N 1.093 116.797 115.700 0.007 0.000 2.462 548 S HA -0.089 4.386 4.470 0.007 0.000 0.219 548 S C 0.932 175.596 174.600 0.107 0.000 1.048 548 S CA 1.737 59.959 58.200 0.038 0.000 1.119 548 S CB -0.271 62.956 63.200 0.045 0.000 1.100 548 S HN 0.861 nan 8.310 nan 0.000 0.411 549 G N -0.595 108.283 108.800 0.129 0.000 3.008 549 G HA2 0.202 4.166 3.960 0.007 0.000 0.272 549 G HA3 0.202 4.166 3.960 0.007 0.000 0.272 549 G C -0.110 174.866 174.900 0.126 0.000 0.764 549 G CA -0.368 44.800 45.100 0.114 0.000 2.029 549 G HN 0.562 nan 8.290 nan 0.000 0.587 550 W N 0.899 122.059 121.300 -0.232 0.000 2.842 550 W HA 0.428 5.093 4.660 0.008 0.000 0.267 550 W C 0.074 176.043 176.519 -0.915 0.000 1.219 550 W CA -0.336 56.641 57.345 -0.614 0.000 1.458 550 W CB 0.485 29.437 29.460 -0.848 0.000 1.006 550 W HN 0.306 nan 8.180 nan 0.000 0.603 551 F N -0.399 119.661 119.950 0.184 0.000 2.646 551 F HA 0.299 4.830 4.527 0.007 0.000 0.336 551 F C 0.402 176.303 175.800 0.169 0.000 1.437 551 F CA -0.467 57.634 58.000 0.168 0.000 1.142 551 F CB -0.169 38.892 39.000 0.102 0.000 1.530 551 F HN -0.409 nan 8.300 nan 0.000 0.591 552 V N 0.104 120.191 119.914 0.288 0.000 2.721 552 V HA 0.606 4.731 4.120 0.007 0.000 0.236 552 V C 0.989 177.231 176.094 0.248 0.000 1.116 552 V CA 0.850 63.283 62.300 0.221 0.000 1.148 552 V CB 0.453 32.383 31.823 0.178 0.000 0.886 552 V HN 0.442 nan 8.190 nan 0.000 0.490 553 A N -0.861 122.069 122.820 0.183 0.000 2.564 553 A HA 0.806 5.130 4.320 0.007 0.000 0.288 553 A C -0.336 177.002 177.584 -0.410 0.000 1.164 553 A CA 0.049 52.062 52.037 -0.040 0.000 0.712 553 A CB 1.261 20.061 19.000 -0.333 0.000 1.303 553 A HN 0.440 nan 8.150 nan 0.000 0.418 554 G N -1.045 107.162 108.800 -0.988 0.000 2.417 554 G HA2 0.549 4.513 3.960 0.007 0.000 0.320 554 G HA3 0.549 4.513 3.960 0.007 0.000 0.320 554 G C -1.092 173.242 174.900 -0.943 0.000 1.204 554 G CA -0.109 44.171 45.100 -1.367 0.000 0.923 554 G HN 0.522 nan 8.290 nan 0.000 0.466 555 Y N 1.477 121.630 120.300 -0.246 0.000 2.734 555 Y HA 0.302 4.857 4.550 0.007 0.000 0.278 555 Y C 1.343 177.200 175.900 -0.071 0.000 1.108 555 Y CA -0.652 57.384 58.100 -0.107 0.000 1.211 555 Y CB 0.594 39.047 38.460 -0.011 0.000 1.182 555 Y HN 0.366 nan 8.280 nan 0.000 0.547 556 S N 0.775 116.464 115.700 -0.017 0.000 2.525 556 S HA 0.300 4.775 4.470 0.007 0.000 0.285 556 S C 1.321 175.954 174.600 0.054 0.000 1.283 556 S CA 1.117 59.337 58.200 0.034 0.000 1.072 556 S CB 0.313 63.532 63.200 0.032 0.000 0.867 556 S HN 0.951 nan 8.310 nan 0.000 0.492 557 G N 3.018 111.859 108.800 0.068 0.000 2.284 557 G HA2 -0.230 3.735 3.960 0.007 0.000 0.247 557 G HA3 -0.230 3.735 3.960 0.007 0.000 0.247 557 G C 0.570 175.519 174.900 0.081 0.000 1.012 557 G CA 0.093 45.239 45.100 0.077 0.000 0.618 557 G HN 1.099 nan 8.290 nan 0.000 0.521 558 G N -0.290 108.565 108.800 0.093 0.000 2.583 558 G HA2 0.397 4.361 3.960 0.007 0.000 0.275 558 G HA3 0.397 4.361 3.960 0.007 0.000 0.275 558 G C -0.115 174.817 174.900 0.053 0.000 1.342 558 G CA 0.644 45.806 45.100 0.104 0.000 1.030 558 G HN 0.444 nan 8.290 nan 0.000 0.520 559 D N -0.660 119.753 120.400 0.022 0.000 2.943 559 D HA 0.262 4.906 4.640 0.007 0.000 0.347 559 D C -0.180 176.066 176.300 -0.090 0.000 1.305 559 D CA -0.388 53.594 54.000 -0.030 0.000 0.870 559 D CB -0.182 40.608 40.800 -0.016 0.000 1.081 559 D HN 0.005 nan 8.370 nan 0.000 0.492 560 I N 1.919 122.423 120.570 -0.110 0.000 2.404 560 I HA 0.362 4.536 4.170 0.007 0.000 0.293 560 I C -0.781 175.175 176.117 -0.268 0.000 0.992 560 I CA -0.876 60.274 61.300 -0.250 0.000 1.149 560 I CB 1.148 38.959 38.000 -0.315 0.000 1.315 560 I HN 0.140 nan 8.210 nan 0.000 0.446 561 Y N 5.506 125.459 120.300 -0.579 0.000 2.524 561 Y HA 0.519 5.073 4.550 0.007 0.000 0.347 561 Y C -0.968 174.426 175.900 -0.842 0.000 1.005 561 Y CA -0.579 57.188 58.100 -0.556 0.000 1.025 561 Y CB 1.723 39.955 38.460 -0.380 0.000 1.275 561 Y HN 0.460 nan 8.280 nan 0.000 0.460 562 H N 3.117 121.479 119.070 -1.179 0.000 3.108 562 H HA 0.307 4.868 4.556 0.007 0.000 0.329 562 H C -0.585 174.278 175.328 -0.774 0.000 0.978 562 H CA -0.501 55.070 56.048 -0.795 0.000 1.413 562 H CB 1.756 31.045 29.762 -0.789 0.000 1.670 562 H HN 0.743 nan 8.280 nan 0.000 0.512 563 S N 0.000 115.536 115.700 -0.273 0.000 2.498 563 S HA 0.000 4.474 4.470 0.007 0.000 0.327 563 S CA 0.000 58.165 58.200 -0.058 0.000 1.107 563 S CB 0.000 63.279 63.200 0.132 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517