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 2fvc_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGVQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.575 174.600 -0.042 0.000 1.055 1 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 1 S CB 0.000 63.192 63.200 -0.014 0.000 0.593 2 M N 2.177 121.757 119.600 -0.033 0.000 4.043 2 M HA -0.129 4.351 4.480 -0.000 0.000 0.157 2 M C 1.410 177.606 176.300 -0.173 0.000 1.532 2 M CA 0.799 56.060 55.300 -0.065 0.000 1.096 2 M CB -2.368 30.207 32.600 -0.041 0.000 1.346 2 M HN 0.998 nan 8.290 nan 0.000 0.195 3 S N 1.425 116.951 115.700 -0.291 0.000 2.400 3 S HA -0.038 4.432 4.470 -0.000 0.000 0.232 3 S C 0.373 174.544 174.600 -0.715 0.000 1.025 3 S CA 1.237 59.127 58.200 -0.516 0.000 0.993 3 S CB 0.065 62.864 63.200 -0.669 0.000 0.808 3 S HN 0.647 nan 8.310 nan 0.000 0.478 4 Y N 0.491 120.610 120.300 -0.302 0.000 2.597 4 Y HA 0.558 5.108 4.550 -0.001 0.000 0.340 4 Y C -0.307 175.267 175.900 -0.544 0.000 1.097 4 Y CA -0.927 56.853 58.100 -0.533 0.000 1.037 4 Y CB 1.946 39.879 38.460 -0.880 0.000 1.305 4 Y HN 0.108 nan 8.280 nan 0.000 0.463 5 T N -2.209 112.060 114.554 -0.474 0.000 2.921 5 T HA 0.635 4.985 4.350 -0.000 0.000 0.297 5 T C -1.413 173.045 174.700 -0.403 0.000 1.013 5 T CA -0.801 61.120 62.100 -0.299 0.000 0.990 5 T CB 0.748 69.553 68.868 -0.106 0.000 1.023 5 T HN 0.522 nan 8.240 nan 0.000 0.447 6 W N 1.349 122.699 121.300 0.083 0.000 2.639 6 W HA 0.516 5.175 4.660 -0.001 0.000 0.347 6 W C 1.518 178.061 176.519 0.041 0.000 1.067 6 W CA -0.724 56.654 57.345 0.054 0.000 1.218 6 W CB 1.871 31.345 29.460 0.022 0.000 1.393 6 W HN 0.861 nan 8.180 nan 0.000 0.557 7 T N -2.606 112.127 114.554 0.299 0.000 3.051 7 T HA 0.322 4.672 4.350 -0.000 0.000 0.255 7 T C 1.420 176.201 174.700 0.136 0.000 1.085 7 T CA 0.828 63.030 62.100 0.170 0.000 1.109 7 T CB 0.025 68.971 68.868 0.130 0.000 0.921 7 T HN 1.194 nan 8.240 nan 0.000 0.488 8 G N 1.267 110.153 108.800 0.145 0.000 2.253 8 G HA2 0.044 4.003 3.960 -0.000 0.000 0.209 8 G HA3 0.044 4.003 3.960 -0.000 0.000 0.209 8 G C 0.361 175.279 174.900 0.030 0.000 0.997 8 G CA -0.145 44.992 45.100 0.063 0.000 0.640 8 G HN 1.088 nan 8.290 nan 0.000 0.496 9 A N 0.740 123.592 122.820 0.054 0.000 2.445 9 A HA 0.659 4.979 4.320 -0.000 0.000 0.242 9 A C 0.788 178.373 177.584 0.000 0.000 1.075 9 A CA 0.205 52.261 52.037 0.031 0.000 0.777 9 A CB 0.217 19.246 19.000 0.049 0.000 1.013 9 A HN 0.886 nan 8.150 nan 0.000 0.493 10 L N 1.466 122.679 121.223 -0.017 0.000 2.453 10 L HA 0.277 4.617 4.340 -0.000 0.000 0.261 10 L C 0.097 176.945 176.870 -0.036 0.000 1.179 10 L CA -0.193 54.619 54.840 -0.046 0.000 0.813 10 L CB 0.629 42.667 42.059 -0.036 0.000 1.110 10 L HN 0.553 nan 8.230 nan 0.000 0.466 11 I N 1.530 122.063 120.570 -0.062 0.000 2.308 11 I HA 0.108 4.278 4.170 -0.000 0.000 0.293 11 I C 0.428 176.535 176.117 -0.016 0.000 1.078 11 I CA -0.141 61.137 61.300 -0.037 0.000 1.292 11 I CB 0.810 38.770 38.000 -0.067 0.000 1.423 11 I HN 0.654 nan 8.210 nan 0.000 0.493 12 T N 5.063 119.618 114.554 0.001 0.000 2.928 12 T HA 0.570 4.920 4.350 -0.000 0.000 0.284 12 T C -2.411 172.304 174.700 0.024 0.000 1.008 12 T CA -1.927 60.179 62.100 0.009 0.000 1.057 12 T CB 1.771 70.644 68.868 0.008 0.000 1.018 12 T HN 0.266 nan 8.240 nan 0.000 0.493 13 P HA 0.286 nan 4.420 nan 0.000 0.278 13 P C 0.503 177.826 177.300 0.037 0.000 1.258 13 P CA -0.764 62.359 63.100 0.037 0.000 0.811 13 P CB 0.846 32.568 31.700 0.036 0.000 1.063 14 C N -1.241 118.086 119.300 0.045 0.000 3.104 14 C HA 0.839 5.299 4.460 -0.000 0.000 0.284 14 C C 0.576 175.588 174.990 0.036 0.000 1.326 14 C CA -0.171 58.871 59.018 0.041 0.000 1.725 14 C CB -1.080 26.692 27.740 0.053 0.000 2.156 14 C HN 0.727 nan 8.230 nan 0.000 0.638 15 A N 0.174 123.017 122.820 0.038 0.000 2.483 15 A HA 0.781 5.101 4.320 -0.000 0.000 0.294 15 A C -0.604 177.007 177.584 0.044 0.000 1.077 15 A CA -0.002 52.059 52.037 0.039 0.000 0.633 15 A CB -0.386 18.639 19.000 0.043 0.000 1.318 15 A HN 1.491 nan 8.150 nan 0.000 0.455 16 A N 0.083 122.931 122.820 0.047 0.000 2.477 16 A HA 0.539 4.859 4.320 -0.000 0.000 0.246 16 A C 0.014 177.640 177.584 0.070 0.000 1.078 16 A CA 0.459 52.528 52.037 0.054 0.000 0.770 16 A CB -0.283 18.748 19.000 0.051 0.000 1.011 16 A HN 0.595 nan 8.150 nan 0.000 0.494 17 E N 1.342 121.588 120.200 0.076 0.000 2.199 17 E HA 0.403 4.753 4.350 -0.000 0.000 0.269 17 E C -1.022 175.657 176.600 0.132 0.000 0.899 17 E CA -0.479 55.980 56.400 0.098 0.000 0.772 17 E CB 1.964 31.711 29.700 0.078 0.000 1.155 17 E HN 0.758 nan 8.360 nan 0.000 0.408 18 E N 0.748 121.070 120.200 0.204 0.000 2.183 18 E HA 0.194 4.544 4.350 -0.000 0.000 0.271 18 E C 0.036 176.859 176.600 0.372 0.000 0.919 18 E CA -0.206 56.361 56.400 0.279 0.000 0.781 18 E CB 1.671 31.580 29.700 0.348 0.000 1.140 18 E HN 0.564 nan 8.360 nan 0.000 0.402 19 S N 2.454 118.351 115.700 0.329 0.000 2.641 19 S HA 0.140 4.610 4.470 -0.000 0.000 0.239 19 S C 0.574 175.451 174.600 0.462 0.000 1.081 19 S CA -0.172 58.238 58.200 0.350 0.000 0.904 19 S CB 0.231 63.571 63.200 0.233 0.000 0.803 19 S HN 0.212 nan 8.310 nan 0.000 0.510 20 K N 1.460 122.051 120.400 0.319 0.000 2.218 20 K HA 0.349 4.669 4.320 -0.000 0.000 0.276 20 K C -0.751 175.916 176.600 0.113 0.000 1.022 20 K CA -0.648 55.784 56.287 0.240 0.000 0.946 20 K CB 0.828 33.402 32.500 0.124 0.000 1.000 20 K HN 0.224 nan 8.250 nan 0.000 0.468 21 L N 5.106 126.379 121.223 0.083 0.000 2.584 21 L HA 0.056 4.396 4.340 -0.000 0.000 0.272 21 L C -2.359 174.256 176.870 -0.425 0.000 1.195 21 L CA -0.823 53.869 54.840 -0.245 0.000 0.920 21 L CB -0.090 41.966 42.059 -0.006 0.000 1.173 21 L HN 0.410 nan 8.230 nan 0.000 0.489 22 P HA 0.238 nan 4.420 nan 0.000 0.271 22 P C -0.986 176.078 177.300 -0.394 0.000 1.216 22 P CA -0.049 62.748 63.100 -0.505 0.000 0.776 22 P CB 0.656 31.988 31.700 -0.613 0.000 0.881 23 I N 3.188 123.586 120.570 -0.286 0.000 2.509 23 I HA 0.403 4.573 4.170 -0.000 0.000 0.293 23 I C 0.328 176.337 176.117 -0.181 0.000 1.020 23 I CA -0.654 60.483 61.300 -0.272 0.000 1.088 23 I CB 1.578 39.413 38.000 -0.276 0.000 1.267 23 I HN 0.484 nan 8.210 nan 0.000 0.430 24 N N 3.951 122.560 118.700 -0.151 0.000 3.229 24 N HA 0.439 5.179 4.740 -0.000 0.000 0.315 24 N C 0.362 175.832 175.510 -0.068 0.000 1.520 24 N CA -0.421 52.569 53.050 -0.100 0.000 0.769 24 N CB 0.649 39.078 38.487 -0.097 0.000 1.766 24 N HN 0.388 nan 8.380 nan 0.000 0.618 25 A N -0.528 122.263 122.820 -0.048 0.000 2.125 25 A HA 0.088 4.408 4.320 -0.000 0.000 0.219 25 A C 1.728 179.301 177.584 -0.018 0.000 1.156 25 A CA 0.965 52.985 52.037 -0.029 0.000 0.671 25 A CB -0.920 18.064 19.000 -0.027 0.000 0.794 25 A HN 0.543 nan 8.150 nan 0.000 0.459 26 L N -1.421 119.789 121.223 -0.020 0.000 2.513 26 L HA 0.013 4.353 4.340 -0.000 0.000 0.222 26 L C 2.498 179.399 176.870 0.052 0.000 1.096 26 L CA 0.503 55.349 54.840 0.010 0.000 0.857 26 L CB -0.275 41.776 42.059 -0.013 0.000 1.026 26 L HN 0.224 nan 8.230 nan 0.000 0.469 27 S N 0.888 116.589 115.700 0.003 0.000 2.369 27 S HA -0.211 4.258 4.470 -0.000 0.000 0.225 27 S C 1.714 176.363 174.600 0.081 0.000 1.043 27 S CA 1.866 60.061 58.200 -0.008 0.000 1.074 27 S CB -0.380 62.718 63.200 -0.169 0.000 0.962 27 S HN 0.474 nan 8.310 nan 0.000 0.433 28 N N 1.443 120.211 118.700 0.113 0.000 2.272 28 N HA -0.077 4.663 4.740 -0.000 0.000 0.185 28 N C 1.875 177.427 175.510 0.071 0.000 1.014 28 N CA 1.313 54.450 53.050 0.144 0.000 0.870 28 N CB -0.576 37.978 38.487 0.112 0.000 0.975 28 N HN 0.619 nan 8.380 nan 0.000 0.433 29 S N -0.348 115.387 115.700 0.057 0.000 2.474 29 S HA -0.048 4.421 4.470 -0.000 0.000 0.235 29 S C 1.762 176.395 174.600 0.055 0.000 0.997 29 S CA 0.449 58.662 58.200 0.022 0.000 0.949 29 S CB -0.093 63.132 63.200 0.042 0.000 0.766 29 S HN 0.255 nan 8.310 nan 0.000 0.517 30 L N -0.257 121.016 121.223 0.084 0.000 2.433 30 L HA 0.610 4.950 4.340 -0.000 0.000 0.200 30 L C 0.049 176.982 176.870 0.104 0.000 1.059 30 L CA 0.648 55.537 54.840 0.081 0.000 0.835 30 L CB 0.337 42.201 42.059 -0.325 0.000 1.076 30 L HN 0.485 nan 8.230 nan 0.000 0.481 31 L N -0.855 120.419 121.223 0.085 0.000 2.493 31 L HA 0.405 4.745 4.340 -0.000 0.000 0.265 31 L C 0.220 177.162 176.870 0.120 0.000 0.954 31 L CA -0.431 54.456 54.840 0.079 0.000 0.844 31 L CB 1.713 43.832 42.059 0.100 0.000 1.302 31 L HN 0.008 nan 8.230 nan 0.000 0.405 32 R N 1.160 121.622 120.500 -0.063 0.000 2.225 32 R HA 0.188 4.528 4.340 -0.000 0.000 0.194 32 R C 0.044 176.157 176.300 -0.311 0.000 0.957 32 R CA 0.153 56.133 56.100 -0.200 0.000 1.042 32 R CB 0.202 30.418 30.300 -0.140 0.000 1.004 32 R HN 0.638 nan 8.270 nan 0.000 0.509 33 H N 0.681 119.667 119.070 -0.140 0.000 2.970 33 H HA 0.079 4.635 4.556 -0.000 0.000 0.226 33 H C 0.414 175.756 175.328 0.023 0.000 1.909 33 H CA -0.336 55.656 56.048 -0.093 0.000 1.388 33 H CB -0.065 29.692 29.762 -0.009 0.000 1.773 33 H HN 0.363 nan 8.280 nan 0.000 0.559 34 H N 0.934 120.099 119.070 0.158 0.000 2.426 34 H HA -0.185 4.371 4.556 -0.000 0.000 0.298 34 H C 2.122 177.528 175.328 0.130 0.000 1.107 34 H CA 1.009 57.126 56.048 0.115 0.000 1.298 34 H CB 0.279 30.083 29.762 0.069 0.000 1.377 34 H HN 0.644 nan 8.280 nan 0.000 0.519 35 N N 1.391 120.218 118.700 0.212 0.000 2.520 35 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 35 N C 1.310 176.925 175.510 0.176 0.000 1.068 35 N CA 0.950 54.096 53.050 0.161 0.000 0.911 35 N CB -0.155 38.384 38.487 0.087 0.000 0.961 35 N HN 0.459 nan 8.380 nan 0.000 0.446 36 M N 0.264 119.985 119.600 0.203 0.000 2.556 36 M HA 0.152 4.632 4.480 -0.000 0.000 0.245 36 M C -0.072 176.406 176.300 0.295 0.000 1.128 36 M CA 0.134 55.564 55.300 0.217 0.000 1.069 36 M CB 0.712 33.430 32.600 0.197 0.000 1.469 36 M HN -0.138 nan 8.290 nan 0.000 0.494 37 V N 0.897 120.996 119.914 0.309 0.000 2.483 37 V HA 0.417 4.537 4.120 -0.000 0.000 0.295 37 V C -0.815 175.544 176.094 0.443 0.000 1.035 37 V CA -0.757 61.740 62.300 0.328 0.000 0.896 37 V CB 1.026 33.018 31.823 0.281 0.000 0.986 37 V HN 0.326 nan 8.190 nan 0.000 0.447 38 Y N 2.263 122.725 120.300 0.271 0.000 2.625 38 Y HA 0.920 5.469 4.550 -0.001 0.000 0.338 38 Y C -0.555 175.423 175.900 0.130 0.000 1.123 38 Y CA -1.475 56.792 58.100 0.279 0.000 1.046 38 Y CB 1.482 40.062 38.460 0.201 0.000 1.299 38 Y HN 0.723 nan 8.280 nan 0.000 0.464 39 A N 1.281 124.146 122.820 0.075 0.000 2.365 39 A HA 0.702 5.022 4.320 -0.000 0.000 0.318 39 A C -0.210 177.423 177.584 0.083 0.000 1.091 39 A CA -0.392 51.467 52.037 -0.297 0.000 0.763 39 A CB 0.654 19.202 19.000 -0.753 0.000 1.248 39 A HN 1.130 nan 8.150 nan 0.000 0.442 40 T N -0.062 114.532 114.554 0.067 0.000 2.899 40 T HA 0.598 4.948 4.350 -0.000 0.000 0.295 40 T C 0.379 175.134 174.700 0.090 0.000 1.033 40 T CA 0.383 62.596 62.100 0.189 0.000 1.084 40 T CB 0.895 69.897 68.868 0.223 0.000 0.979 40 T HN 1.536 nan 8.240 nan 0.000 0.532 41 T N -2.096 112.518 114.554 0.099 0.000 2.812 41 T HA 0.474 4.824 4.350 -0.000 0.000 0.294 41 T C 1.378 176.109 174.700 0.051 0.000 1.159 41 T CA -0.207 61.934 62.100 0.067 0.000 1.008 41 T CB 1.200 70.115 68.868 0.077 0.000 1.289 41 T HN 0.764 nan 8.240 nan 0.000 0.514 42 S N 0.092 115.815 115.700 0.038 0.000 2.469 42 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 42 S C 1.812 176.416 174.600 0.006 0.000 0.998 42 S CA 0.330 58.541 58.200 0.019 0.000 0.957 42 S CB -0.685 62.525 63.200 0.017 0.000 0.764 42 S HN 0.688 nan 8.310 nan 0.000 0.514 43 R N 1.576 122.087 120.500 0.018 0.000 2.127 43 R HA -0.053 4.287 4.340 -0.000 0.000 0.238 43 R C 2.198 178.495 176.300 -0.005 0.000 1.134 43 R CA 1.589 57.694 56.100 0.008 0.000 0.975 43 R CB -0.605 29.708 30.300 0.022 0.000 0.865 43 R HN 0.750 nan 8.270 nan 0.000 0.447 44 S N -0.781 114.921 115.700 0.005 0.000 2.577 44 S HA 0.233 4.703 4.470 -0.000 0.000 0.219 44 S C 1.771 176.353 174.600 -0.031 0.000 0.962 44 S CA 0.220 58.416 58.200 -0.007 0.000 0.921 44 S CB 0.802 64.013 63.200 0.019 0.000 0.789 44 S HN 0.258 nan 8.310 nan 0.000 0.497 45 A N 2.195 124.989 122.820 -0.044 0.000 1.940 45 A HA 0.124 4.444 4.320 -0.000 0.000 0.219 45 A C 2.288 179.779 177.584 -0.156 0.000 1.176 45 A CA 1.640 53.626 52.037 -0.085 0.000 0.631 45 A CB -1.712 17.236 19.000 -0.086 0.000 0.814 45 A HN 0.659 nan 8.150 nan 0.000 0.446 46 G N -0.458 108.251 108.800 -0.152 0.000 2.442 46 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 46 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 46 G C 1.567 176.365 174.900 -0.171 0.000 1.141 46 G CA 1.002 45.984 45.100 -0.197 0.000 0.763 46 G HN 0.445 nan 8.290 nan 0.000 0.554 47 L N -0.280 120.881 121.223 -0.103 0.000 2.056 47 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 47 L C 2.988 179.822 176.870 -0.061 0.000 1.078 47 L CA 1.404 56.203 54.840 -0.068 0.000 0.749 47 L CB -0.191 41.845 42.059 -0.039 0.000 0.901 47 L HN 0.216 nan 8.230 nan 0.000 0.433 48 R N 0.192 120.652 120.500 -0.067 0.000 2.081 48 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 48 R C 2.193 178.448 176.300 -0.075 0.000 1.131 48 R CA 1.651 57.728 56.100 -0.039 0.000 0.960 48 R CB -0.409 29.875 30.300 -0.027 0.000 0.856 48 R HN 0.431 nan 8.270 nan 0.000 0.436 49 Q N -0.192 119.473 119.800 -0.224 0.000 2.112 49 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 49 Q C 1.832 177.758 176.000 -0.123 0.000 0.987 49 Q CA 1.892 57.459 55.803 -0.394 0.000 0.858 49 Q CB -0.095 28.067 28.738 -0.959 0.000 0.905 49 Q HN 0.107 nan 8.270 nan 0.000 0.420 50 K N 0.986 121.332 120.400 -0.090 0.000 2.026 50 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 50 K C 1.839 178.516 176.600 0.128 0.000 1.048 50 K CA 1.338 57.644 56.287 0.032 0.000 0.929 50 K CB -0.072 32.430 32.500 0.003 0.000 0.713 50 K HN 0.097 nan 8.250 nan 0.000 0.439 51 K N 0.275 120.740 120.400 0.110 0.000 2.057 51 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 51 K C 1.744 178.529 176.600 0.307 0.000 1.049 51 K CA 1.562 57.954 56.287 0.175 0.000 0.931 51 K CB -0.180 32.393 32.500 0.121 0.000 0.714 51 K HN 0.162 nan 8.250 nan 0.000 0.440 52 V N -1.172 118.899 119.914 0.261 0.000 3.573 52 V HA 0.030 4.150 4.120 -0.000 0.000 0.270 52 V C 0.372 176.595 176.094 0.215 0.000 1.221 52 V CA 0.364 62.843 62.300 0.298 0.000 1.163 52 V CB -0.301 31.685 31.823 0.272 0.000 0.847 52 V HN -0.024 nan 8.190 nan 0.000 0.468 53 T N 4.477 119.211 114.554 0.299 0.000 2.781 53 T HA 0.700 5.050 4.350 -0.000 0.000 0.305 53 T C -0.741 174.113 174.700 0.257 0.000 1.001 53 T CA -0.039 62.222 62.100 0.268 0.000 0.950 53 T CB 0.078 69.218 68.868 0.453 0.000 0.955 53 T HN 0.632 nan 8.240 nan 0.000 0.471 54 F N -0.162 119.887 119.950 0.165 0.000 2.713 54 F HA 0.670 5.198 4.527 0.001 0.000 0.311 54 F C -1.055 174.778 175.800 0.055 0.000 1.141 54 F CA -1.810 56.248 58.000 0.097 0.000 0.939 54 F CB 0.663 39.712 39.000 0.082 0.000 1.325 54 F HN 0.188 nan 8.300 nan 0.000 0.453 55 D N 0.729 121.328 120.400 0.333 0.000 2.302 55 D HA 0.505 5.144 4.640 -0.000 0.000 0.248 55 D C -0.897 175.556 176.300 0.253 0.000 1.094 55 D CA 0.079 54.194 54.000 0.192 0.000 0.897 55 D CB 0.844 41.716 40.800 0.121 0.000 1.200 55 D HN 0.580 nan 8.370 nan 0.000 0.429 56 R N 2.229 122.814 120.500 0.141 0.000 2.494 56 R HA 0.673 5.013 4.340 -0.000 0.000 0.305 56 R C -1.063 175.268 176.300 0.053 0.000 0.959 56 R CA -0.670 55.505 56.100 0.125 0.000 0.864 56 R CB 1.209 31.562 30.300 0.088 0.000 1.159 56 R HN 0.303 nan 8.270 nan 0.000 0.446 57 L N 1.629 122.875 121.223 0.038 0.000 2.401 57 L HA 0.530 4.870 4.340 -0.000 0.000 0.266 57 L C -0.557 176.311 176.870 -0.004 0.000 0.991 57 L CA -0.436 54.410 54.840 0.009 0.000 0.818 57 L CB 2.184 44.245 42.059 0.003 0.000 1.321 57 L HN 0.476 nan 8.230 nan 0.000 0.413 58 Q N 1.451 121.239 119.800 -0.021 0.000 2.347 58 Q HA 0.744 5.084 4.340 -0.000 0.000 0.271 58 Q C -1.592 174.381 176.000 -0.046 0.000 1.064 58 Q CA -0.762 55.021 55.803 -0.032 0.000 0.800 58 Q CB 3.413 32.116 28.738 -0.059 0.000 1.304 58 Q HN 0.357 nan 8.270 nan 0.000 0.438 59 V N 4.094 123.986 119.914 -0.038 0.000 2.380 59 V HA 0.376 4.495 4.120 -0.000 0.000 0.286 59 V C -0.740 175.348 176.094 -0.011 0.000 1.015 59 V CA -0.510 61.766 62.300 -0.041 0.000 0.834 59 V CB 1.225 33.017 31.823 -0.051 0.000 1.009 59 V HN 0.605 nan 8.190 nan 0.000 0.428 60 L N 5.714 126.893 121.223 -0.073 0.000 2.265 60 L HA 0.572 4.912 4.340 -0.000 0.000 0.289 60 L C 0.040 176.918 176.870 0.013 0.000 1.033 60 L CA -0.572 54.189 54.840 -0.131 0.000 0.814 60 L CB 1.296 43.097 42.059 -0.429 0.000 1.203 60 L HN 0.662 nan 8.230 nan 0.000 0.423 61 D N 0.776 121.267 120.400 0.152 0.000 2.539 61 D HA 0.106 4.746 4.640 -0.000 0.000 0.276 61 D C 0.353 176.729 176.300 0.126 0.000 1.206 61 D CA -0.620 53.451 54.000 0.117 0.000 1.081 61 D CB 0.856 41.728 40.800 0.119 0.000 1.142 61 D HN 0.290 nan 8.370 nan 0.000 0.595 62 D N -1.202 119.211 120.400 0.021 0.000 2.178 62 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 62 D C 1.773 178.087 176.300 0.023 0.000 0.980 62 D CA 1.055 55.046 54.000 -0.015 0.000 0.842 62 D CB -0.150 40.586 40.800 -0.106 0.000 0.948 62 D HN 0.424 nan 8.370 nan 0.000 0.472 63 H N -0.316 118.828 119.070 0.124 0.000 2.353 63 H HA -0.152 4.404 4.556 -0.000 0.000 0.300 63 H C 2.002 177.383 175.328 0.088 0.000 1.090 63 H CA 0.906 57.018 56.048 0.107 0.000 1.327 63 H CB -0.596 29.251 29.762 0.142 0.000 1.383 63 H HN 0.324 nan 8.280 nan 0.000 0.508 64 Y N 1.891 122.250 120.300 0.098 0.000 2.114 64 Y HA -0.208 4.342 4.550 -0.001 0.000 0.284 64 Y C 2.660 178.522 175.900 -0.063 0.000 1.143 64 Y CA 1.587 59.622 58.100 -0.108 0.000 1.135 64 Y CB -0.084 38.230 38.460 -0.244 0.000 0.980 64 Y HN -0.060 nan 8.280 nan 0.000 0.499 65 R N 0.077 120.669 120.500 0.153 0.000 2.115 65 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 65 R C 1.732 178.018 176.300 -0.023 0.000 1.111 65 R CA 1.356 57.484 56.100 0.046 0.000 0.976 65 R CB -0.269 30.090 30.300 0.099 0.000 0.870 65 R HN 0.432 nan 8.270 nan 0.000 0.445 66 D N 0.093 120.499 120.400 0.011 0.000 2.117 66 D HA -0.115 4.524 4.640 -0.000 0.000 0.198 66 D C 1.956 178.246 176.300 -0.017 0.000 0.982 66 D CA 1.050 55.057 54.000 0.012 0.000 0.828 66 D CB -0.153 40.682 40.800 0.059 0.000 0.967 66 D HN -0.004 nan 8.370 nan 0.000 0.464 67 V N 1.199 121.084 119.914 -0.047 0.000 2.358 67 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 67 V C 2.452 178.483 176.094 -0.105 0.000 1.047 67 V CA 0.957 63.213 62.300 -0.073 0.000 1.035 67 V CB -0.407 31.340 31.823 -0.126 0.000 0.658 67 V HN 0.127 nan 8.190 nan 0.000 0.452 68 L N 0.565 121.663 121.223 -0.208 0.000 2.046 68 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 68 L C 2.397 179.205 176.870 -0.103 0.000 1.077 68 L CA 2.194 56.909 54.840 -0.208 0.000 0.747 68 L CB -0.830 41.041 42.059 -0.313 0.000 0.896 68 L HN 0.264 nan 8.230 nan 0.000 0.432 69 K N -0.563 119.795 120.400 -0.071 0.000 2.097 69 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 69 K C 1.957 178.542 176.600 -0.025 0.000 1.049 69 K CA 1.805 58.070 56.287 -0.038 0.000 0.933 69 K CB -0.084 32.403 32.500 -0.020 0.000 0.717 69 K HN 0.505 nan 8.250 nan 0.000 0.442 70 E N 0.146 120.336 120.200 -0.017 0.000 2.051 70 E HA -0.184 4.165 4.350 -0.000 0.000 0.192 70 E C 2.078 178.677 176.600 -0.002 0.000 0.991 70 E CA 1.631 58.032 56.400 0.001 0.000 0.799 70 E CB -0.054 29.659 29.700 0.022 0.000 0.748 70 E HN 0.338 nan 8.360 nan 0.000 0.449 71 M N 0.524 120.120 119.600 -0.005 0.000 2.117 71 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 71 M C 2.146 178.420 176.300 -0.043 0.000 1.065 71 M CA 1.462 56.750 55.300 -0.021 0.000 1.114 71 M CB -0.143 32.445 32.600 -0.020 0.000 1.361 71 M HN -0.065 nan 8.290 nan 0.000 0.408 72 K N 0.287 120.660 120.400 -0.044 0.000 2.097 72 K HA -0.085 4.234 4.320 -0.000 0.000 0.206 72 K C 2.115 178.699 176.600 -0.028 0.000 1.049 72 K CA 1.367 57.630 56.287 -0.040 0.000 0.933 72 K CB -0.247 32.230 32.500 -0.039 0.000 0.717 72 K HN 0.309 nan 8.250 nan 0.000 0.442 73 A N 1.816 124.622 122.820 -0.022 0.000 1.902 73 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 73 A C 1.851 179.424 177.584 -0.019 0.000 1.181 73 A CA 1.521 53.548 52.037 -0.016 0.000 0.623 73 A CB -0.231 18.763 19.000 -0.009 0.000 0.818 73 A HN 0.192 nan 8.150 nan 0.000 0.443 74 K N -0.404 119.980 120.400 -0.026 0.000 2.103 74 K HA 0.052 4.372 4.320 -0.000 0.000 0.204 74 K C 2.249 178.823 176.600 -0.042 0.000 1.052 74 K CA 0.930 57.196 56.287 -0.036 0.000 0.945 74 K CB -0.283 32.187 32.500 -0.050 0.000 0.722 74 K HN 0.411 nan 8.250 nan 0.000 0.443 75 A N 1.167 123.961 122.820 -0.044 0.000 2.019 75 A HA -0.127 4.192 4.320 -0.000 0.000 0.219 75 A C 2.042 179.614 177.584 -0.019 0.000 1.164 75 A CA 1.571 53.587 52.037 -0.036 0.000 0.644 75 A CB -0.421 18.561 19.000 -0.030 0.000 0.805 75 A HN 0.151 nan 8.150 nan 0.000 0.449 76 S N -0.335 115.355 115.700 -0.016 0.000 2.507 76 S HA -0.095 4.375 4.470 -0.000 0.000 0.235 76 S C 1.897 176.492 174.600 -0.009 0.000 0.988 76 S CA 1.539 59.734 58.200 -0.008 0.000 0.944 76 S CB -0.445 62.751 63.200 -0.007 0.000 0.762 76 S HN 0.909 nan 8.310 nan 0.000 0.526 77 T N -0.975 113.569 114.554 -0.016 0.000 3.100 77 T HA 0.208 4.558 4.350 -0.000 0.000 0.253 77 T C 0.502 175.191 174.700 -0.018 0.000 1.118 77 T CA -0.128 61.963 62.100 -0.016 0.000 1.058 77 T CB -0.243 68.613 68.868 -0.019 0.000 0.953 77 T HN 0.018 nan 8.240 nan 0.000 0.515 78 V N 1.873 121.775 119.914 -0.020 0.000 2.583 78 V HA 0.415 4.535 4.120 -0.000 0.000 0.287 78 V C 0.074 176.162 176.094 -0.010 0.000 1.051 78 V CA -0.771 61.516 62.300 -0.022 0.000 1.010 78 V CB 1.260 33.065 31.823 -0.031 0.000 0.988 78 V HN 0.391 nan 8.190 nan 0.000 0.478 79 K N 3.355 123.748 120.400 -0.010 0.000 2.413 79 K HA 0.760 5.080 4.320 -0.000 0.000 0.257 79 K C -0.765 175.834 176.600 -0.003 0.000 0.946 79 K CA -0.407 55.879 56.287 -0.001 0.000 0.823 79 K CB 1.591 34.091 32.500 -0.000 0.000 1.109 79 K HN 0.845 nan 8.250 nan 0.000 0.427 80 A N 3.873 126.696 122.820 0.005 0.000 2.374 80 A HA 0.562 4.882 4.320 -0.000 0.000 0.317 80 A C -1.243 176.353 177.584 0.020 0.000 1.094 80 A CA -0.923 51.117 52.037 0.006 0.000 0.765 80 A CB 0.985 19.984 19.000 -0.001 0.000 1.268 80 A HN 0.833 nan 8.150 nan 0.000 0.438 81 K N 1.041 121.455 120.400 0.023 0.000 2.166 81 K HA 0.742 5.062 4.320 -0.000 0.000 0.245 81 K C -1.114 175.508 176.600 0.036 0.000 0.967 81 K CA -0.762 55.542 56.287 0.027 0.000 0.863 81 K CB 1.363 33.875 32.500 0.020 0.000 1.107 81 K HN 0.369 nan 8.250 nan 0.000 0.436 82 L N 2.401 123.641 121.223 0.028 0.000 2.349 82 L HA 0.271 4.611 4.340 -0.000 0.000 0.275 82 L C -0.893 175.954 176.870 -0.038 0.000 1.115 82 L CA -0.556 54.291 54.840 0.011 0.000 0.820 82 L CB 0.809 42.876 42.059 0.013 0.000 1.135 82 L HN 0.639 nan 8.230 nan 0.000 0.445 83 L N 3.276 124.458 121.223 -0.068 0.000 2.357 83 L HA 0.447 4.787 4.340 -0.000 0.000 0.273 83 L C 0.431 177.186 176.870 -0.191 0.000 1.080 83 L CA 0.307 55.090 54.840 -0.095 0.000 0.803 83 L CB 1.488 43.502 42.059 -0.075 0.000 1.174 83 L HN 0.856 nan 8.230 nan 0.000 0.443 84 S N 1.698 117.300 115.700 -0.164 0.000 2.600 84 S HA 0.204 4.674 4.470 -0.000 0.000 0.265 84 S C 1.261 175.716 174.600 -0.240 0.000 1.325 84 S CA -0.629 57.454 58.200 -0.196 0.000 1.002 84 S CB 0.884 64.008 63.200 -0.127 0.000 0.921 84 S HN 0.355 nan 8.310 nan 0.000 0.554 85 V N 1.597 121.341 119.914 -0.283 0.000 2.332 85 V HA -0.152 3.967 4.120 -0.000 0.000 0.248 85 V C 2.625 178.597 176.094 -0.205 0.000 1.055 85 V CA 2.345 64.457 62.300 -0.313 0.000 1.038 85 V CB -1.370 30.192 31.823 -0.435 0.000 0.651 85 V HN 0.859 nan 8.190 nan 0.000 0.450 86 E N 0.264 120.374 120.200 -0.151 0.000 2.077 86 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 86 E C 2.210 178.741 176.600 -0.116 0.000 0.989 86 E CA 1.480 57.812 56.400 -0.113 0.000 0.800 86 E CB -0.289 29.362 29.700 -0.082 0.000 0.746 86 E HN 0.687 nan 8.360 nan 0.000 0.452 87 E N 0.203 120.329 120.200 -0.124 0.000 2.077 87 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 87 E C 2.050 178.549 176.600 -0.169 0.000 0.989 87 E CA 0.998 57.320 56.400 -0.129 0.000 0.800 87 E CB -0.183 29.447 29.700 -0.116 0.000 0.746 87 E HN 0.279 nan 8.360 nan 0.000 0.452 88 A N 0.800 123.514 122.820 -0.178 0.000 1.930 88 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 88 A C 2.399 179.888 177.584 -0.158 0.000 1.175 88 A CA 1.031 52.955 52.037 -0.189 0.000 0.627 88 A CB -0.804 18.098 19.000 -0.164 0.000 0.815 88 A HN 0.355 nan 8.150 nan 0.000 0.443 89 C N -0.180 119.039 119.300 -0.135 0.000 2.413 89 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 89 C C 2.469 177.398 174.990 -0.101 0.000 1.265 89 C CA 1.172 60.126 59.018 -0.106 0.000 1.752 89 C CB -0.733 26.945 27.740 -0.102 0.000 1.998 89 C HN 0.466 nan 8.230 nan 0.000 0.489 90 K N 0.761 121.098 120.400 -0.105 0.000 2.504 90 K HA 0.120 4.440 4.320 -0.000 0.000 0.195 90 K C 1.319 177.879 176.600 -0.066 0.000 1.036 90 K CA 0.714 56.955 56.287 -0.077 0.000 0.984 90 K CB -0.280 32.179 32.500 -0.069 0.000 0.788 90 K HN 0.551 nan 8.250 nan 0.000 0.488 91 L N 0.768 121.911 121.223 -0.133 0.000 2.592 91 L HA 0.053 4.392 4.340 -0.000 0.000 0.227 91 L C 0.263 177.068 176.870 -0.108 0.000 1.127 91 L CA 0.064 54.805 54.840 -0.165 0.000 0.884 91 L CB 0.078 41.910 42.059 -0.377 0.000 1.065 91 L HN -0.134 nan 8.230 nan 0.000 0.457 92 T N 1.609 116.108 114.554 -0.092 0.000 2.780 92 T HA 0.238 4.587 4.350 -0.000 0.000 0.294 92 T C -2.342 172.262 174.700 -0.159 0.000 0.949 92 T CA -1.164 60.877 62.100 -0.098 0.000 1.074 92 T CB 1.170 69.988 68.868 -0.083 0.000 0.910 92 T HN -0.162 nan 8.240 nan 0.000 0.501 93 P HA 0.137 nan 4.420 nan 0.000 0.268 93 P C -1.875 175.230 177.300 -0.325 0.000 1.204 93 P CA -1.287 61.651 63.100 -0.269 0.000 0.768 93 P CB 0.286 31.932 31.700 -0.090 0.000 0.842 94 P HA -0.184 nan 4.420 nan 0.000 0.217 94 P C 0.249 177.326 177.300 -0.371 0.000 1.151 94 P CA 1.732 64.609 63.100 -0.373 0.000 0.849 94 P CB -0.140 31.369 31.700 -0.317 0.000 0.787 95 H N -2.395 116.574 119.070 -0.169 0.000 2.488 95 H HA 0.303 4.859 4.556 -0.000 0.000 0.294 95 H C 0.423 175.688 175.328 -0.105 0.000 1.088 95 H CA -0.346 55.637 56.048 -0.110 0.000 1.086 95 H CB -0.370 29.341 29.762 -0.085 0.000 1.569 95 H HN -0.028 nan 8.280 nan 0.000 0.548 96 S N 0.969 116.633 115.700 -0.060 0.000 2.573 96 S HA 0.389 4.859 4.470 -0.000 0.000 0.277 96 S C 0.763 175.322 174.600 -0.068 0.000 1.346 96 S CA -0.466 57.687 58.200 -0.078 0.000 1.034 96 S CB 0.274 63.425 63.200 -0.081 0.000 0.879 96 S HN 0.545 nan 8.310 nan 0.000 0.528 97 A N 4.118 126.881 122.820 -0.095 0.000 2.546 97 A HA 0.237 4.557 4.320 -0.000 0.000 0.243 97 A C 0.542 178.120 177.584 -0.010 0.000 1.063 97 A CA -0.077 51.934 52.037 -0.043 0.000 0.757 97 A CB -0.315 18.662 19.000 -0.038 0.000 0.991 97 A HN 0.873 nan 8.150 nan 0.000 0.503 98 K N 2.371 122.756 120.400 -0.024 0.000 2.319 98 K HA 0.321 4.640 4.320 -0.000 0.000 0.265 98 K C 0.390 176.916 176.600 -0.122 0.000 1.000 98 K CA 0.131 56.373 56.287 -0.076 0.000 0.943 98 K CB 0.458 32.910 32.500 -0.081 0.000 0.950 98 K HN 0.466 nan 8.250 nan 0.000 0.485 99 S N 0.513 116.032 115.700 -0.301 0.000 2.593 99 S HA 0.068 4.538 4.470 -0.000 0.000 0.269 99 S C 0.469 174.856 174.600 -0.356 0.000 1.334 99 S CA -0.551 57.421 58.200 -0.380 0.000 1.015 99 S CB 0.615 63.251 63.200 -0.939 0.000 0.912 99 S HN 0.701 nan 8.310 nan 0.000 0.541 100 K N 1.726 121.890 120.400 -0.394 0.000 2.426 100 K HA 0.104 4.424 4.320 -0.000 0.000 0.193 100 K C -0.153 175.996 176.600 -0.752 0.000 1.028 100 K CA 0.574 56.527 56.287 -0.556 0.000 1.047 100 K CB -0.008 32.086 32.500 -0.677 0.000 0.821 100 K HN 0.578 nan 8.250 nan 0.000 0.513 101 F N 0.606 120.362 119.950 -0.324 0.000 2.730 101 F HA 0.252 4.779 4.527 -0.000 0.000 0.295 101 F C 0.995 176.670 175.800 -0.208 0.000 1.143 101 F CA -0.433 57.377 58.000 -0.317 0.000 1.367 101 F CB 0.717 39.355 39.000 -0.603 0.000 0.970 101 F HN 0.075 nan 8.300 nan 0.000 0.514 102 G N 0.637 109.376 108.800 -0.102 0.000 2.164 102 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.212 102 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.212 102 G C -0.495 174.495 174.900 0.150 0.000 1.031 102 G CA -0.010 45.105 45.100 0.024 0.000 0.730 102 G HN 0.590 nan 8.290 nan 0.000 0.501 103 Y N -3.256 117.038 120.300 -0.009 0.000 2.702 103 Y HA 0.697 5.247 4.550 -0.000 0.000 0.336 103 Y C 0.266 176.164 175.900 -0.004 0.000 1.203 103 Y CA -0.963 57.135 58.100 -0.003 0.000 1.072 103 Y CB 0.291 38.758 38.460 0.012 0.000 1.327 103 Y HN 0.838 nan 8.280 nan 0.000 0.456 104 G N -0.092 108.805 108.800 0.161 0.000 3.108 104 G HA2 0.572 4.532 3.960 -0.000 0.000 0.268 104 G HA3 0.572 4.532 3.960 -0.000 0.000 0.268 104 G C 0.261 175.225 174.900 0.107 0.000 1.361 104 G CA -0.760 44.371 45.100 0.051 0.000 1.047 104 G HN 1.279 nan 8.290 nan 0.000 0.540 105 A N -0.408 122.414 122.820 0.003 0.000 1.933 105 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 105 A C 2.162 179.707 177.584 -0.066 0.000 1.175 105 A CA 1.944 53.963 52.037 -0.031 0.000 0.628 105 A CB -0.403 18.535 19.000 -0.104 0.000 0.814 105 A HN 0.588 nan 8.150 nan 0.000 0.444 106 K N -0.298 120.044 120.400 -0.098 0.000 2.097 106 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 106 K C 1.342 177.910 176.600 -0.053 0.000 1.050 106 K CA 1.289 57.512 56.287 -0.107 0.000 0.938 106 K CB -0.190 32.234 32.500 -0.127 0.000 0.718 106 K HN 0.427 nan 8.250 nan 0.000 0.442 107 D N 0.585 120.983 120.400 -0.004 0.000 2.144 107 D HA -0.121 4.518 4.640 -0.000 0.000 0.199 107 D C 1.987 178.273 176.300 -0.025 0.000 0.984 107 D CA 0.935 54.939 54.000 0.007 0.000 0.834 107 D CB -0.139 40.707 40.800 0.076 0.000 0.955 107 D HN -0.054 nan 8.370 nan 0.000 0.465 108 V N 1.285 121.203 119.914 0.006 0.000 2.307 108 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 108 V C 2.504 178.562 176.094 -0.060 0.000 1.045 108 V CA 1.483 63.766 62.300 -0.028 0.000 1.024 108 V CB -0.336 31.510 31.823 0.038 0.000 0.651 108 V HN 0.122 nan 8.190 nan 0.000 0.449 109 R N 0.460 120.918 120.500 -0.069 0.000 2.096 109 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 109 R C 1.747 178.005 176.300 -0.069 0.000 1.127 109 R CA 1.421 57.470 56.100 -0.084 0.000 0.968 109 R CB -0.366 29.863 30.300 -0.117 0.000 0.861 109 R HN 0.518 nan 8.270 nan 0.000 0.440 110 N N 0.880 119.542 118.700 -0.062 0.000 2.398 110 N HA 0.052 4.792 4.740 -0.000 0.000 0.188 110 N C 0.202 175.681 175.510 -0.052 0.000 1.122 110 N CA 0.303 53.322 53.050 -0.052 0.000 0.866 110 N CB 0.249 38.709 38.487 -0.045 0.000 0.970 110 N HN 0.155 nan 8.380 nan 0.000 0.462 111 L N 0.672 121.857 121.223 -0.063 0.000 3.717 111 L HA -0.220 4.120 4.340 -0.000 0.000 0.414 111 L C 0.176 177.007 176.870 -0.064 0.000 1.228 111 L CA -0.026 54.774 54.840 -0.068 0.000 0.918 111 L CB -2.633 39.393 42.059 -0.056 0.000 1.865 111 L HN 0.150 nan 8.230 nan 0.000 0.922 112 S N -1.011 114.647 115.700 -0.071 0.000 2.560 112 S HA 0.265 4.735 4.470 -0.000 0.000 0.284 112 S C 1.527 176.081 174.600 -0.077 0.000 1.327 112 S CA -0.083 58.080 58.200 -0.062 0.000 1.055 112 S CB 1.738 64.906 63.200 -0.054 0.000 0.868 112 S HN 0.506 nan 8.310 nan 0.000 0.506 113 S N 2.893 118.563 115.700 -0.051 0.000 2.374 113 S HA -0.268 4.202 4.470 -0.000 0.000 0.227 113 S C 1.707 176.273 174.600 -0.056 0.000 1.037 113 S CA 1.381 59.556 58.200 -0.042 0.000 1.024 113 S CB -0.686 62.499 63.200 -0.024 0.000 0.861 113 S HN 0.861 nan 8.310 nan 0.000 0.456 114 K N 1.722 122.082 120.400 -0.065 0.000 2.002 114 K HA -0.045 4.275 4.320 -0.000 0.000 0.209 114 K C 2.433 178.895 176.600 -0.231 0.000 1.048 114 K CA 1.245 57.490 56.287 -0.071 0.000 0.930 114 K CB -0.716 31.775 32.500 -0.014 0.000 0.714 114 K HN 0.436 nan 8.250 nan 0.000 0.438 115 A N 0.627 123.179 122.820 -0.448 0.000 1.851 115 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 115 A C 2.282 179.602 177.584 -0.440 0.000 1.195 115 A CA 1.946 53.426 52.037 -0.928 0.000 0.622 115 A CB -0.913 17.669 19.000 -0.696 0.000 0.831 115 A HN 0.187 nan 8.150 nan 0.000 0.444 116 V N 1.078 120.859 119.914 -0.222 0.000 2.332 116 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 116 V C 2.339 178.460 176.094 0.045 0.000 1.055 116 V CA 2.252 64.496 62.300 -0.094 0.000 1.038 116 V CB -1.097 30.713 31.823 -0.022 0.000 0.651 116 V HN 0.560 nan 8.190 nan 0.000 0.450 117 N N -0.566 118.158 118.700 0.040 0.000 2.120 117 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 117 N C 1.882 177.446 175.510 0.090 0.000 1.024 117 N CA 1.661 54.764 53.050 0.089 0.000 0.852 117 N CB -0.620 37.891 38.487 0.040 0.000 1.003 117 N HN 0.661 nan 8.380 nan 0.000 0.424 118 H N 0.577 119.621 119.070 -0.043 0.000 2.389 118 H HA 0.063 4.618 4.556 -0.000 0.000 0.299 118 H C 2.023 177.350 175.328 -0.002 0.000 1.081 118 H CA 0.861 56.903 56.048 -0.011 0.000 1.345 118 H CB 0.036 29.842 29.762 0.074 0.000 1.393 118 H HN 0.137 nan 8.280 nan 0.000 0.520 119 I N 0.234 120.728 120.570 -0.127 0.000 2.286 119 I HA -0.277 3.892 4.170 -0.000 0.000 0.248 119 I C 2.240 178.269 176.117 -0.147 0.000 1.115 119 I CA 1.325 62.526 61.300 -0.164 0.000 1.392 119 I CB -0.317 37.581 38.000 -0.169 0.000 1.065 119 I HN 0.309 nan 8.210 nan 0.000 0.418 120 H N -0.202 118.824 119.070 -0.072 0.000 2.389 120 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 120 H C 2.530 177.864 175.328 0.009 0.000 1.081 120 H CA 1.805 57.846 56.048 -0.011 0.000 1.345 120 H CB -0.005 29.739 29.762 -0.030 0.000 1.393 120 H HN 0.360 nan 8.280 nan 0.000 0.520 121 S N -0.147 115.573 115.700 0.034 0.000 2.383 121 S HA -0.121 4.348 4.470 -0.000 0.000 0.227 121 S C 2.241 176.777 174.600 -0.107 0.000 1.026 121 S CA 1.147 59.322 58.200 -0.042 0.000 0.981 121 S CB -0.682 62.464 63.200 -0.090 0.000 0.818 121 S HN 0.160 nan 8.310 nan 0.000 0.472 122 V N 0.858 120.646 119.914 -0.210 0.000 2.358 122 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 122 V C 2.244 178.323 176.094 -0.025 0.000 1.047 122 V CA 1.745 63.938 62.300 -0.178 0.000 1.035 122 V CB -1.050 30.643 31.823 -0.217 0.000 0.658 122 V HN 0.718 nan 8.190 nan 0.000 0.452 123 W N 1.480 122.702 121.300 -0.130 0.000 2.355 123 W HA -0.235 4.425 4.660 -0.000 0.000 0.309 123 W C 2.502 178.988 176.519 -0.054 0.000 1.206 123 W CA 2.287 59.582 57.345 -0.082 0.000 1.284 123 W CB -0.123 29.290 29.460 -0.079 0.000 1.145 123 W HN 0.246 nan 8.180 nan 0.000 0.502 124 K N 0.625 121.079 120.400 0.091 0.000 2.097 124 K HA -0.269 4.051 4.320 -0.000 0.000 0.206 124 K C 1.759 178.296 176.600 -0.105 0.000 1.049 124 K CA 2.267 58.551 56.287 -0.005 0.000 0.933 124 K CB -0.588 31.946 32.500 0.055 0.000 0.717 124 K HN 0.025 nan 8.250 nan 0.000 0.442 125 D N 0.195 120.536 120.400 -0.099 0.000 2.117 125 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 125 D C 1.924 178.129 176.300 -0.159 0.000 0.987 125 D CA 1.008 54.942 54.000 -0.110 0.000 0.829 125 D CB 0.049 40.791 40.800 -0.098 0.000 0.961 125 D HN 0.219 nan 8.370 nan 0.000 0.460 126 L N -0.044 121.042 121.223 -0.229 0.000 2.079 126 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 126 L C 2.447 179.124 176.870 -0.321 0.000 1.081 126 L CA 0.723 55.387 54.840 -0.294 0.000 0.752 126 L CB -0.345 41.463 42.059 -0.418 0.000 0.896 126 L HN 0.244 nan 8.230 nan 0.000 0.433 127 L N -0.823 120.172 121.223 -0.380 0.000 2.156 127 L HA -0.146 4.193 4.340 -0.000 0.000 0.208 127 L C 2.188 178.957 176.870 -0.168 0.000 1.095 127 L CA 1.137 55.797 54.840 -0.300 0.000 0.770 127 L CB -0.357 41.524 42.059 -0.297 0.000 0.914 127 L HN 0.322 nan 8.230 nan 0.000 0.439 128 E N -1.154 118.965 120.200 -0.136 0.000 2.400 128 E HA -0.021 4.329 4.350 -0.000 0.000 0.195 128 E C 0.119 176.673 176.600 -0.077 0.000 1.012 128 E CA 0.074 56.422 56.400 -0.087 0.000 0.875 128 E CB 0.389 30.050 29.700 -0.065 0.000 0.859 128 E HN 0.187 nan 8.360 nan 0.000 0.498 129 D N 0.730 121.075 120.400 -0.092 0.000 2.549 129 D HA 0.057 4.696 4.640 -0.000 0.000 0.251 129 D C -0.247 176.002 176.300 -0.086 0.000 1.153 129 D CA -0.348 53.607 54.000 -0.074 0.000 0.861 129 D CB 1.535 42.296 40.800 -0.064 0.000 1.207 129 D HN -0.044 nan 8.370 nan 0.000 0.543 130 T N 0.607 115.119 114.554 -0.069 0.000 3.266 130 T HA 0.233 4.583 4.350 -0.000 0.000 0.278 130 T C 0.703 175.374 174.700 -0.049 0.000 1.010 130 T CA -0.217 61.841 62.100 -0.069 0.000 0.909 130 T CB 0.336 69.166 68.868 -0.063 0.000 1.122 130 T HN 0.160 nan 8.240 nan 0.000 0.536 131 V N 0.482 120.371 119.914 -0.041 0.000 3.165 131 V HA 0.265 4.385 4.120 -0.000 0.000 0.231 131 V C 0.429 176.514 176.094 -0.015 0.000 1.365 131 V CA 0.536 62.821 62.300 -0.025 0.000 1.286 131 V CB 0.447 32.259 31.823 -0.020 0.000 1.081 131 V HN 0.540 nan 8.190 nan 0.000 0.477 132 T N 4.790 119.334 114.554 -0.018 0.000 2.793 132 T HA 0.191 4.541 4.350 -0.000 0.000 0.289 132 T C -2.499 172.201 174.700 0.000 0.000 0.956 132 T CA -0.256 61.842 62.100 -0.004 0.000 1.177 132 T CB 0.634 69.499 68.868 -0.006 0.000 0.897 132 T HN 0.343 nan 8.240 nan 0.000 0.533 133 P HA 0.142 nan 4.420 nan 0.000 0.265 133 P C -0.191 177.114 177.300 0.009 0.000 1.193 133 P CA -0.044 63.075 63.100 0.032 0.000 0.765 133 P CB 0.351 32.116 31.700 0.108 0.000 0.823 134 I N 2.351 122.909 120.570 -0.020 0.000 2.396 134 I HA 0.166 4.336 4.170 -0.000 0.000 0.292 134 I C 0.909 177.015 176.117 -0.018 0.000 0.999 134 I CA -0.492 60.799 61.300 -0.015 0.000 1.310 134 I CB 0.902 38.881 38.000 -0.035 0.000 1.404 134 I HN 0.324 nan 8.210 nan 0.000 0.496 135 D N 4.297 124.702 120.400 0.007 0.000 2.382 135 D HA 0.239 4.879 4.640 -0.000 0.000 0.240 135 D C -0.361 175.911 176.300 -0.047 0.000 1.146 135 D CA 0.279 54.271 54.000 -0.015 0.000 0.897 135 D CB 0.842 41.647 40.800 0.009 0.000 1.197 135 D HN 0.645 nan 8.370 nan 0.000 0.432 136 T N -0.971 113.525 114.554 -0.097 0.000 2.896 136 T HA 0.584 4.934 4.350 -0.000 0.000 0.297 136 T C -0.519 174.030 174.700 -0.252 0.000 1.108 136 T CA -0.983 61.018 62.100 -0.164 0.000 1.004 136 T CB 1.554 70.351 68.868 -0.118 0.000 1.159 136 T HN 0.221 nan 8.240 nan 0.000 0.499 137 T N 2.183 116.428 114.554 -0.515 0.000 2.824 137 T HA 0.611 4.961 4.350 -0.000 0.000 0.280 137 T C -0.490 173.944 174.700 -0.443 0.000 0.995 137 T CA -0.622 61.147 62.100 -0.551 0.000 1.009 137 T CB 0.831 69.174 68.868 -0.876 0.000 0.955 137 T HN 0.729 nan 8.240 nan 0.000 0.452 138 I N 4.283 124.760 120.570 -0.155 0.000 2.378 138 I HA 0.511 4.681 4.170 -0.000 0.000 0.291 138 I C -0.988 175.162 176.117 0.055 0.000 0.992 138 I CA -0.782 60.519 61.300 0.001 0.000 1.154 138 I CB 0.658 38.702 38.000 0.074 0.000 1.315 138 I HN 0.408 nan 8.210 nan 0.000 0.448 139 M N 6.204 125.891 119.600 0.145 0.000 2.619 139 M HA 0.545 5.024 4.480 -0.000 0.000 0.297 139 M C -0.583 175.785 176.300 0.113 0.000 1.229 139 M CA -0.651 54.738 55.300 0.149 0.000 0.860 139 M CB 1.817 34.567 32.600 0.249 0.000 1.741 139 M HN 0.575 nan 8.290 nan 0.000 0.462 140 A N 1.805 124.672 122.820 0.077 0.000 2.290 140 A HA 0.563 4.883 4.320 -0.000 0.000 0.310 140 A C -0.212 177.409 177.584 0.061 0.000 1.202 140 A CA -0.583 51.489 52.037 0.058 0.000 0.837 140 A CB 0.432 19.453 19.000 0.036 0.000 1.139 140 A HN 0.760 nan 8.150 nan 0.000 0.509 141 K N 1.722 122.159 120.400 0.062 0.000 2.237 141 K HA 0.152 4.472 4.320 -0.000 0.000 0.270 141 K C -0.616 175.992 176.600 0.014 0.000 1.015 141 K CA 0.026 56.336 56.287 0.039 0.000 0.949 141 K CB 0.695 33.226 32.500 0.050 0.000 0.976 141 K HN 0.765 nan 8.250 nan 0.000 0.472 142 N N 2.596 121.273 118.700 -0.038 0.000 2.609 142 N HA 0.098 4.838 4.740 -0.000 0.000 0.234 142 N C -1.276 174.105 175.510 -0.215 0.000 1.001 142 N CA -0.294 52.695 53.050 -0.102 0.000 0.926 142 N CB 0.917 39.343 38.487 -0.102 0.000 1.130 142 N HN 0.385 nan 8.380 nan 0.000 0.510 143 E N 0.977 121.030 120.200 -0.244 0.000 2.288 143 E HA 0.414 4.764 4.350 -0.000 0.000 0.268 143 E C -0.834 175.305 176.600 -0.768 0.000 0.885 143 E CA -0.939 55.180 56.400 -0.469 0.000 0.767 143 E CB 2.625 32.108 29.700 -0.361 0.000 1.220 143 E HN 0.079 nan 8.360 nan 0.000 0.427 144 V N 3.177 122.505 119.914 -0.977 0.000 2.481 144 V HA 0.483 4.603 4.120 -0.000 0.000 0.286 144 V C -0.724 174.672 176.094 -1.163 0.000 1.042 144 V CA -0.147 61.594 62.300 -0.932 0.000 0.928 144 V CB 0.203 31.639 31.823 -0.645 0.000 0.986 144 V HN 0.516 nan 8.190 nan 0.000 0.462 145 F N 1.902 121.511 119.950 -0.569 0.000 2.715 145 F HA 0.594 5.121 4.527 0.000 0.000 0.318 145 F C -0.044 175.593 175.800 -0.272 0.000 1.141 145 F CA -0.769 56.988 58.000 -0.405 0.000 0.950 145 F CB 1.263 40.021 39.000 -0.404 0.000 1.374 145 F HN 0.534 nan 8.300 nan 0.000 0.477 146 C N 2.673 122.097 119.300 0.206 0.000 2.376 146 C HA 0.827 5.286 4.460 -0.000 0.000 0.335 146 C C 0.152 175.361 174.990 0.365 0.000 1.229 146 C CA -0.618 58.545 59.018 0.242 0.000 1.867 146 C CB 0.059 27.891 27.740 0.153 0.000 2.319 146 C HN 0.746 nan 8.230 nan 0.000 0.515 147 V N 4.517 124.661 119.914 0.384 0.000 3.287 147 V HA 0.389 4.509 4.120 -0.000 0.000 0.306 147 V C -0.206 175.976 176.094 0.148 0.000 1.103 147 V CA 0.263 62.724 62.300 0.270 0.000 1.159 147 V CB 0.784 32.689 31.823 0.138 0.000 1.036 147 V HN 0.891 nan 8.190 nan 0.000 0.487 148 Q N 2.478 122.326 119.800 0.081 0.000 3.550 148 Q HA 0.327 4.667 4.340 -0.000 0.000 0.206 148 Q C -2.162 173.847 176.000 0.015 0.000 0.891 148 Q CA -1.539 54.291 55.803 0.045 0.000 0.737 148 Q CB 1.928 30.688 28.738 0.036 0.000 1.417 148 Q HN 0.745 nan 8.270 nan 0.000 0.460 149 P HA -0.168 nan 4.420 nan 0.000 0.216 149 P C 0.652 177.950 177.300 -0.004 0.000 1.150 149 P CA 1.232 64.330 63.100 -0.003 0.000 0.837 149 P CB 0.278 31.977 31.700 -0.002 0.000 0.786 150 E N 0.482 120.682 120.200 0.001 0.000 2.485 150 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 150 E C 1.271 177.869 176.600 -0.003 0.000 1.098 150 E CA 0.482 56.881 56.400 -0.001 0.000 0.878 150 E CB -0.202 29.499 29.700 0.001 0.000 0.939 150 E HN 0.330 nan 8.360 nan 0.000 0.503 151 K N -0.809 119.588 120.400 -0.005 0.000 2.586 151 K HA 0.200 4.520 4.320 -0.000 0.000 0.198 151 K C 0.445 177.037 176.600 -0.014 0.000 1.170 151 K CA 0.453 56.734 56.287 -0.008 0.000 1.069 151 K CB 0.818 33.314 32.500 -0.007 0.000 0.944 151 K HN 0.176 nan 8.250 nan 0.000 0.572 152 G N -0.536 108.254 108.800 -0.016 0.000 2.340 152 G HA2 0.070 4.030 3.960 -0.000 0.000 0.106 152 G HA3 0.070 4.030 3.960 -0.000 0.000 0.106 152 G C 0.529 175.409 174.900 -0.034 0.000 2.445 152 G CA -0.036 45.049 45.100 -0.025 0.000 1.363 152 G HN 0.513 nan 8.290 nan 0.000 0.412 153 G N -0.078 108.696 108.800 -0.042 0.000 2.010 153 G HA2 0.342 4.301 3.960 -0.000 0.000 0.088 153 G HA3 0.342 4.301 3.960 -0.000 0.000 0.088 153 G C -0.657 174.171 174.900 -0.120 0.000 1.216 153 G CA 0.345 45.403 45.100 -0.070 0.000 1.074 153 G HN 0.814 nan 8.290 nan 0.000 0.300 154 R N 1.322 121.702 120.500 -0.201 0.000 2.561 154 R HA 0.481 4.820 4.340 -0.000 0.000 0.297 154 R C -0.400 175.823 176.300 -0.130 0.000 0.969 154 R CA -0.765 55.115 56.100 -0.367 0.000 0.879 154 R CB 2.304 32.133 30.300 -0.784 0.000 1.178 154 R HN 0.636 nan 8.270 nan 0.000 0.445 155 K N 2.199 122.611 120.400 0.020 0.000 2.154 155 K HA 0.410 4.730 4.320 -0.000 0.000 0.264 155 K C -2.416 174.218 176.600 0.057 0.000 1.008 155 K CA -1.618 54.662 56.287 -0.011 0.000 0.937 155 K CB 0.564 32.977 32.500 -0.145 0.000 1.002 155 K HN 0.121 nan 8.250 nan 0.000 0.469 156 P HA 0.053 nan 4.420 nan 0.000 0.274 156 P C -0.922 176.427 177.300 0.080 0.000 1.237 156 P CA -0.448 62.679 63.100 0.045 0.000 0.793 156 P CB 0.754 32.461 31.700 0.012 0.000 0.977 157 A N 2.582 125.456 122.820 0.089 0.000 2.483 157 A HA 0.153 4.473 4.320 -0.000 0.000 0.238 157 A C 0.492 178.128 177.584 0.086 0.000 1.070 157 A CA 0.014 52.116 52.037 0.107 0.000 0.770 157 A CB -0.155 18.893 19.000 0.080 0.000 1.008 157 A HN 0.448 nan 8.150 nan 0.000 0.497 158 R N 0.191 120.758 120.500 0.112 0.000 2.543 158 R HA 0.474 4.814 4.340 -0.000 0.000 0.268 158 R C -0.906 175.451 176.300 0.095 0.000 1.067 158 R CA -0.731 55.433 56.100 0.106 0.000 1.142 158 R CB 0.369 30.747 30.300 0.131 0.000 1.110 158 R HN 0.492 nan 8.270 nan 0.000 0.549 159 L N 1.509 122.794 121.223 0.103 0.000 2.334 159 L HA 0.521 4.861 4.340 -0.000 0.000 0.270 159 L C -0.393 176.566 176.870 0.148 0.000 1.018 159 L CA -0.733 54.173 54.840 0.109 0.000 0.811 159 L CB 1.150 43.264 42.059 0.092 0.000 1.271 159 L HN 0.481 nan 8.230 nan 0.000 0.443 160 I N 1.189 121.865 120.570 0.177 0.000 2.533 160 I HA 0.605 4.775 4.170 -0.000 0.000 0.290 160 I C -1.208 175.096 176.117 0.311 0.000 1.056 160 I CA -0.357 61.082 61.300 0.231 0.000 1.057 160 I CB 1.966 40.090 38.000 0.206 0.000 1.240 160 I HN 0.175 nan 8.210 nan 0.000 0.423 161 V N 8.728 128.825 119.914 0.305 0.000 2.444 161 V HA 0.612 4.732 4.120 -0.000 0.000 0.294 161 V C -0.851 175.427 176.094 0.307 0.000 1.022 161 V CA -0.468 61.968 62.300 0.226 0.000 0.850 161 V CB 1.145 33.070 31.823 0.171 0.000 0.992 161 V HN 0.579 nan 8.190 nan 0.000 0.426 162 F N 5.052 125.047 119.950 0.075 0.000 2.601 162 F HA 0.935 5.462 4.527 -0.001 0.000 0.309 162 F C -3.041 172.799 175.800 0.066 0.000 1.089 162 F CA -2.820 55.225 58.000 0.075 0.000 0.940 162 F CB 1.695 40.734 39.000 0.066 0.000 1.273 162 F HN 0.289 nan 8.300 nan 0.000 0.450 163 P HA 0.171 nan 4.420 nan 0.000 0.279 163 P C -1.028 176.387 177.300 0.192 0.000 1.276 163 P CA -0.154 63.010 63.100 0.107 0.000 0.801 163 P CB 1.263 33.034 31.700 0.119 0.000 1.127 164 D N -0.655 119.841 120.400 0.160 0.000 2.400 164 D HA -0.058 4.582 4.640 -0.000 0.000 0.238 164 D C 1.383 177.821 176.300 0.230 0.000 1.157 164 D CA -0.294 53.829 54.000 0.206 0.000 0.889 164 D CB 0.277 41.246 40.800 0.283 0.000 1.199 164 D HN 0.098 nan 8.370 nan 0.000 0.436 165 L N 3.467 124.808 121.223 0.196 0.000 2.051 165 L HA -0.059 4.280 4.340 -0.000 0.000 0.214 165 L C 2.055 179.076 176.870 0.251 0.000 1.076 165 L CA 2.656 57.605 54.840 0.181 0.000 0.758 165 L CB -1.144 40.975 42.059 0.100 0.000 0.890 165 L HN 0.678 nan 8.230 nan 0.000 0.433 166 G N -1.326 107.687 108.800 0.356 0.000 2.440 166 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 166 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 166 G C 1.540 176.551 174.900 0.186 0.000 1.154 166 G CA 1.109 46.428 45.100 0.366 0.000 0.767 166 G HN 0.367 nan 8.290 nan 0.000 0.552 167 V N 0.709 120.728 119.914 0.175 0.000 2.427 167 V HA -0.142 3.977 4.120 -0.000 0.000 0.248 167 V C 2.919 179.094 176.094 0.134 0.000 1.051 167 V CA 1.790 64.165 62.300 0.123 0.000 1.048 167 V CB -0.433 31.454 31.823 0.108 0.000 0.666 167 V HN 0.331 nan 8.190 nan 0.000 0.456 168 R N -0.286 120.305 120.500 0.151 0.000 2.096 168 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 168 R C 2.219 178.582 176.300 0.105 0.000 1.127 168 R CA 1.412 57.594 56.100 0.137 0.000 0.968 168 R CB -0.594 29.784 30.300 0.130 0.000 0.861 168 R HN 0.427 nan 8.270 nan 0.000 0.440 169 V N 0.357 120.327 119.914 0.093 0.000 2.427 169 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 169 V C 2.461 178.584 176.094 0.047 0.000 1.051 169 V CA 1.442 63.765 62.300 0.039 0.000 1.048 169 V CB -0.430 31.405 31.823 0.020 0.000 0.666 169 V HN 0.436 nan 8.190 nan 0.000 0.456 170 C N -0.112 119.256 119.300 0.113 0.000 2.440 170 C HA -0.119 4.340 4.460 -0.000 0.000 0.278 170 C C 2.662 177.809 174.990 0.261 0.000 1.295 170 C CA 0.788 59.947 59.018 0.235 0.000 1.738 170 C CB -0.933 26.985 27.740 0.296 0.000 1.987 170 C HN 0.619 nan 8.230 nan 0.000 0.492 171 E N 0.858 121.172 120.200 0.189 0.000 2.077 171 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 171 E C 2.146 178.858 176.600 0.185 0.000 0.989 171 E CA 1.151 57.673 56.400 0.204 0.000 0.800 171 E CB -0.133 29.697 29.700 0.216 0.000 0.746 171 E HN 0.634 nan 8.360 nan 0.000 0.452 172 K N 0.437 120.917 120.400 0.132 0.000 2.032 172 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 172 K C 2.226 178.882 176.600 0.094 0.000 1.048 172 K CA 1.558 57.908 56.287 0.105 0.000 0.927 172 K CB -0.175 32.312 32.500 -0.022 0.000 0.712 172 K HN 0.099 nan 8.250 nan 0.000 0.441 173 M N 0.384 119.997 119.600 0.022 0.000 2.073 173 M HA -0.226 4.253 4.480 -0.000 0.000 0.258 173 M C 2.447 178.783 176.300 0.060 0.000 1.070 173 M CA 1.999 57.252 55.300 -0.079 0.000 1.103 173 M CB -0.403 31.973 32.600 -0.373 0.000 1.321 173 M HN 0.261 nan 8.290 nan 0.000 0.405 174 A N -0.714 122.260 122.820 0.256 0.000 1.970 174 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 174 A C 1.833 179.511 177.584 0.156 0.000 1.170 174 A CA 1.132 53.354 52.037 0.307 0.000 0.645 174 A CB -0.226 19.003 19.000 0.382 0.000 0.816 174 A HN 0.501 nan 8.150 nan 0.000 0.447 175 L N -3.000 118.302 121.223 0.131 0.000 3.086 175 L HA 0.196 4.536 4.340 -0.000 0.000 0.274 175 L C 1.798 178.705 176.870 0.062 0.000 1.184 175 L CA -0.021 54.842 54.840 0.038 0.000 1.002 175 L CB 0.038 42.081 42.059 -0.026 0.000 1.383 175 L HN 0.426 nan 8.230 nan 0.000 0.582 176 Y N 1.599 121.911 120.300 0.021 0.000 2.128 176 Y HA -0.343 4.207 4.550 -0.000 0.000 0.284 176 Y C 2.229 178.159 175.900 0.050 0.000 1.154 176 Y CA 2.303 60.431 58.100 0.047 0.000 1.149 176 Y CB 0.043 38.519 38.460 0.026 0.000 0.976 176 Y HN 0.238 nan 8.280 nan 0.000 0.505 177 D N -0.748 119.668 120.400 0.027 0.000 2.144 177 D HA -0.164 4.475 4.640 -0.000 0.000 0.199 177 D C 2.215 178.443 176.300 -0.120 0.000 0.984 177 D CA 1.421 55.380 54.000 -0.068 0.000 0.834 177 D CB -0.230 40.587 40.800 0.028 0.000 0.955 177 D HN 0.268 nan 8.370 nan 0.000 0.465 178 V N 0.410 120.265 119.914 -0.098 0.000 2.261 178 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 178 V C 2.669 178.655 176.094 -0.180 0.000 1.047 178 V CA 1.815 64.038 62.300 -0.129 0.000 1.015 178 V CB -0.614 31.111 31.823 -0.164 0.000 0.642 178 V HN 0.347 nan 8.190 nan 0.000 0.446 179 V N -2.486 117.305 119.914 -0.206 0.000 3.141 179 V HA -0.070 4.050 4.120 -0.000 0.000 0.265 179 V C 1.970 177.911 176.094 -0.255 0.000 1.126 179 V CA 2.011 64.181 62.300 -0.216 0.000 1.141 179 V CB -0.301 31.419 31.823 -0.172 0.000 0.743 179 V HN 0.457 nan 8.190 nan 0.000 0.492 180 S N 0.976 116.519 115.700 -0.261 0.000 2.458 180 S HA -0.018 4.452 4.470 -0.000 0.000 0.223 180 S C 1.908 176.403 174.600 -0.175 0.000 1.019 180 S CA 1.324 59.384 58.200 -0.233 0.000 0.937 180 S CB 0.103 63.105 63.200 -0.331 0.000 0.788 180 S HN 0.941 nan 8.310 nan 0.000 0.511 181 T N -0.698 113.750 114.554 -0.177 0.000 3.026 181 T HA 0.288 4.638 4.350 -0.000 0.000 0.245 181 T C 1.685 176.275 174.700 -0.183 0.000 1.004 181 T CA -0.160 61.850 62.100 -0.148 0.000 1.069 181 T CB -0.561 68.246 68.868 -0.101 0.000 1.005 181 T HN 0.213 nan 8.240 nan 0.000 0.472 182 L N 1.921 123.034 121.223 -0.183 0.000 2.046 182 L HA 0.084 4.423 4.340 -0.000 0.000 0.208 182 L C -0.849 175.851 176.870 -0.285 0.000 1.077 182 L CA 1.485 56.220 54.840 -0.174 0.000 0.747 182 L CB -0.877 41.127 42.059 -0.092 0.000 0.896 182 L HN 0.166 nan 8.230 nan 0.000 0.432 183 P HA -0.247 nan 4.420 nan 0.000 0.214 183 P C 1.372 178.196 177.300 -0.793 0.000 1.163 183 P CA 1.364 63.998 63.100 -0.777 0.000 0.889 183 P CB -0.175 30.698 31.700 -1.379 0.000 0.790 184 Q N -0.005 119.373 119.800 -0.703 0.000 2.170 184 Q HA -0.107 4.232 4.340 -0.000 0.000 0.203 184 Q C 1.954 177.811 176.000 -0.238 0.000 0.976 184 Q CA 1.487 57.082 55.803 -0.347 0.000 0.858 184 Q CB -0.793 27.848 28.738 -0.162 0.000 0.907 184 Q HN 0.081 nan 8.270 nan 0.000 0.433 185 V N -0.044 119.736 119.914 -0.224 0.000 2.379 185 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 185 V C 2.481 178.477 176.094 -0.162 0.000 1.044 185 V CA 1.335 63.543 62.300 -0.153 0.000 1.036 185 V CB -0.325 31.426 31.823 -0.120 0.000 0.664 185 V HN 0.124 nan 8.190 nan 0.000 0.453 186 V N -0.654 119.130 119.914 -0.217 0.000 2.453 186 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 186 V C 1.982 177.887 176.094 -0.315 0.000 1.048 186 V CA 1.928 64.094 62.300 -0.223 0.000 1.049 186 V CB -0.382 31.301 31.823 -0.233 0.000 0.672 186 V HN 0.481 nan 8.190 nan 0.000 0.457 187 M N -1.144 118.206 119.600 -0.417 0.000 2.333 187 M HA 0.376 4.855 4.480 -0.000 0.000 0.257 187 M C 1.448 177.618 176.300 -0.218 0.000 1.078 187 M CA 0.697 55.672 55.300 -0.541 0.000 1.005 187 M CB 0.516 32.667 32.600 -0.750 0.000 1.444 187 M HN 0.423 nan 8.290 nan 0.000 0.496 188 G N 1.775 110.482 108.800 -0.156 0.000 2.611 188 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.301 188 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.301 188 G C 0.851 175.697 174.900 -0.091 0.000 1.233 188 G CA 0.895 45.945 45.100 -0.084 0.000 0.993 188 G HN 0.539 nan 8.290 nan 0.000 0.553 189 S N -0.640 115.024 115.700 -0.059 0.000 2.500 189 S HA 0.073 4.542 4.470 -0.000 0.000 0.239 189 S C 2.188 176.629 174.600 -0.265 0.000 0.989 189 S CA 1.957 60.055 58.200 -0.170 0.000 0.951 189 S CB -0.082 63.078 63.200 -0.066 0.000 0.759 189 S HN 0.977 nan 8.310 nan 0.000 0.523 190 S N 0.167 115.845 115.700 -0.037 0.000 2.489 190 S HA 0.130 4.599 4.470 -0.000 0.000 0.228 190 S C 0.227 174.832 174.600 0.008 0.000 0.995 190 S CA -0.117 58.129 58.200 0.076 0.000 0.934 190 S CB -0.392 62.972 63.200 0.272 0.000 0.771 190 S HN 0.705 nan 8.310 nan 0.000 0.522 191 Y N 2.918 123.074 120.300 -0.241 0.000 2.584 191 Y HA 0.440 4.990 4.550 -0.000 0.000 0.351 191 Y C 1.247 176.915 175.900 -0.388 0.000 1.030 191 Y CA -1.343 56.586 58.100 -0.285 0.000 1.332 191 Y CB 0.075 38.365 38.460 -0.284 0.000 1.148 191 Y HN 0.056 nan 8.280 nan 0.000 0.528 192 G N 4.468 112.849 108.800 -0.699 0.000 2.484 192 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 192 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 192 G C 1.013 175.375 174.900 -0.897 0.000 1.130 192 G CA 0.125 44.827 45.100 -0.664 0.000 0.784 192 G HN 0.642 nan 8.290 nan 0.000 0.543 193 F N 1.260 120.486 119.950 -1.205 0.000 2.771 193 F HA 0.042 4.569 4.527 0.000 0.000 0.299 193 F C 2.772 178.318 175.800 -0.423 0.000 1.177 193 F CA 0.830 58.224 58.000 -1.009 0.000 1.450 193 F CB -0.017 38.364 39.000 -1.030 0.000 1.114 193 F HN 0.383 nan 8.300 nan 0.000 0.587 194 Q N -0.961 118.603 119.800 -0.393 0.000 2.425 194 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 194 Q C -0.615 175.302 176.000 -0.139 0.000 0.933 194 Q CA 0.560 56.249 55.803 -0.191 0.000 0.939 194 Q CB -0.222 28.306 28.738 -0.350 0.000 1.044 194 Q HN 0.273 nan 8.270 nan 0.000 0.513 195 Y N 1.788 122.106 120.300 0.030 0.000 2.342 195 Y HA 0.339 4.889 4.550 -0.000 0.000 0.334 195 Y C 0.646 176.411 175.900 -0.225 0.000 1.067 195 Y CA -1.345 56.718 58.100 -0.061 0.000 1.128 195 Y CB 1.488 39.871 38.460 -0.128 0.000 1.200 195 Y HN 0.099 nan 8.280 nan 0.000 0.464 196 S N 2.250 117.722 115.700 -0.381 0.000 2.655 196 S HA 0.308 4.777 4.470 -0.000 0.000 0.265 196 S C -2.034 172.229 174.600 -0.563 0.000 1.240 196 S CA -1.100 56.354 58.200 -1.243 0.000 0.986 196 S CB 1.256 63.903 63.200 -0.921 0.000 0.985 196 S HN 0.404 nan 8.310 nan 0.000 0.562 197 P HA 0.020 nan 4.420 nan 0.000 0.215 197 P C 1.695 178.921 177.300 -0.123 0.000 1.153 197 P CA 1.658 64.633 63.100 -0.209 0.000 0.853 197 P CB -0.519 31.128 31.700 -0.088 0.000 0.788 198 G N -0.406 108.301 108.800 -0.154 0.000 2.408 198 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 198 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 198 G C 1.481 176.326 174.900 -0.091 0.000 1.150 198 G CA 0.490 45.547 45.100 -0.071 0.000 0.776 198 G HN 0.320 nan 8.290 nan 0.000 0.542 199 Q N -0.539 119.184 119.800 -0.128 0.000 2.172 199 Q HA 0.057 4.397 4.340 -0.000 0.000 0.200 199 Q C 2.559 178.374 176.000 -0.309 0.000 0.964 199 Q CA 0.609 56.333 55.803 -0.132 0.000 0.855 199 Q CB -0.076 28.668 28.738 0.010 0.000 0.918 199 Q HN 0.429 nan 8.270 nan 0.000 0.444 200 R N 0.517 120.868 120.500 -0.248 0.000 2.075 200 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 200 R C 2.073 178.270 176.300 -0.172 0.000 1.126 200 R CA 1.055 56.992 56.100 -0.272 0.000 0.963 200 R CB -0.038 30.211 30.300 -0.086 0.000 0.858 200 R HN 0.088 nan 8.270 nan 0.000 0.435 201 V N 1.380 121.223 119.914 -0.119 0.000 2.343 201 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 201 V C 2.355 178.371 176.094 -0.130 0.000 1.051 201 V CA 2.219 64.456 62.300 -0.106 0.000 1.036 201 V CB -0.596 31.203 31.823 -0.040 0.000 0.654 201 V HN 0.491 nan 8.190 nan 0.000 0.451 202 E N -0.293 119.845 120.200 -0.104 0.000 2.058 202 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 202 E C 2.123 178.667 176.600 -0.094 0.000 0.997 202 E CA 1.805 58.155 56.400 -0.084 0.000 0.801 202 E CB -0.232 29.437 29.700 -0.053 0.000 0.746 202 E HN 0.535 nan 8.360 nan 0.000 0.450 203 F N 1.179 120.941 119.950 -0.314 0.000 2.134 203 F HA -0.118 4.409 4.527 0.000 0.000 0.299 203 F C 1.900 177.580 175.800 -0.200 0.000 1.097 203 F CA 1.231 59.045 58.000 -0.310 0.000 1.264 203 F CB -0.233 38.414 39.000 -0.588 0.000 1.001 203 F HN 0.013 nan 8.300 nan 0.000 0.479 204 L N -0.901 120.164 121.223 -0.264 0.000 2.017 204 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 204 L C 2.412 179.124 176.870 -0.264 0.000 1.073 204 L CA 1.157 55.820 54.840 -0.294 0.000 0.745 204 L CB -0.919 41.017 42.059 -0.204 0.000 0.894 204 L HN -0.024 nan 8.230 nan 0.000 0.432 205 V N 0.180 119.928 119.914 -0.275 0.000 2.295 205 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 205 V C 2.229 178.227 176.094 -0.160 0.000 1.049 205 V CA 1.926 64.050 62.300 -0.293 0.000 1.024 205 V CB -0.687 30.865 31.823 -0.452 0.000 0.648 205 V HN 0.487 nan 8.190 nan 0.000 0.447 206 N N -0.028 118.572 118.700 -0.167 0.000 2.166 206 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 206 N C 1.898 177.314 175.510 -0.156 0.000 1.019 206 N CA 1.877 54.854 53.050 -0.122 0.000 0.856 206 N CB -0.658 37.776 38.487 -0.088 0.000 0.993 206 N HN 0.450 nan 8.380 nan 0.000 0.426 207 T N 0.526 114.905 114.554 -0.292 0.000 2.746 207 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 207 T C 1.475 176.086 174.700 -0.149 0.000 1.039 207 T CA 0.621 62.526 62.100 -0.324 0.000 1.142 207 T CB -0.167 68.328 68.868 -0.622 0.000 0.866 207 T HN 0.428 nan 8.240 nan 0.000 0.444 208 W N 2.217 123.353 121.300 -0.273 0.000 2.355 208 W HA -0.090 4.569 4.660 -0.002 0.000 0.309 208 W C 1.758 178.190 176.519 -0.145 0.000 1.206 208 W CA 1.152 58.379 57.345 -0.197 0.000 1.284 208 W CB -0.164 29.170 29.460 -0.210 0.000 1.145 208 W HN 0.246 nan 8.180 nan 0.000 0.502 209 K N 0.358 120.773 120.400 0.025 0.000 2.283 209 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 209 K C 2.149 178.693 176.600 -0.093 0.000 1.048 209 K CA 1.557 57.825 56.287 -0.031 0.000 0.948 209 K CB -0.287 32.217 32.500 0.007 0.000 0.742 209 K HN 0.057 nan 8.250 nan 0.000 0.458 210 S N 0.547 116.181 115.700 -0.111 0.000 2.481 210 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 210 S C 0.605 175.128 174.600 -0.128 0.000 0.996 210 S CA 0.394 58.532 58.200 -0.103 0.000 0.942 210 S CB 0.020 63.162 63.200 -0.096 0.000 0.768 210 S HN -0.031 nan 8.310 nan 0.000 0.520 211 K N 1.762 122.043 120.400 -0.197 0.000 2.118 211 K HA 0.380 4.700 4.320 -0.000 0.000 0.267 211 K C 0.643 177.126 176.600 -0.195 0.000 0.991 211 K CA -0.406 55.754 56.287 -0.212 0.000 0.916 211 K CB 0.988 33.303 32.500 -0.309 0.000 1.041 211 K HN 0.177 nan 8.250 nan 0.000 0.455 212 K N 0.951 121.264 120.400 -0.144 0.000 2.001 212 K HA -0.023 4.297 4.320 -0.000 0.000 0.208 212 K C 0.168 176.688 176.600 -0.133 0.000 1.048 212 K CA 1.070 57.289 56.287 -0.113 0.000 0.932 212 K CB 0.151 32.603 32.500 -0.079 0.000 0.715 212 K HN 0.426 nan 8.250 nan 0.000 0.437 213 N N 1.454 120.065 118.700 -0.149 0.000 2.762 213 N HA 0.196 4.936 4.740 -0.000 0.000 0.252 213 N C -2.842 172.543 175.510 -0.208 0.000 1.269 213 N CA -1.139 51.824 53.050 -0.144 0.000 0.799 213 N CB 1.519 39.954 38.487 -0.087 0.000 1.173 213 N HN 0.056 nan 8.380 nan 0.000 0.516 214 P HA 0.087 nan 4.420 nan 0.000 0.268 214 P C -0.246 176.756 177.300 -0.497 0.000 1.205 214 P CA -0.136 62.526 63.100 -0.730 0.000 0.771 214 P CB 1.166 31.862 31.700 -1.673 0.000 0.858 215 M N 2.266 121.647 119.600 -0.365 0.000 2.371 215 M HA 0.627 5.107 4.480 -0.000 0.000 0.287 215 M C -1.394 174.892 176.300 -0.024 0.000 1.149 215 M CA -0.280 54.945 55.300 -0.125 0.000 0.929 215 M CB 2.424 35.029 32.600 0.008 0.000 1.683 215 M HN 0.583 nan 8.290 nan 0.000 0.470 216 G N 3.776 112.648 108.800 0.120 0.000 2.660 216 G HA2 0.836 4.796 3.960 -0.000 0.000 0.294 216 G HA3 0.836 4.796 3.960 -0.000 0.000 0.294 216 G C -2.013 172.985 174.900 0.164 0.000 1.369 216 G CA -0.603 44.592 45.100 0.159 0.000 0.912 216 G HN 0.827 nan 8.290 nan 0.000 0.479 217 F N -0.462 119.449 119.950 -0.066 0.000 2.668 217 F HA 0.819 5.347 4.527 0.002 0.000 0.309 217 F C -0.290 175.491 175.800 -0.033 0.000 1.117 217 F CA -1.531 56.427 58.000 -0.069 0.000 0.951 217 F CB 1.475 40.418 39.000 -0.095 0.000 1.323 217 F HN 0.636 nan 8.300 nan 0.000 0.451 218 S N 1.036 116.791 115.700 0.093 0.000 2.509 218 S HA 0.641 5.111 4.470 -0.000 0.000 0.297 218 S C -1.634 173.122 174.600 0.259 0.000 1.118 218 S CA -0.590 57.635 58.200 0.043 0.000 1.074 218 S CB 1.632 64.850 63.200 0.031 0.000 1.038 218 S HN 0.851 nan 8.310 nan 0.000 0.498 219 Y N 1.664 122.046 120.300 0.136 0.000 2.334 219 Y HA 0.457 5.007 4.550 -0.001 0.000 0.336 219 Y C -0.854 175.166 175.900 0.200 0.000 0.960 219 Y CA -0.893 57.371 58.100 0.274 0.000 1.164 219 Y CB 1.322 40.046 38.460 0.440 0.000 1.155 219 Y HN 0.864 nan 8.280 nan 0.000 0.478 220 D N 4.472 124.702 120.400 -0.283 0.000 2.443 220 D HA 0.212 4.852 4.640 -0.000 0.000 0.221 220 D C -0.753 175.379 176.300 -0.280 0.000 1.097 220 D CA -0.104 53.792 54.000 -0.173 0.000 0.865 220 D CB 0.830 41.570 40.800 -0.100 0.000 1.034 220 D HN 0.469 nan 8.370 nan 0.000 0.511 221 T N 3.926 118.482 114.554 0.003 0.000 2.851 221 T HA 0.116 4.466 4.350 -0.000 0.000 0.298 221 T C 0.355 175.134 174.700 0.133 0.000 0.977 221 T CA -0.524 61.666 62.100 0.151 0.000 1.126 221 T CB 0.770 69.949 68.868 0.518 0.000 0.916 221 T HN 0.279 nan 8.240 nan 0.000 0.529 222 R N 2.635 123.177 120.500 0.070 0.000 2.351 222 R HA 0.065 4.405 4.340 -0.000 0.000 0.318 222 R C 0.172 176.574 176.300 0.171 0.000 1.055 222 R CA -0.152 55.987 56.100 0.065 0.000 0.968 222 R CB -0.731 29.547 30.300 -0.037 0.000 0.974 222 R HN 0.949 nan 8.270 nan 0.000 0.439 223 C N 6.749 126.183 119.300 0.224 0.000 3.112 223 C HA -0.198 4.262 4.460 -0.000 0.000 0.265 223 C C 1.378 176.581 174.990 0.355 0.000 1.283 223 C CA 0.204 59.409 59.018 0.311 0.000 2.378 223 C CB -2.435 25.549 27.740 0.407 0.000 1.500 223 C HN 1.019 nan 8.230 nan 0.000 0.483 224 F N 1.965 122.036 119.950 0.200 0.000 2.087 224 F HA -0.134 4.393 4.527 -0.001 0.000 0.299 224 F C 1.841 177.750 175.800 0.183 0.000 1.100 224 F CA 2.556 60.672 58.000 0.194 0.000 1.226 224 F CB -0.113 38.988 39.000 0.168 0.000 0.983 224 F HN 0.584 nan 8.300 nan 0.000 0.479 225 D N -0.424 120.224 120.400 0.412 0.000 2.133 225 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 225 D C 2.418 178.780 176.300 0.103 0.000 0.997 225 D CA 1.760 55.924 54.000 0.274 0.000 0.840 225 D CB -0.543 40.413 40.800 0.259 0.000 0.947 225 D HN 0.261 nan 8.370 nan 0.000 0.452 226 S N -0.567 115.201 115.700 0.112 0.000 2.489 226 S HA -0.080 4.390 4.470 -0.000 0.000 0.228 226 S C 1.980 176.530 174.600 -0.082 0.000 0.995 226 S CA 1.209 59.359 58.200 -0.082 0.000 0.934 226 S CB -0.110 62.969 63.200 -0.201 0.000 0.771 226 S HN 0.510 nan 8.310 nan 0.000 0.522 227 T N -0.527 114.069 114.554 0.069 0.000 3.088 227 T HA 0.133 4.483 4.350 -0.000 0.000 0.259 227 T C 0.600 175.231 174.700 -0.115 0.000 1.122 227 T CA 0.018 62.150 62.100 0.053 0.000 1.095 227 T CB -0.385 68.456 68.868 -0.045 0.000 0.930 227 T HN 0.034 nan 8.240 nan 0.000 0.508 228 V N 4.070 123.884 119.914 -0.168 0.000 2.446 228 V HA 0.319 4.439 4.120 -0.000 0.000 0.276 228 V C 1.153 177.199 176.094 -0.080 0.000 1.030 228 V CA -0.238 61.987 62.300 -0.124 0.000 1.033 228 V CB 0.003 31.797 31.823 -0.048 0.000 0.993 228 V HN 0.718 nan 8.190 nan 0.000 0.477 229 T N 0.846 115.367 114.554 -0.054 0.000 2.884 229 T HA 0.319 4.669 4.350 -0.000 0.000 0.277 229 T C 1.051 175.736 174.700 -0.025 0.000 0.976 229 T CA -0.278 61.795 62.100 -0.045 0.000 0.956 229 T CB 1.436 70.283 68.868 -0.034 0.000 1.113 229 T HN 0.646 nan 8.240 nan 0.000 0.554 230 E N 0.282 120.469 120.200 -0.022 0.000 2.077 230 E HA -0.246 4.103 4.350 -0.000 0.000 0.193 230 E C 1.968 178.571 176.600 0.005 0.000 0.989 230 E CA 1.542 57.941 56.400 -0.003 0.000 0.800 230 E CB -0.234 29.464 29.700 -0.003 0.000 0.746 230 E HN 0.750 nan 8.360 nan 0.000 0.452 231 N N 0.807 119.505 118.700 -0.002 0.000 2.036 231 N HA -0.216 4.524 4.740 -0.000 0.000 0.195 231 N C 1.473 176.998 175.510 0.025 0.000 1.037 231 N CA 2.262 55.315 53.050 0.006 0.000 0.855 231 N CB -0.184 38.295 38.487 -0.012 0.000 1.033 231 N HN 0.121 nan 8.380 nan 0.000 0.423 232 D N 0.046 120.462 120.400 0.026 0.000 2.133 232 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 232 D C 1.980 178.292 176.300 0.021 0.000 0.997 232 D CA 1.152 55.178 54.000 0.044 0.000 0.840 232 D CB -0.298 40.522 40.800 0.034 0.000 0.947 232 D HN 0.497 nan 8.370 nan 0.000 0.452 233 I N 0.344 120.927 120.570 0.021 0.000 2.353 233 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 233 I C 2.467 178.592 176.117 0.014 0.000 1.119 233 I CA 0.724 62.041 61.300 0.029 0.000 1.417 233 I CB -0.062 37.977 38.000 0.065 0.000 1.078 233 I HN -0.121 nan 8.210 nan 0.000 0.421 234 R N 0.072 120.580 120.500 0.014 0.000 2.115 234 R HA -0.049 4.291 4.340 -0.000 0.000 0.226 234 R C 2.326 178.606 176.300 -0.034 0.000 1.100 234 R CA 0.830 56.933 56.100 0.005 0.000 0.980 234 R CB -0.227 30.081 30.300 0.013 0.000 0.875 234 R HN 0.188 nan 8.270 nan 0.000 0.445 235 V N 1.330 121.226 119.914 -0.030 0.000 2.358 235 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 235 V C 1.881 177.879 176.094 -0.160 0.000 1.047 235 V CA 1.770 64.038 62.300 -0.053 0.000 1.035 235 V CB -0.331 31.497 31.823 0.008 0.000 0.658 235 V HN 0.331 nan 8.190 nan 0.000 0.452 236 E N -0.413 119.661 120.200 -0.210 0.000 2.085 236 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 236 E C 2.360 178.448 176.600 -0.854 0.000 0.994 236 E CA 1.325 57.438 56.400 -0.479 0.000 0.801 236 E CB -0.148 29.333 29.700 -0.364 0.000 0.743 236 E HN 0.537 nan 8.360 nan 0.000 0.453 237 E N 0.548 120.488 120.200 -0.434 0.000 2.106 237 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 237 E C 2.108 178.625 176.600 -0.139 0.000 0.984 237 E CA 1.404 57.676 56.400 -0.212 0.000 0.806 237 E CB 0.044 29.769 29.700 0.042 0.000 0.750 237 E HN 0.240 nan 8.360 nan 0.000 0.458 238 S N 0.233 115.854 115.700 -0.132 0.000 2.399 238 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 238 S C 2.142 176.691 174.600 -0.085 0.000 1.022 238 S CA 0.841 58.998 58.200 -0.072 0.000 0.983 238 S CB -0.488 62.678 63.200 -0.057 0.000 0.803 238 S HN 0.260 nan 8.310 nan 0.000 0.480 239 I N 0.025 120.488 120.570 -0.178 0.000 2.233 239 I HA -0.102 4.068 4.170 -0.000 0.000 0.243 239 I C 2.300 178.403 176.117 -0.023 0.000 1.093 239 I CA 1.180 62.398 61.300 -0.138 0.000 1.380 239 I CB -0.508 37.366 38.000 -0.209 0.000 1.067 239 I HN 0.208 nan 8.210 nan 0.000 0.413 240 Y N 1.177 121.471 120.300 -0.011 0.000 2.165 240 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 240 Y C 2.669 178.571 175.900 0.004 0.000 1.155 240 Y CA 0.689 58.786 58.100 -0.004 0.000 1.164 240 Y CB -1.126 37.346 38.460 0.020 0.000 0.978 240 Y HN 0.232 nan 8.280 nan 0.000 0.513 241 Q N -1.130 118.764 119.800 0.157 0.000 2.437 241 Q HA -0.131 4.209 4.340 -0.000 0.000 0.210 241 Q C 2.325 178.358 176.000 0.055 0.000 0.972 241 Q CA 0.937 56.796 55.803 0.093 0.000 0.903 241 Q CB -0.814 27.962 28.738 0.063 0.000 0.967 241 Q HN 0.522 nan 8.270 nan 0.000 0.486 242 C N 0.126 119.452 119.300 0.042 0.000 2.432 242 C HA -0.040 4.420 4.460 -0.000 0.000 0.282 242 C C 1.620 176.625 174.990 0.024 0.000 1.388 242 C CA -0.668 58.363 59.018 0.021 0.000 1.777 242 C CB -0.681 27.061 27.740 0.003 0.000 1.882 242 C HN 0.417 nan 8.230 nan 0.000 0.520 243 C N 1.766 121.090 119.300 0.040 0.000 2.700 243 C HA 0.111 4.571 4.460 -0.000 0.000 0.397 243 C C 0.588 175.594 174.990 0.027 0.000 1.301 243 C CA -0.220 58.816 59.018 0.030 0.000 2.219 243 C CB -0.210 27.552 27.740 0.037 0.000 2.699 243 C HN 0.501 nan 8.230 nan 0.000 0.669 244 D N 1.699 122.110 120.400 0.019 0.000 2.352 244 D HA 0.445 5.085 4.640 -0.000 0.000 0.245 244 D C -0.634 175.681 176.300 0.025 0.000 1.224 244 D CA 0.309 54.321 54.000 0.019 0.000 0.879 244 D CB 0.055 40.862 40.800 0.012 0.000 1.057 244 D HN 0.393 nan 8.370 nan 0.000 0.491 245 L N 1.888 123.131 121.223 0.034 0.000 2.333 245 L HA 0.669 5.009 4.340 -0.000 0.000 0.263 245 L C 0.428 177.326 176.870 0.046 0.000 1.014 245 L CA -1.399 53.467 54.840 0.043 0.000 0.820 245 L CB 1.767 43.859 42.059 0.055 0.000 1.352 245 L HN 0.301 nan 8.230 nan 0.000 0.421 246 A N 1.323 124.177 122.820 0.058 0.000 2.386 246 A HA 0.420 4.740 4.320 -0.000 0.000 0.248 246 A C -1.869 175.757 177.584 0.070 0.000 1.082 246 A CA -0.992 51.082 52.037 0.062 0.000 0.789 246 A CB 0.007 19.051 19.000 0.074 0.000 1.025 246 A HN 0.620 nan 8.150 nan 0.000 0.490 247 P HA -0.182 nan 4.420 nan 0.000 0.216 247 P C 1.116 178.453 177.300 0.062 0.000 1.153 247 P CA 1.668 64.799 63.100 0.051 0.000 0.858 247 P CB 0.200 31.926 31.700 0.042 0.000 0.789 248 E N -1.014 119.248 120.200 0.105 0.000 2.150 248 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 248 E C 2.013 178.704 176.600 0.152 0.000 0.985 248 E CA 0.919 57.404 56.400 0.143 0.000 0.814 248 E CB -0.372 29.510 29.700 0.303 0.000 0.752 248 E HN 0.138 nan 8.360 nan 0.000 0.466 249 A N 1.190 124.122 122.820 0.186 0.000 1.898 249 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 249 A C 2.010 179.646 177.584 0.088 0.000 1.181 249 A CA 0.993 53.142 52.037 0.186 0.000 0.620 249 A CB -0.259 18.838 19.000 0.160 0.000 0.819 249 A HN 0.080 nan 8.150 nan 0.000 0.442 250 R N -1.023 119.515 120.500 0.063 0.000 2.081 250 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 250 R C 2.489 178.793 176.300 0.007 0.000 1.131 250 R CA 1.700 57.826 56.100 0.044 0.000 0.960 250 R CB -0.295 30.027 30.300 0.037 0.000 0.856 250 R HN 0.624 nan 8.270 nan 0.000 0.436 251 Q N 0.776 120.560 119.800 -0.027 0.000 2.050 251 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 251 Q C 1.938 177.849 176.000 -0.149 0.000 0.980 251 Q CA 2.046 57.800 55.803 -0.082 0.000 0.840 251 Q CB -0.254 28.422 28.738 -0.103 0.000 0.898 251 Q HN 0.334 nan 8.270 nan 0.000 0.424 252 A N 0.013 122.700 122.820 -0.222 0.000 1.933 252 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 252 A C 2.116 179.617 177.584 -0.139 0.000 1.175 252 A CA 1.419 53.255 52.037 -0.334 0.000 0.628 252 A CB -0.664 17.994 19.000 -0.569 0.000 0.814 252 A HN 0.486 nan 8.150 nan 0.000 0.444 253 I N -0.706 119.850 120.570 -0.024 0.000 2.353 253 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 253 I C 2.510 178.667 176.117 0.066 0.000 1.119 253 I CA 1.638 62.980 61.300 0.070 0.000 1.417 253 I CB -0.191 37.886 38.000 0.128 0.000 1.078 253 I HN 0.389 nan 8.210 nan 0.000 0.421 254 K N 0.585 120.997 120.400 0.021 0.000 2.025 254 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 254 K C 2.356 178.935 176.600 -0.034 0.000 1.049 254 K CA 1.808 58.102 56.287 0.011 0.000 0.933 254 K CB -0.101 32.395 32.500 -0.007 0.000 0.714 254 K HN 0.100 nan 8.250 nan 0.000 0.438 255 S N 0.694 116.341 115.700 -0.088 0.000 2.356 255 S HA -0.081 4.388 4.470 -0.000 0.000 0.223 255 S C 1.972 176.475 174.600 -0.162 0.000 1.032 255 S CA 1.080 59.204 58.200 -0.126 0.000 1.005 255 S CB -0.257 62.837 63.200 -0.177 0.000 0.867 255 S HN 0.362 nan 8.310 nan 0.000 0.449 256 L N 0.676 121.773 121.223 -0.211 0.000 2.083 256 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 256 L C 2.755 179.320 176.870 -0.508 0.000 1.083 256 L CA 1.497 56.089 54.840 -0.413 0.000 0.752 256 L CB -0.917 40.864 42.059 -0.463 0.000 0.899 256 L HN 0.343 nan 8.230 nan 0.000 0.433 257 T N -1.080 113.379 114.554 -0.159 0.000 2.737 257 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 257 T C 1.802 176.508 174.700 0.010 0.000 1.038 257 T CA 1.057 63.198 62.100 0.068 0.000 1.144 257 T CB -0.049 68.934 68.868 0.190 0.000 0.866 257 T HN 0.274 nan 8.240 nan 0.000 0.434 258 E N 1.158 121.343 120.200 -0.025 0.000 2.106 258 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 258 E C 2.350 178.930 176.600 -0.033 0.000 0.984 258 E CA 0.947 57.337 56.400 -0.017 0.000 0.806 258 E CB -0.104 29.582 29.700 -0.023 0.000 0.750 258 E HN 0.463 nan 8.360 nan 0.000 0.458 259 R N -0.501 119.950 120.500 -0.082 0.000 2.223 259 R HA 0.102 4.442 4.340 -0.000 0.000 0.198 259 R C 1.892 178.132 176.300 -0.101 0.000 0.984 259 R CA 0.316 56.369 56.100 -0.079 0.000 1.018 259 R CB 0.245 30.489 30.300 -0.093 0.000 0.945 259 R HN 0.043 nan 8.270 nan 0.000 0.479 260 L N -2.020 119.099 121.223 -0.175 0.000 2.666 260 L HA 0.189 4.529 4.340 -0.000 0.000 0.184 260 L C 1.356 178.214 176.870 -0.019 0.000 1.092 260 L CA 0.771 55.514 54.840 -0.161 0.000 0.857 260 L CB -0.325 41.557 42.059 -0.295 0.000 1.281 260 L HN -0.137 nan 8.230 nan 0.000 0.489 261 Y N 1.598 121.914 120.300 0.026 0.000 2.145 261 Y HA -0.141 4.408 4.550 -0.000 0.000 0.286 261 Y C 2.592 178.499 175.900 0.011 0.000 1.145 261 Y CA 1.701 59.823 58.100 0.038 0.000 1.148 261 Y CB -1.308 37.200 38.460 0.080 0.000 0.981 261 Y HN 0.388 nan 8.280 nan 0.000 0.507 262 I N -2.510 118.151 120.570 0.152 0.000 2.493 262 I HA 0.258 4.428 4.170 -0.000 0.000 0.254 262 I C 1.121 177.248 176.117 0.017 0.000 1.160 262 I CA 1.251 62.596 61.300 0.075 0.000 1.445 262 I CB -0.452 37.583 38.000 0.059 0.000 1.086 262 I HN 0.144 nan 8.210 nan 0.000 0.433 263 G N -0.593 108.197 108.800 -0.017 0.000 2.320 263 G HA2 0.490 4.450 3.960 -0.000 0.000 0.297 263 G HA3 0.490 4.450 3.960 -0.000 0.000 0.297 263 G C -0.905 173.827 174.900 -0.280 0.000 1.344 263 G CA -0.273 44.741 45.100 -0.143 0.000 0.851 263 G HN 0.745 nan 8.290 nan 0.000 0.567 264 G N -0.878 107.450 108.800 -0.786 0.000 2.321 264 G HA2 0.717 4.677 3.960 -0.000 0.000 0.298 264 G HA3 0.717 4.677 3.960 -0.000 0.000 0.298 264 G C -3.439 170.812 174.900 -1.083 0.000 1.385 264 G CA 0.088 44.686 45.100 -0.836 0.000 0.856 264 G HN 0.782 nan 8.290 nan 0.000 0.584 265 P HA 0.412 nan 4.420 nan 0.000 0.271 265 P C -0.558 176.664 177.300 -0.130 0.000 1.218 265 P CA -0.078 62.935 63.100 -0.144 0.000 0.780 265 P CB 1.185 32.923 31.700 0.064 0.000 0.901 266 L N 2.333 123.526 121.223 -0.050 0.000 2.313 266 L HA 0.458 4.798 4.340 -0.000 0.000 0.283 266 L C 0.433 177.313 176.870 0.016 0.000 1.013 266 L CA -0.251 54.581 54.840 -0.013 0.000 0.816 266 L CB 1.739 43.831 42.059 0.055 0.000 1.236 266 L HN 0.284 nan 8.230 nan 0.000 0.419 267 T N 1.394 115.932 114.554 -0.026 0.000 2.824 267 T HA 0.328 4.678 4.350 -0.000 0.000 0.282 267 T C -0.210 174.468 174.700 -0.037 0.000 0.993 267 T CA -0.842 61.244 62.100 -0.024 0.000 0.967 267 T CB 1.514 70.353 68.868 -0.049 0.000 0.960 267 T HN 0.646 nan 8.240 nan 0.000 0.441 268 N N 0.770 119.465 118.700 -0.009 0.000 2.327 268 N HA 0.104 4.844 4.740 -0.000 0.000 0.257 268 N C 1.424 176.919 175.510 -0.024 0.000 1.281 268 N CA -0.292 52.752 53.050 -0.009 0.000 0.942 268 N CB 0.150 38.642 38.487 0.007 0.000 1.199 268 N HN 0.464 nan 8.380 nan 0.000 0.532 269 S N -1.301 114.394 115.700 -0.007 0.000 2.500 269 S HA -0.093 4.377 4.470 -0.000 0.000 0.239 269 S C 0.921 175.514 174.600 -0.012 0.000 0.989 269 S CA 0.670 58.868 58.200 -0.004 0.000 0.951 269 S CB -0.437 62.777 63.200 0.023 0.000 0.759 269 S HN 0.635 nan 8.310 nan 0.000 0.523 270 K N 0.429 120.822 120.400 -0.011 0.000 2.374 270 K HA 0.293 4.613 4.320 -0.000 0.000 0.196 270 K C 1.187 177.776 176.600 -0.019 0.000 1.023 270 K CA 0.352 56.632 56.287 -0.012 0.000 1.103 270 K CB 0.079 32.577 32.500 -0.004 0.000 0.848 270 K HN 0.517 nan 8.250 nan 0.000 0.528 271 G N 1.712 110.496 108.800 -0.026 0.000 2.157 271 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 271 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 271 G C -0.200 174.692 174.900 -0.013 0.000 0.979 271 G CA -0.117 44.965 45.100 -0.030 0.000 0.650 271 G HN 0.336 nan 8.290 nan 0.000 0.529 272 Q N 0.128 119.927 119.800 -0.002 0.000 2.259 272 Q HA 0.288 4.628 4.340 -0.000 0.000 0.249 272 Q C 0.420 176.435 176.000 0.025 0.000 0.914 272 Q CA -0.482 55.328 55.803 0.013 0.000 0.904 272 Q CB 0.947 29.696 28.738 0.018 0.000 1.213 272 Q HN 0.441 nan 8.270 nan 0.000 0.428 273 N N 1.569 120.291 118.700 0.037 0.000 2.420 273 N HA 0.012 4.752 4.740 -0.000 0.000 0.262 273 N C -0.177 175.386 175.510 0.088 0.000 1.144 273 N CA -0.415 52.669 53.050 0.056 0.000 0.952 273 N CB 0.545 39.067 38.487 0.058 0.000 1.081 273 N HN 0.578 nan 8.380 nan 0.000 0.480 274 C N 2.957 122.328 119.300 0.118 0.000 2.735 274 C HA 0.417 4.877 4.460 -0.000 0.000 0.271 274 C C 1.217 176.388 174.990 0.302 0.000 1.281 274 C CA 0.473 59.614 59.018 0.206 0.000 1.719 274 C CB -1.056 26.824 27.740 0.234 0.000 2.024 274 C HN 0.976 nan 8.230 nan 0.000 0.566 275 G N -1.242 107.665 108.800 0.178 0.000 2.334 275 G HA2 0.264 4.223 3.960 -0.000 0.000 0.249 275 G HA3 0.264 4.223 3.960 -0.000 0.000 0.249 275 G C -2.083 172.863 174.900 0.078 0.000 1.327 275 G CA -0.416 44.746 45.100 0.103 0.000 0.979 275 G HN 0.030 nan 8.290 nan 0.000 0.471 276 Y N 0.709 120.901 120.300 -0.180 0.000 2.492 276 Y HA 0.759 5.309 4.550 -0.000 0.000 0.346 276 Y C 0.032 175.819 175.900 -0.189 0.000 0.997 276 Y CA -0.847 57.168 58.100 -0.142 0.000 1.025 276 Y CB 1.987 40.374 38.460 -0.121 0.000 1.263 276 Y HN 0.715 nan 8.280 nan 0.000 0.454 277 R N 4.701 124.946 120.500 -0.425 0.000 2.407 277 R HA 0.553 4.893 4.340 -0.000 0.000 0.303 277 R C -0.662 175.433 176.300 -0.342 0.000 0.981 277 R CA -0.545 55.318 56.100 -0.396 0.000 0.905 277 R CB 0.923 31.063 30.300 -0.267 0.000 1.099 277 R HN 0.926 nan 8.270 nan 0.000 0.459 278 R N 3.022 123.305 120.500 -0.361 0.000 2.616 278 R HA 0.203 4.543 4.340 -0.000 0.000 0.427 278 R C -0.424 175.731 176.300 -0.242 0.000 1.030 278 R CA -0.286 55.701 56.100 -0.189 0.000 1.133 278 R CB 0.511 30.744 30.300 -0.112 0.000 1.444 278 R HN 0.775 nan 8.270 nan 0.000 0.578 279 C N -1.472 117.629 119.300 -0.332 0.000 3.308 279 C HA 0.633 5.093 4.460 -0.000 0.000 0.360 279 C C -0.077 174.836 174.990 -0.128 0.000 1.695 279 C CA -1.496 57.372 59.018 -0.249 0.000 1.366 279 C CB 1.258 28.777 27.740 -0.368 0.000 2.121 279 C HN 0.336 nan 8.230 nan 0.000 0.442 280 R N 1.223 121.698 120.500 -0.041 0.000 2.538 280 R HA 0.458 4.798 4.340 -0.000 0.000 0.282 280 R C 0.038 176.386 176.300 0.079 0.000 1.009 280 R CA 0.980 57.109 56.100 0.050 0.000 1.063 280 R CB -0.174 30.197 30.300 0.118 0.000 0.945 280 R HN 1.174 nan 8.270 nan 0.000 0.414 281 A N 3.623 126.506 122.820 0.106 0.000 2.366 281 A HA 0.247 4.566 4.320 -0.000 0.000 0.272 281 A C 0.933 178.612 177.584 0.160 0.000 1.135 281 A CA 0.015 52.137 52.037 0.141 0.000 0.804 281 A CB 0.524 19.619 19.000 0.160 0.000 1.064 281 A HN 1.010 nan 8.150 nan 0.000 0.499 282 S N 2.007 117.816 115.700 0.183 0.000 2.489 282 S HA 0.077 4.547 4.470 -0.000 0.000 0.228 282 S C 1.052 175.749 174.600 0.162 0.000 0.995 282 S CA 0.711 59.015 58.200 0.173 0.000 0.934 282 S CB 0.077 63.386 63.200 0.183 0.000 0.771 282 S HN 1.244 nan 8.310 nan 0.000 0.522 283 G N 1.925 110.845 108.800 0.200 0.000 4.644 283 G HA2 0.529 4.488 3.960 -0.000 0.000 0.307 283 G HA3 0.529 4.488 3.960 -0.000 0.000 0.307 283 G C -0.194 174.834 174.900 0.213 0.000 1.331 283 G CA -0.167 45.056 45.100 0.205 0.000 1.059 283 G HN 0.557 nan 8.290 nan 0.000 0.590 284 V N -2.350 117.670 119.914 0.177 0.000 3.046 284 V HA 0.586 4.706 4.120 -0.000 0.000 0.316 284 V C 1.318 177.488 176.094 0.127 0.000 1.104 284 V CA -0.961 61.461 62.300 0.204 0.000 1.006 284 V CB 1.712 33.723 31.823 0.313 0.000 1.058 284 V HN 0.077 nan 8.190 nan 0.000 0.440 285 L N 2.272 123.584 121.223 0.148 0.000 2.131 285 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 285 L C 2.318 179.198 176.870 0.016 0.000 1.092 285 L CA 3.047 57.954 54.840 0.112 0.000 0.759 285 L CB -0.683 41.469 42.059 0.156 0.000 0.903 285 L HN 1.095 nan 8.230 nan 0.000 0.435 286 T N -5.899 108.585 114.554 -0.116 0.000 3.129 286 T HA -0.004 4.346 4.350 -0.000 0.000 0.251 286 T C 1.574 176.203 174.700 -0.118 0.000 1.117 286 T CA 0.728 62.702 62.100 -0.209 0.000 1.034 286 T CB -0.693 67.872 68.868 -0.505 0.000 0.968 286 T HN 0.257 nan 8.240 nan 0.000 0.526 287 T N 1.941 116.463 114.554 -0.053 0.000 2.652 287 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 287 T C 2.210 176.923 174.700 0.022 0.000 1.039 287 T CA 1.789 63.896 62.100 0.011 0.000 1.153 287 T CB -0.626 68.274 68.868 0.053 0.000 0.863 287 T HN 0.543 nan 8.240 nan 0.000 0.428 288 S N -0.282 115.406 115.700 -0.020 0.000 2.345 288 S HA -0.145 4.325 4.470 -0.000 0.000 0.220 288 S C 2.456 177.066 174.600 0.017 0.000 1.031 288 S CA 1.389 59.566 58.200 -0.039 0.000 0.996 288 S CB -0.955 62.109 63.200 -0.226 0.000 0.882 288 S HN 0.668 nan 8.310 nan 0.000 0.445 289 C N 1.330 120.616 119.300 -0.023 0.000 2.413 289 C HA 0.062 4.522 4.460 -0.000 0.000 0.276 289 C C 2.816 177.854 174.990 0.080 0.000 1.236 289 C CA 1.187 60.214 59.018 0.014 0.000 1.735 289 C CB -1.810 25.908 27.740 -0.037 0.000 2.031 289 C HN 0.721 nan 8.230 nan 0.000 0.474 290 G N 0.320 109.175 108.800 0.091 0.000 2.421 290 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.216 290 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.216 290 G C 1.518 176.507 174.900 0.148 0.000 1.171 290 G CA 1.050 46.218 45.100 0.112 0.000 0.775 290 G HN 0.585 nan 8.290 nan 0.000 0.543 291 N N 0.378 119.168 118.700 0.150 0.000 2.166 291 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 291 N C 2.403 177.946 175.510 0.056 0.000 1.019 291 N CA 1.563 54.709 53.050 0.160 0.000 0.856 291 N CB -0.663 37.826 38.487 0.004 0.000 0.993 291 N HN 0.241 nan 8.380 nan 0.000 0.426 292 T N 1.532 116.137 114.554 0.085 0.000 2.737 292 T HA 0.010 4.359 4.350 -0.000 0.000 0.265 292 T C 2.124 176.910 174.700 0.143 0.000 1.038 292 T CA 0.640 62.812 62.100 0.119 0.000 1.144 292 T CB -0.270 68.743 68.868 0.241 0.000 0.866 292 T HN 0.120 nan 8.240 nan 0.000 0.434 293 L N 0.641 121.929 121.223 0.108 0.000 2.017 293 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 293 L C 2.935 179.900 176.870 0.158 0.000 1.073 293 L CA 1.260 56.151 54.840 0.085 0.000 0.745 293 L CB -0.941 41.127 42.059 0.015 0.000 0.894 293 L HN 0.283 nan 8.230 nan 0.000 0.432 294 T N -1.498 113.168 114.554 0.185 0.000 2.821 294 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 294 T C 1.992 176.888 174.700 0.325 0.000 1.046 294 T CA 1.358 63.599 62.100 0.235 0.000 1.139 294 T CB -0.407 68.633 68.868 0.286 0.000 0.871 294 T HN 0.464 nan 8.240 nan 0.000 0.454 295 C N 0.627 120.161 119.300 0.391 0.000 2.446 295 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 295 C C 2.369 177.509 174.990 0.249 0.000 1.275 295 C CA 0.393 59.630 59.018 0.365 0.000 1.727 295 C CB -1.389 26.419 27.740 0.112 0.000 2.010 295 C HN 0.648 nan 8.230 nan 0.000 0.486 296 Y N 1.115 121.473 120.300 0.097 0.000 2.145 296 Y HA -0.127 4.423 4.550 0.000 0.000 0.286 296 Y C 2.188 178.105 175.900 0.028 0.000 1.145 296 Y CA 2.166 60.302 58.100 0.059 0.000 1.148 296 Y CB -0.613 37.867 38.460 0.034 0.000 0.981 296 Y HN 0.342 nan 8.280 nan 0.000 0.507 297 L N 1.075 122.371 121.223 0.122 0.000 1.989 297 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 297 L C 2.123 178.898 176.870 -0.159 0.000 1.071 297 L CA 2.067 56.862 54.840 -0.075 0.000 0.749 297 L CB -0.938 41.047 42.059 -0.125 0.000 0.890 297 L HN 0.156 nan 8.230 nan 0.000 0.431 298 K N -0.417 119.954 120.400 -0.049 0.000 2.057 298 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 298 K C 2.088 178.698 176.600 0.016 0.000 1.049 298 K CA 1.385 57.644 56.287 -0.046 0.000 0.931 298 K CB -0.453 32.113 32.500 0.110 0.000 0.714 298 K HN 0.508 nan 8.250 nan 0.000 0.440 299 A N 1.168 124.002 122.820 0.024 0.000 1.898 299 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 299 A C 2.243 179.855 177.584 0.046 0.000 1.181 299 A CA 1.792 53.873 52.037 0.074 0.000 0.620 299 A CB -0.535 18.558 19.000 0.155 0.000 0.819 299 A HN 0.172 nan 8.150 nan 0.000 0.442 300 S N -0.014 115.589 115.700 -0.162 0.000 2.368 300 S HA -0.069 4.401 4.470 -0.000 0.000 0.225 300 S C 2.300 176.853 174.600 -0.079 0.000 1.030 300 S CA 1.248 59.320 58.200 -0.214 0.000 0.999 300 S CB -0.477 62.444 63.200 -0.465 0.000 0.844 300 S HN 0.798 nan 8.310 nan 0.000 0.459 301 A N 1.501 124.291 122.820 -0.049 0.000 1.902 301 A HA 0.141 4.461 4.320 -0.000 0.000 0.217 301 A C 2.347 180.002 177.584 0.118 0.000 1.181 301 A CA 1.647 53.721 52.037 0.061 0.000 0.623 301 A CB -1.028 18.017 19.000 0.075 0.000 0.818 301 A HN 0.514 nan 8.150 nan 0.000 0.443 302 A N -1.072 121.831 122.820 0.139 0.000 1.930 302 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 302 A C 2.271 179.921 177.584 0.110 0.000 1.175 302 A CA 1.586 53.601 52.037 -0.037 0.000 0.627 302 A CB -1.232 17.412 19.000 -0.593 0.000 0.815 302 A HN 0.587 nan 8.150 nan 0.000 0.443 303 C N -0.770 118.674 119.300 0.240 0.000 2.429 303 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 303 C C 2.895 177.905 174.990 0.035 0.000 1.262 303 C CA 1.159 60.315 59.018 0.230 0.000 1.733 303 C CB -1.286 26.537 27.740 0.138 0.000 2.010 303 C HN 0.609 nan 8.230 nan 0.000 0.483 304 R N 1.046 121.482 120.500 -0.106 0.000 2.075 304 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 304 R C 2.402 178.466 176.300 -0.393 0.000 1.126 304 R CA 1.542 57.458 56.100 -0.306 0.000 0.963 304 R CB -0.536 29.442 30.300 -0.538 0.000 0.858 304 R HN 0.537 nan 8.270 nan 0.000 0.435 305 A N 1.460 124.077 122.820 -0.339 0.000 1.902 305 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 305 A C 2.277 179.846 177.584 -0.025 0.000 1.181 305 A CA 1.638 53.603 52.037 -0.120 0.000 0.623 305 A CB -0.487 18.504 19.000 -0.015 0.000 0.818 305 A HN 0.382 nan 8.150 nan 0.000 0.443 306 A N -1.258 121.571 122.820 0.014 0.000 2.206 306 A HA 0.201 4.521 4.320 -0.000 0.000 0.211 306 A C 1.018 178.620 177.584 0.030 0.000 1.158 306 A CA 0.899 52.968 52.037 0.054 0.000 0.761 306 A CB -0.481 18.613 19.000 0.155 0.000 0.801 306 A HN 0.516 nan 8.150 nan 0.000 0.473 307 K N -1.558 118.845 120.400 0.004 0.000 3.071 307 K HA -0.166 4.154 4.320 -0.000 0.000 0.265 307 K C -0.954 175.652 176.600 0.009 0.000 1.060 307 K CA 0.219 56.506 56.287 0.000 0.000 0.767 307 K CB -1.897 30.609 32.500 0.009 0.000 1.241 307 K HN 0.335 nan 8.250 nan 0.000 0.486 308 L N 1.713 122.948 121.223 0.021 0.000 2.456 308 L HA 0.019 4.358 4.340 -0.000 0.000 0.272 308 L C 0.979 177.852 176.870 0.006 0.000 1.189 308 L CA 0.840 55.692 54.840 0.021 0.000 0.846 308 L CB 0.576 42.662 42.059 0.045 0.000 1.111 308 L HN 0.078 nan 8.230 nan 0.000 0.475 309 Q N 2.267 122.066 119.800 -0.002 0.000 2.279 309 Q HA 0.104 4.444 4.340 -0.000 0.000 0.256 309 Q C -0.156 175.831 176.000 -0.022 0.000 0.937 309 Q CA -0.407 55.389 55.803 -0.012 0.000 0.933 309 Q CB 0.720 29.448 28.738 -0.016 0.000 1.189 309 Q HN 0.547 nan 8.270 nan 0.000 0.417 310 D N 0.978 121.366 120.400 -0.020 0.000 2.802 310 D HA -0.192 4.448 4.640 -0.000 0.000 0.229 310 D C -1.109 175.171 176.300 -0.032 0.000 1.203 310 D CA 0.272 54.257 54.000 -0.025 0.000 0.712 310 D CB -0.768 40.009 40.800 -0.038 0.000 0.973 310 D HN 0.499 nan 8.370 nan 0.000 0.407 311 C N 1.360 120.649 119.300 -0.019 0.000 2.601 311 C HA 0.581 5.041 4.460 -0.000 0.000 0.409 311 C C 0.842 175.825 174.990 -0.013 0.000 1.293 311 C CA -0.180 58.824 59.018 -0.024 0.000 2.101 311 C CB 0.890 28.622 27.740 -0.014 0.000 2.639 311 C HN 0.527 nan 8.230 nan 0.000 0.592 312 T N 5.381 119.919 114.554 -0.026 0.000 2.881 312 T HA 0.478 4.828 4.350 -0.000 0.000 0.291 312 T C -0.412 174.303 174.700 0.025 0.000 0.990 312 T CA -0.254 61.859 62.100 0.022 0.000 0.976 312 T CB 0.834 69.684 68.868 -0.030 0.000 0.970 312 T HN 0.534 nan 8.240 nan 0.000 0.438 313 M N 3.074 122.736 119.600 0.103 0.000 2.537 313 M HA 0.664 5.144 4.480 -0.000 0.000 0.324 313 M C -1.244 175.182 176.300 0.208 0.000 1.187 313 M CA -1.190 54.162 55.300 0.087 0.000 0.993 313 M CB 1.937 34.573 32.600 0.060 0.000 1.666 313 M HN 0.311 nan 8.290 nan 0.000 0.461 314 L N 2.447 123.754 121.223 0.140 0.000 2.404 314 L HA 0.657 4.997 4.340 -0.000 0.000 0.272 314 L C -1.517 175.373 176.870 0.032 0.000 0.980 314 L CA -0.492 54.438 54.840 0.150 0.000 0.836 314 L CB 1.833 44.005 42.059 0.189 0.000 1.238 314 L HN 0.492 nan 8.230 nan 0.000 0.408 315 V N 4.246 124.157 119.914 -0.004 0.000 2.588 315 V HA 0.588 4.708 4.120 -0.000 0.000 0.304 315 V C -0.739 175.187 176.094 -0.280 0.000 1.042 315 V CA -0.641 61.625 62.300 -0.057 0.000 0.877 315 V CB 1.996 33.879 31.823 0.101 0.000 0.996 315 V HN 0.784 nan 8.190 nan 0.000 0.425 316 N N 3.547 122.027 118.700 -0.366 0.000 2.617 316 N HA 0.617 5.356 4.740 -0.000 0.000 0.263 316 N C 0.575 175.945 175.510 -0.232 0.000 1.074 316 N CA 0.561 53.167 53.050 -0.740 0.000 0.841 316 N CB 1.709 39.616 38.487 -0.967 0.000 1.221 316 N HN 1.082 nan 8.380 nan 0.000 0.529 317 G N 2.396 111.215 108.800 0.030 0.000 2.596 317 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.304 317 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.304 317 G C 0.553 175.294 174.900 -0.265 0.000 1.189 317 G CA 0.772 45.875 45.100 0.004 0.000 0.986 317 G HN 0.615 nan 8.290 nan 0.000 0.548 318 D N 1.231 121.398 120.400 -0.389 0.000 2.340 318 D HA 0.091 4.731 4.640 -0.000 0.000 0.220 318 D C 0.444 176.626 176.300 -0.196 0.000 1.039 318 D CA 0.852 54.468 54.000 -0.640 0.000 0.866 318 D CB -0.126 40.309 40.800 -0.608 0.000 0.913 318 D HN 0.411 nan 8.370 nan 0.000 0.523 319 D N 0.720 121.051 120.400 -0.115 0.000 2.295 319 D HA 0.282 4.922 4.640 -0.000 0.000 0.248 319 D C -0.938 175.341 176.300 -0.035 0.000 1.154 319 D CA -0.507 53.466 54.000 -0.045 0.000 0.857 319 D CB 1.035 41.799 40.800 -0.059 0.000 1.117 319 D HN 0.072 nan 8.370 nan 0.000 0.468 320 L N 4.934 126.178 121.223 0.036 0.000 2.410 320 L HA 0.554 4.894 4.340 -0.000 0.000 0.270 320 L C -1.795 175.065 176.870 -0.016 0.000 0.983 320 L CA -0.676 54.189 54.840 0.043 0.000 0.822 320 L CB 1.987 44.138 42.059 0.154 0.000 1.285 320 L HN 0.153 nan 8.230 nan 0.000 0.409 321 V N 5.743 125.601 119.914 -0.092 0.000 2.709 321 V HA 0.777 4.896 4.120 -0.000 0.000 0.308 321 V C -1.369 174.549 176.094 -0.294 0.000 1.062 321 V CA -0.359 61.822 62.300 -0.200 0.000 0.901 321 V CB 2.423 34.173 31.823 -0.122 0.000 1.003 321 V HN 0.607 nan 8.190 nan 0.000 0.425 322 V N 7.501 127.058 119.914 -0.594 0.000 2.604 322 V HA 0.597 4.717 4.120 -0.000 0.000 0.305 322 V C -0.434 175.420 176.094 -0.400 0.000 1.043 322 V CA -0.487 61.469 62.300 -0.572 0.000 0.888 322 V CB 1.896 33.144 31.823 -0.958 0.000 0.995 322 V HN 0.730 nan 8.190 nan 0.000 0.429 323 I N 4.905 125.360 120.570 -0.191 0.000 2.418 323 I HA 0.667 4.837 4.170 -0.000 0.000 0.287 323 I C -0.058 175.993 176.117 -0.110 0.000 1.008 323 I CA -0.306 60.937 61.300 -0.096 0.000 1.104 323 I CB 1.607 39.584 38.000 -0.038 0.000 1.264 323 I HN 0.898 nan 8.210 nan 0.000 0.438 324 C N 2.654 121.894 119.300 -0.100 0.000 3.321 324 C HA 0.581 5.041 4.460 -0.000 0.000 0.363 324 C C -0.536 174.385 174.990 -0.116 0.000 1.705 324 C CA -0.873 58.094 59.018 -0.085 0.000 1.298 324 C CB 1.830 29.558 27.740 -0.020 0.000 2.086 324 C HN 0.598 nan 8.230 nan 0.000 0.438 325 E N 1.875 122.026 120.200 -0.082 0.000 2.259 325 E HA 0.319 4.669 4.350 -0.000 0.000 0.281 325 E C 0.030 176.606 176.600 -0.040 0.000 1.037 325 E CA 0.509 56.859 56.400 -0.083 0.000 0.854 325 E CB 1.659 31.322 29.700 -0.063 0.000 1.051 325 E HN 0.711 nan 8.360 nan 0.000 0.409 326 S N 1.829 117.512 115.700 -0.028 0.000 2.580 326 S HA 0.348 4.817 4.470 -0.000 0.000 0.274 326 S C 0.357 174.965 174.600 0.014 0.000 1.329 326 S CA 0.025 58.251 58.200 0.043 0.000 1.036 326 S CB 0.668 63.944 63.200 0.126 0.000 0.919 326 S HN 0.497 nan 8.310 nan 0.000 0.515 327 A N 3.132 125.968 122.820 0.026 0.000 2.594 327 A HA 0.662 4.982 4.320 -0.000 0.000 0.287 327 A C 0.809 178.391 177.584 -0.002 0.000 1.227 327 A CA 0.138 52.177 52.037 0.003 0.000 0.952 327 A CB -0.849 18.153 19.000 0.003 0.000 1.161 327 A HN 1.924 nan 8.150 nan 0.000 0.524 328 G N -1.320 107.476 108.800 -0.008 0.000 2.712 328 G HA2 0.082 4.041 3.960 -0.000 0.000 0.686 328 G HA3 0.082 4.041 3.960 -0.000 0.000 0.686 328 G C 0.699 175.597 174.900 -0.003 0.000 1.181 328 G CA -0.137 44.938 45.100 -0.043 0.000 0.762 328 G HN 1.445 nan 8.290 nan 0.000 0.641 329 V N -1.396 118.488 119.914 -0.049 0.000 2.252 329 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 329 V C 2.530 178.661 176.094 0.061 0.000 1.056 329 V CA 2.746 65.073 62.300 0.045 0.000 1.022 329 V CB -0.815 31.001 31.823 -0.011 0.000 0.641 329 V HN 0.804 nan 8.190 nan 0.000 0.445 330 Q N 0.243 120.055 119.800 0.020 0.000 2.084 330 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 330 Q C 2.273 178.281 176.000 0.013 0.000 0.978 330 Q CA 2.240 58.052 55.803 0.015 0.000 0.844 330 Q CB -0.529 28.211 28.738 0.003 0.000 0.898 330 Q HN 0.846 nan 8.270 nan 0.000 0.426 331 E N 1.122 121.329 120.200 0.011 0.000 2.106 331 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 331 E C 1.300 177.904 176.600 0.006 0.000 0.984 331 E CA 1.128 57.532 56.400 0.006 0.000 0.806 331 E CB -0.051 29.651 29.700 0.004 0.000 0.750 331 E HN 0.209 nan 8.360 nan 0.000 0.458 332 D N -0.020 120.397 120.400 0.028 0.000 2.117 332 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 332 D C 1.763 178.043 176.300 -0.034 0.000 0.987 332 D CA 1.543 55.551 54.000 0.014 0.000 0.829 332 D CB -0.487 40.371 40.800 0.096 0.000 0.961 332 D HN 0.313 nan 8.370 nan 0.000 0.460 333 A N 1.061 123.879 122.820 -0.005 0.000 1.908 333 A HA -0.089 4.230 4.320 -0.000 0.000 0.218 333 A C 2.321 179.884 177.584 -0.034 0.000 1.181 333 A CA 2.347 54.370 52.037 -0.024 0.000 0.627 333 A CB -0.705 18.297 19.000 0.004 0.000 0.818 333 A HN 0.248 nan 8.150 nan 0.000 0.445 334 A N -0.602 122.206 122.820 -0.020 0.000 1.873 334 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 334 A C 2.447 180.017 177.584 -0.024 0.000 1.186 334 A CA 2.007 54.034 52.037 -0.016 0.000 0.616 334 A CB -0.931 18.064 19.000 -0.008 0.000 0.823 334 A HN 0.458 nan 8.150 nan 0.000 0.442 335 S N 0.259 115.938 115.700 -0.034 0.000 2.365 335 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 335 S C 1.815 176.380 174.600 -0.058 0.000 1.039 335 S CA 1.617 59.795 58.200 -0.038 0.000 1.033 335 S CB -0.549 62.620 63.200 -0.051 0.000 0.887 335 S HN 0.512 nan 8.310 nan 0.000 0.447 336 L N 0.896 122.026 121.223 -0.156 0.000 2.131 336 L HA -0.109 4.230 4.340 -0.000 0.000 0.210 336 L C 2.682 179.543 176.870 -0.015 0.000 1.092 336 L CA 1.237 55.941 54.840 -0.227 0.000 0.759 336 L CB -0.632 41.199 42.059 -0.381 0.000 0.903 336 L HN 0.286 nan 8.230 nan 0.000 0.435 337 R N -0.363 120.129 120.500 -0.012 0.000 2.092 337 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 337 R C 2.271 178.585 176.300 0.023 0.000 1.119 337 R CA 1.038 57.148 56.100 0.017 0.000 0.970 337 R CB -0.341 29.959 30.300 0.000 0.000 0.864 337 R HN 0.207 nan 8.270 nan 0.000 0.440 338 V N 0.718 120.643 119.914 0.019 0.000 2.427 338 V HA -0.220 3.899 4.120 -0.000 0.000 0.248 338 V C 1.911 178.009 176.094 0.008 0.000 1.051 338 V CA 1.508 63.812 62.300 0.005 0.000 1.048 338 V CB -0.546 31.283 31.823 0.010 0.000 0.666 338 V HN 0.197 nan 8.190 nan 0.000 0.456 339 F N 1.575 121.470 119.950 -0.093 0.000 2.095 339 F HA -0.227 4.299 4.527 -0.001 0.000 0.298 339 F C 2.427 178.161 175.800 -0.112 0.000 1.104 339 F CA 2.346 60.285 58.000 -0.102 0.000 1.232 339 F CB -0.563 38.364 39.000 -0.122 0.000 0.987 339 F HN 0.107 nan 8.300 nan 0.000 0.475 340 T N 0.195 114.785 114.554 0.060 0.000 2.788 340 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 340 T C 1.705 176.364 174.700 -0.067 0.000 1.044 340 T CA 1.737 63.877 62.100 0.068 0.000 1.139 340 T CB -0.333 68.672 68.868 0.228 0.000 0.867 340 T HN 0.417 nan 8.240 nan 0.000 0.454 341 E N 1.116 121.264 120.200 -0.085 0.000 2.077 341 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 341 E C 2.589 179.048 176.600 -0.236 0.000 0.989 341 E CA 0.968 57.296 56.400 -0.119 0.000 0.800 341 E CB -0.212 29.435 29.700 -0.089 0.000 0.746 341 E HN 0.484 nan 8.360 nan 0.000 0.452 342 A N 1.428 124.052 122.820 -0.328 0.000 1.877 342 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 342 A C 2.184 179.341 177.584 -0.711 0.000 1.186 342 A CA 1.238 52.943 52.037 -0.554 0.000 0.620 342 A CB -0.317 18.402 19.000 -0.468 0.000 0.822 342 A HN 0.104 nan 8.150 nan 0.000 0.443 343 M N -0.229 119.061 119.600 -0.515 0.000 2.108 343 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 343 M C 2.203 178.430 176.300 -0.122 0.000 1.066 343 M CA 2.085 57.210 55.300 -0.292 0.000 1.107 343 M CB -1.971 30.365 32.600 -0.441 0.000 1.356 343 M HN 0.456 nan 8.290 nan 0.000 0.406 344 T N 0.038 114.515 114.554 -0.127 0.000 2.746 344 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 344 T C 1.971 176.609 174.700 -0.103 0.000 1.039 344 T CA 1.139 63.199 62.100 -0.066 0.000 1.142 344 T CB -0.200 68.635 68.868 -0.056 0.000 0.866 344 T HN 0.372 nan 8.240 nan 0.000 0.444 345 R N -0.105 120.267 120.500 -0.215 0.000 2.152 345 R HA -0.055 4.284 4.340 -0.000 0.000 0.232 345 R C 1.664 177.896 176.300 -0.114 0.000 1.117 345 R CA 1.050 57.023 56.100 -0.211 0.000 0.981 345 R CB -0.228 29.874 30.300 -0.329 0.000 0.870 345 R HN 0.444 nan 8.270 nan 0.000 0.451 346 Y N -0.191 120.055 120.300 -0.091 0.000 2.529 346 Y HA 0.092 4.642 4.550 0.001 0.000 0.290 346 Y C 0.857 176.711 175.900 -0.076 0.000 1.177 346 Y CA -0.242 57.798 58.100 -0.101 0.000 1.305 346 Y CB 0.004 38.429 38.460 -0.057 0.000 1.047 346 Y HN -0.053 nan 8.280 nan 0.000 0.522 347 S N -0.198 115.547 115.700 0.075 0.000 4.044 347 S HA -0.043 4.426 4.470 -0.000 0.000 0.371 347 S C -0.169 174.451 174.600 0.033 0.000 0.977 347 S CA 0.431 58.656 58.200 0.042 0.000 1.092 347 S CB -1.457 61.760 63.200 0.028 0.000 0.845 347 S HN 0.764 nan 8.310 nan 0.000 0.496 348 A N 1.339 124.195 122.820 0.061 0.000 3.448 348 A HA 0.614 4.933 4.320 -0.000 0.000 0.232 348 A C -2.643 175.056 177.584 0.193 0.000 1.018 348 A CA -0.775 51.328 52.037 0.111 0.000 0.996 348 A CB 0.643 19.744 19.000 0.169 0.000 1.283 348 A HN 0.416 nan 8.150 nan 0.000 0.586 349 P HA 0.244 nan 4.420 nan 0.000 0.270 349 P C -2.612 174.735 177.300 0.078 0.000 1.223 349 P CA -0.663 62.479 63.100 0.070 0.000 0.785 349 P CB 0.495 32.162 31.700 -0.054 0.000 0.923 350 P HA 0.172 nan 4.420 nan 0.000 0.283 350 P C 0.155 177.386 177.300 -0.115 0.000 1.271 350 P CA -0.253 62.739 63.100 -0.179 0.000 0.841 350 P CB 1.584 33.117 31.700 -0.280 0.000 1.122 351 G N 0.770 109.494 108.800 -0.126 0.000 2.670 351 G HA2 0.031 3.991 3.960 -0.000 0.000 0.219 351 G HA3 0.031 3.991 3.960 -0.000 0.000 0.219 351 G C -0.081 174.777 174.900 -0.070 0.000 1.342 351 G CA 0.130 45.188 45.100 -0.070 0.000 0.902 351 G HN 0.462 nan 8.290 nan 0.000 0.553 352 D N 2.496 122.852 120.400 -0.073 0.000 2.312 352 D HA 0.276 4.915 4.640 -0.000 0.000 0.252 352 D C -2.059 174.201 176.300 -0.066 0.000 1.150 352 D CA -0.864 53.105 54.000 -0.053 0.000 0.870 352 D CB 1.583 42.361 40.800 -0.036 0.000 1.153 352 D HN 0.104 nan 8.370 nan 0.000 0.457 353 P HA 0.115 nan 4.420 nan 0.000 0.268 353 P C -2.439 174.869 177.300 0.014 0.000 1.205 353 P CA -1.002 62.094 63.100 -0.006 0.000 0.771 353 P CB -0.030 31.674 31.700 0.007 0.000 0.858 354 P HA 0.130 nan 4.420 nan 0.000 0.275 354 P C -0.816 176.491 177.300 0.012 0.000 1.227 354 P CA 0.052 63.213 63.100 0.101 0.000 0.781 354 P CB 0.730 32.580 31.700 0.251 0.000 0.906 355 Q N 2.343 122.158 119.800 0.026 0.000 2.356 355 Q HA 0.641 4.981 4.340 -0.000 0.000 0.270 355 Q C -2.916 173.071 176.000 -0.023 0.000 1.058 355 Q CA -2.588 53.207 55.803 -0.014 0.000 0.802 355 Q CB 1.536 30.277 28.738 0.005 0.000 1.303 355 Q HN 0.204 nan 8.270 nan 0.000 0.444 356 P HA 0.082 nan 4.420 nan 0.000 0.271 356 P C -0.951 176.160 177.300 -0.315 0.000 1.216 356 P CA 0.117 63.102 63.100 -0.193 0.000 0.771 356 P CB 0.641 32.229 31.700 -0.187 0.000 0.864 357 E N 2.028 122.004 120.200 -0.374 0.000 2.222 357 E HA 0.223 4.573 4.350 -0.000 0.000 0.267 357 E C -0.581 175.791 176.600 -0.380 0.000 0.884 357 E CA -0.378 55.849 56.400 -0.288 0.000 0.764 357 E CB 1.496 31.151 29.700 -0.076 0.000 1.169 357 E HN 0.435 nan 8.360 nan 0.000 0.413 358 Y N -0.181 120.259 120.300 0.233 0.000 2.557 358 Y HA 0.179 4.729 4.550 -0.001 0.000 0.247 358 Y C 0.249 176.381 175.900 0.387 0.000 1.164 358 Y CA -0.408 57.895 58.100 0.338 0.000 1.218 358 Y CB 0.999 39.563 38.460 0.173 0.000 1.210 358 Y HN 0.243 nan 8.280 nan 0.000 0.529 359 D N 0.609 121.140 120.400 0.219 0.000 2.469 359 D HA 0.108 4.748 4.640 -0.000 0.000 0.251 359 D C 0.826 176.895 176.300 -0.386 0.000 1.173 359 D CA -0.264 53.732 54.000 -0.006 0.000 0.882 359 D CB 1.635 42.443 40.800 0.014 0.000 1.129 359 D HN 0.134 nan 8.370 nan 0.000 0.549 360 L N 4.509 125.161 121.223 -0.951 0.000 2.051 360 L HA -0.164 4.176 4.340 -0.000 0.000 0.214 360 L C 1.610 178.139 176.870 -0.568 0.000 1.076 360 L CA 2.050 56.166 54.840 -1.207 0.000 0.758 360 L CB -0.323 40.812 42.059 -1.540 0.000 0.890 360 L HN 0.503 nan 8.230 nan 0.000 0.433 361 E N -0.865 119.110 120.200 -0.375 0.000 2.338 361 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 361 E C 1.952 178.453 176.600 -0.164 0.000 1.007 361 E CA 0.809 57.076 56.400 -0.222 0.000 0.849 361 E CB -0.163 29.455 29.700 -0.136 0.000 0.774 361 E HN 0.558 nan 8.360 nan 0.000 0.506 362 L N 0.726 121.851 121.223 -0.163 0.000 2.592 362 L HA 0.184 4.524 4.340 -0.000 0.000 0.227 362 L C 0.710 177.519 176.870 -0.101 0.000 1.127 362 L CA -0.097 54.682 54.840 -0.100 0.000 0.884 362 L CB 0.182 42.205 42.059 -0.060 0.000 1.065 362 L HN 0.036 nan 8.230 nan 0.000 0.457 363 I N 0.106 120.586 120.570 -0.150 0.000 2.342 363 I HA 0.128 4.297 4.170 -0.000 0.000 0.291 363 I C -0.014 176.047 176.117 -0.094 0.000 1.010 363 I CA 0.127 61.356 61.300 -0.117 0.000 1.308 363 I CB 1.475 39.384 38.000 -0.152 0.000 1.400 363 I HN -0.097 nan 8.210 nan 0.000 0.488 364 T N 4.926 119.447 114.554 -0.055 0.000 2.770 364 T HA 0.469 4.819 4.350 -0.000 0.000 0.283 364 T C -0.358 174.328 174.700 -0.023 0.000 0.988 364 T CA -0.620 61.459 62.100 -0.035 0.000 0.957 364 T CB 1.062 69.918 68.868 -0.020 0.000 0.930 364 T HN 0.732 nan 8.240 nan 0.000 0.443 365 S N 0.818 116.507 115.700 -0.018 0.000 2.548 365 S HA 0.437 4.907 4.470 -0.000 0.000 0.276 365 S C 0.084 174.688 174.600 0.007 0.000 1.129 365 S CA -0.807 57.383 58.200 -0.016 0.000 0.931 365 S CB 0.620 63.796 63.200 -0.041 0.000 1.068 365 S HN 0.910 nan 8.310 nan 0.000 0.480 366 C N 2.076 121.383 119.300 0.011 0.000 4.350 366 C HA -0.171 4.289 4.460 -0.000 0.000 0.302 366 C C 1.366 176.415 174.990 0.098 0.000 1.390 366 C CA 0.721 59.765 59.018 0.044 0.000 2.016 366 C CB -3.251 24.504 27.740 0.025 0.000 1.271 366 C HN 1.670 nan 8.230 nan 0.000 0.760 367 S N -1.476 114.270 115.700 0.076 0.000 3.358 367 S HA -0.203 4.267 4.470 -0.000 0.000 0.309 367 S C 0.320 174.976 174.600 0.093 0.000 1.247 367 S CA 1.302 59.550 58.200 0.081 0.000 0.961 367 S CB -0.812 62.454 63.200 0.110 0.000 1.074 367 S HN 1.046 nan 8.310 nan 0.000 0.625 368 S N 1.526 117.282 115.700 0.093 0.000 2.667 368 S HA 0.785 5.255 4.470 -0.000 0.000 0.292 368 S C -0.456 174.160 174.600 0.028 0.000 1.126 368 S CA -0.949 57.317 58.200 0.110 0.000 0.881 368 S CB 1.850 65.190 63.200 0.232 0.000 1.132 368 S HN 0.588 nan 8.310 nan 0.000 0.492 369 N N -0.791 117.911 118.700 0.002 0.000 2.396 369 N HA 0.419 5.159 4.740 -0.000 0.000 0.275 369 N C -1.579 173.858 175.510 -0.122 0.000 1.218 369 N CA -0.579 52.427 53.050 -0.073 0.000 0.812 369 N CB 1.161 39.596 38.487 -0.087 0.000 1.592 369 N HN 0.338 nan 8.380 nan 0.000 0.480 370 V N 0.588 120.397 119.914 -0.174 0.000 2.686 370 V HA 0.403 4.523 4.120 -0.000 0.000 0.295 370 V C 0.527 176.479 176.094 -0.236 0.000 1.055 370 V CA 0.094 62.266 62.300 -0.214 0.000 1.050 370 V CB 0.922 32.603 31.823 -0.236 0.000 0.984 370 V HN 0.861 nan 8.190 nan 0.000 0.482 371 S N 2.818 118.301 115.700 -0.362 0.000 2.720 371 S HA 0.804 5.274 4.470 -0.000 0.000 0.287 371 S C -1.337 173.141 174.600 -0.202 0.000 1.168 371 S CA -0.433 57.583 58.200 -0.308 0.000 0.832 371 S CB 2.052 65.014 63.200 -0.397 0.000 1.166 371 S HN 0.729 nan 8.310 nan 0.000 0.493 372 V N 0.945 120.838 119.914 -0.035 0.000 2.789 372 V HA 0.982 5.102 4.120 -0.000 0.000 0.311 372 V C -0.349 175.679 176.094 -0.110 0.000 1.073 372 V CA 0.314 62.555 62.300 -0.098 0.000 0.921 372 V CB 1.181 32.802 31.823 -0.336 0.000 1.009 372 V HN 1.344 nan 8.190 nan 0.000 0.426 373 A N 4.756 127.356 122.820 -0.366 0.000 2.566 373 A HA 0.919 5.239 4.320 -0.000 0.000 0.291 373 A C -1.314 175.702 177.584 -0.948 0.000 1.278 373 A CA -0.597 51.012 52.037 -0.713 0.000 0.711 373 A CB 1.746 20.137 19.000 -1.014 0.000 1.332 373 A HN 0.951 nan 8.150 nan 0.000 0.478 374 H N 0.312 119.007 119.070 -0.625 0.000 2.717 374 H HA 0.422 4.977 4.556 -0.000 0.000 0.366 374 H C -1.202 173.756 175.328 -0.617 0.000 1.132 374 H CA -0.337 55.353 56.048 -0.596 0.000 1.180 374 H CB 1.813 31.177 29.762 -0.664 0.000 1.678 374 H HN 0.903 nan 8.280 nan 0.000 0.537 375 D N 0.530 120.821 120.400 -0.181 0.000 2.478 375 D HA 0.274 4.913 4.640 -0.000 0.000 0.269 375 D C 1.377 177.757 176.300 0.133 0.000 1.232 375 D CA -0.401 53.568 54.000 -0.052 0.000 1.059 375 D CB 0.428 41.210 40.800 -0.030 0.000 1.104 375 D HN 0.422 nan 8.370 nan 0.000 0.566 376 A N -0.214 122.690 122.820 0.141 0.000 1.917 376 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 376 A C 2.099 179.755 177.584 0.120 0.000 1.182 376 A CA 2.074 54.198 52.037 0.145 0.000 0.633 376 A CB -1.146 17.904 19.000 0.083 0.000 0.819 376 A HN 0.476 nan 8.150 nan 0.000 0.448 377 S N -1.877 113.873 115.700 0.084 0.000 2.555 377 S HA 0.297 4.767 4.470 -0.000 0.000 0.230 377 S C 1.531 176.169 174.600 0.064 0.000 0.978 377 S CA 1.094 59.329 58.200 0.058 0.000 0.934 377 S CB -0.086 63.137 63.200 0.037 0.000 0.766 377 S HN 1.688 nan 8.310 nan 0.000 0.533 378 G N 1.640 110.504 108.800 0.107 0.000 2.175 378 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 378 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 378 G C 0.106 175.043 174.900 0.062 0.000 0.982 378 G CA 0.244 45.387 45.100 0.072 0.000 0.641 378 G HN 0.531 nan 8.290 nan 0.000 0.527 379 K N 0.938 121.374 120.400 0.060 0.000 2.355 379 K HA 0.421 4.740 4.320 -0.000 0.000 0.270 379 K C 0.727 177.355 176.600 0.047 0.000 1.003 379 K CA -0.566 55.749 56.287 0.047 0.000 0.957 379 K CB 0.287 32.793 32.500 0.010 0.000 0.939 379 K HN 0.300 nan 8.250 nan 0.000 0.482 380 R N 1.860 122.357 120.500 -0.005 0.000 2.491 380 R HA 0.179 4.519 4.340 -0.000 0.000 0.283 380 R C -0.865 175.241 176.300 -0.322 0.000 1.072 380 R CA -0.365 55.590 56.100 -0.242 0.000 1.048 380 R CB 0.955 31.098 30.300 -0.262 0.000 0.983 380 R HN 0.280 nan 8.270 nan 0.000 0.450 381 V N 4.730 124.386 119.914 -0.430 0.000 2.525 381 V HA 0.225 4.344 4.120 -0.000 0.000 0.299 381 V C -1.026 174.912 176.094 -0.260 0.000 1.034 381 V CA -0.899 61.228 62.300 -0.287 0.000 0.863 381 V CB 1.293 32.997 31.823 -0.198 0.000 0.999 381 V HN 0.587 nan 8.190 nan 0.000 0.423 382 Y N 5.610 125.902 120.300 -0.015 0.000 2.319 382 Y HA 0.600 5.149 4.550 -0.001 0.000 0.328 382 Y C 0.109 176.061 175.900 0.085 0.000 1.133 382 Y CA -0.169 57.926 58.100 -0.008 0.000 1.265 382 Y CB 0.911 39.331 38.460 -0.067 0.000 1.218 382 Y HN 0.729 nan 8.280 nan 0.000 0.508 383 Y N 0.611 120.956 120.300 0.075 0.000 2.689 383 Y HA 0.728 5.278 4.550 0.000 0.000 0.333 383 Y C -2.242 173.702 175.900 0.074 0.000 1.190 383 Y CA -2.107 56.020 58.100 0.044 0.000 1.063 383 Y CB 0.731 39.185 38.460 -0.011 0.000 1.294 383 Y HN 0.420 nan 8.280 nan 0.000 0.466 384 L N 1.741 123.001 121.223 0.062 0.000 2.309 384 L HA 0.786 5.125 4.340 -0.000 0.000 0.282 384 L C -0.054 176.952 176.870 0.226 0.000 1.036 384 L CA 0.259 55.122 54.840 0.039 0.000 0.806 384 L CB 1.644 43.778 42.059 0.124 0.000 1.220 384 L HN 1.055 nan 8.230 nan 0.000 0.429 385 T N 4.004 118.641 114.554 0.137 0.000 2.654 385 T HA 0.864 5.213 4.350 -0.000 0.000 0.289 385 T C -1.336 173.443 174.700 0.131 0.000 1.062 385 T CA -0.542 61.709 62.100 0.250 0.000 1.041 385 T CB 1.162 70.168 68.868 0.230 0.000 1.417 385 T HN 0.855 nan 8.240 nan 0.000 0.510 386 R N 0.394 120.921 120.500 0.045 0.000 2.741 386 R HA 0.433 4.772 4.340 -0.000 0.000 0.276 386 R C -1.662 174.469 176.300 -0.283 0.000 1.028 386 R CA -0.984 55.045 56.100 -0.118 0.000 0.865 386 R CB 0.317 30.504 30.300 -0.188 0.000 1.268 386 R HN 0.538 nan 8.270 nan 0.000 0.475 387 D N 2.046 122.285 120.400 -0.269 0.000 2.417 387 D HA 0.063 4.703 4.640 -0.000 0.000 0.250 387 D C -1.349 174.600 176.300 -0.585 0.000 1.166 387 D CA -1.398 52.399 54.000 -0.338 0.000 0.881 387 D CB 1.306 41.989 40.800 -0.195 0.000 1.164 387 D HN 0.371 nan 8.370 nan 0.000 0.467 388 P HA -0.021 nan 4.420 nan 0.000 0.245 388 P C 1.116 178.103 177.300 -0.521 0.000 1.212 388 P CA 0.151 62.594 63.100 -1.094 0.000 0.774 388 P CB 0.307 31.182 31.700 -1.375 0.000 0.999 389 T N 0.198 114.561 114.554 -0.318 0.000 2.607 389 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 389 T C 1.795 176.439 174.700 -0.093 0.000 1.049 389 T CA 2.532 64.541 62.100 -0.151 0.000 1.162 389 T CB -1.164 67.657 68.868 -0.079 0.000 0.863 389 T HN 0.215 nan 8.240 nan 0.000 0.424 390 T N 2.166 116.674 114.554 -0.077 0.000 2.746 390 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 390 T C -0.551 174.124 174.700 -0.042 0.000 1.039 390 T CA 1.183 63.269 62.100 -0.023 0.000 1.142 390 T CB -1.213 67.675 68.868 0.034 0.000 0.866 390 T HN 0.338 nan 8.240 nan 0.000 0.444 391 P HA 0.009 nan 4.420 nan 0.000 0.215 391 P C 1.486 178.825 177.300 0.066 0.000 1.153 391 P CA 0.904 64.011 63.100 0.012 0.000 0.853 391 P CB -0.162 31.506 31.700 -0.054 0.000 0.788 392 L N -1.535 119.680 121.223 -0.013 0.000 2.156 392 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 392 L C 2.414 179.329 176.870 0.076 0.000 1.095 392 L CA 1.258 56.118 54.840 0.033 0.000 0.770 392 L CB -1.044 40.991 42.059 -0.040 0.000 0.914 392 L HN -0.051 nan 8.230 nan 0.000 0.439 393 A N 0.329 123.183 122.820 0.056 0.000 1.930 393 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 393 A C 2.374 180.038 177.584 0.134 0.000 1.175 393 A CA 1.308 53.400 52.037 0.092 0.000 0.627 393 A CB -0.376 18.656 19.000 0.053 0.000 0.815 393 A HN 0.315 nan 8.150 nan 0.000 0.443 394 R N -0.587 119.968 120.500 0.092 0.000 2.115 394 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 394 R C 2.405 178.876 176.300 0.285 0.000 1.100 394 R CA 0.967 57.142 56.100 0.124 0.000 0.980 394 R CB -0.375 29.938 30.300 0.021 0.000 0.875 394 R HN 0.497 nan 8.270 nan 0.000 0.445 395 A N 1.315 124.324 122.820 0.315 0.000 1.930 395 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 395 A C 2.341 180.191 177.584 0.442 0.000 1.175 395 A CA 1.580 53.928 52.037 0.518 0.000 0.627 395 A CB -0.497 18.818 19.000 0.524 0.000 0.815 395 A HN 0.371 nan 8.150 nan 0.000 0.443 396 A N -1.416 121.564 122.820 0.266 0.000 1.930 396 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 396 A C 2.081 179.789 177.584 0.206 0.000 1.175 396 A CA 1.319 53.465 52.037 0.181 0.000 0.627 396 A CB -0.765 18.321 19.000 0.143 0.000 0.815 396 A HN 0.827 nan 8.150 nan 0.000 0.443 397 W N 1.155 122.518 121.300 0.106 0.000 2.379 397 W HA -0.110 4.550 4.660 -0.000 0.000 0.307 397 W C 1.510 178.107 176.519 0.130 0.000 1.200 397 W CA 1.792 59.186 57.345 0.082 0.000 1.297 397 W CB -0.284 29.201 29.460 0.041 0.000 1.140 397 W HN 0.553 nan 8.180 nan 0.000 0.507 398 E N -0.724 119.778 120.200 0.504 0.000 2.478 398 E HA -0.109 4.241 4.350 -0.000 0.000 0.198 398 E C 1.823 178.679 176.600 0.426 0.000 1.046 398 E CA 1.171 57.859 56.400 0.479 0.000 0.870 398 E CB -0.118 29.904 29.700 0.537 0.000 0.818 398 E HN 0.083 nan 8.360 nan 0.000 0.527 399 T N 0.204 114.960 114.554 0.338 0.000 2.985 399 T HA 0.013 4.362 4.350 -0.000 0.000 0.266 399 T C 1.651 176.394 174.700 0.071 0.000 1.076 399 T CA 1.086 63.315 62.100 0.214 0.000 1.135 399 T CB 0.177 69.162 68.868 0.194 0.000 0.890 399 T HN 0.219 nan 8.240 nan 0.000 0.480 400 A N 0.216 123.032 122.820 -0.007 0.000 2.419 400 A HA 0.393 4.712 4.320 -0.000 0.000 0.233 400 A C 0.728 178.219 177.584 -0.156 0.000 1.217 400 A CA -0.195 51.771 52.037 -0.118 0.000 0.944 400 A CB 0.596 19.471 19.000 -0.208 0.000 1.025 400 A HN 0.082 nan 8.150 nan 0.000 0.524 401 R N 0.203 120.662 120.500 -0.068 0.000 2.564 401 R HA 0.316 4.656 4.340 -0.000 0.000 0.284 401 R C -1.604 174.797 176.300 0.168 0.000 1.031 401 R CA -0.459 55.625 56.100 -0.026 0.000 0.904 401 R CB 0.885 31.189 30.300 0.005 0.000 1.199 401 R HN 0.546 nan 8.270 nan 0.000 0.443 402 H N 1.100 120.246 119.070 0.125 0.000 2.722 402 H HA 0.189 4.744 4.556 -0.000 0.000 0.328 402 H C 0.480 175.884 175.328 0.127 0.000 1.067 402 H CA 0.134 56.257 56.048 0.125 0.000 1.447 402 H CB 1.052 30.861 29.762 0.078 0.000 1.469 402 H HN 0.533 nan 8.280 nan 0.000 0.544 403 T N 0.175 114.874 114.554 0.241 0.000 2.924 403 T HA 0.207 4.557 4.350 -0.000 0.000 0.291 403 T C -1.826 172.894 174.700 0.033 0.000 1.045 403 T CA -2.135 60.047 62.100 0.137 0.000 1.015 403 T CB 1.793 70.742 68.868 0.134 0.000 1.103 403 T HN 0.258 nan 8.240 nan 0.000 0.496 404 P HA 0.081 nan 4.420 nan 0.000 0.217 404 P C -0.185 177.065 177.300 -0.083 0.000 1.150 404 P CA 0.479 63.526 63.100 -0.088 0.000 0.832 404 P CB 0.098 31.749 31.700 -0.081 0.000 0.787 405 V N 1.014 120.888 119.914 -0.068 0.000 2.448 405 V HA 0.232 4.352 4.120 -0.000 0.000 0.295 405 V C -0.123 175.912 176.094 -0.099 0.000 1.025 405 V CA -0.820 61.425 62.300 -0.090 0.000 0.859 405 V CB 1.639 33.409 31.823 -0.088 0.000 0.988 405 V HN -0.010 nan 8.190 nan 0.000 0.431 406 N N 3.043 121.631 118.700 -0.187 0.000 2.645 406 N HA 0.073 4.812 4.740 -0.000 0.000 0.233 406 N C 1.398 176.658 175.510 -0.415 0.000 1.058 406 N CA 0.166 53.025 53.050 -0.319 0.000 0.942 406 N CB 1.635 39.788 38.487 -0.558 0.000 1.210 406 N HN 0.844 nan 8.380 nan 0.000 0.512 407 S N 1.950 117.539 115.700 -0.185 0.000 2.400 407 S HA -0.137 4.333 4.470 -0.000 0.000 0.232 407 S C 1.839 176.384 174.600 -0.091 0.000 1.025 407 S CA 0.409 58.547 58.200 -0.103 0.000 0.993 407 S CB -0.431 62.767 63.200 -0.003 0.000 0.808 407 S HN 0.786 nan 8.310 nan 0.000 0.478 408 W N 1.220 122.430 121.300 -0.150 0.000 2.363 408 W HA 0.006 4.665 4.660 -0.001 0.000 0.296 408 W C 1.722 178.157 176.519 -0.141 0.000 1.212 408 W CA 0.461 57.678 57.345 -0.215 0.000 1.260 408 W CB -1.059 27.904 29.460 -0.829 0.000 1.131 408 W HN 0.362 nan 8.180 nan 0.000 0.530 409 L N 2.815 123.372 121.223 -1.112 0.000 2.072 409 L HA 0.160 4.500 4.340 -0.000 0.000 0.205 409 L C 2.683 179.350 176.870 -0.339 0.000 1.079 409 L CA 2.794 57.078 54.840 -0.927 0.000 0.752 409 L CB -1.370 39.931 42.059 -1.264 0.000 0.906 409 L HN 0.043 nan 8.230 nan 0.000 0.436 410 G N -0.744 107.880 108.800 -0.294 0.000 2.422 410 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.218 410 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.218 410 G C 1.459 176.348 174.900 -0.018 0.000 1.146 410 G CA 0.742 45.754 45.100 -0.147 0.000 0.769 410 G HN 0.432 nan 8.290 nan 0.000 0.547 411 N N 0.499 119.248 118.700 0.082 0.000 2.188 411 N HA 0.006 4.746 4.740 -0.000 0.000 0.184 411 N C 2.217 177.856 175.510 0.216 0.000 1.018 411 N CA 0.552 53.774 53.050 0.287 0.000 0.858 411 N CB -0.117 38.629 38.487 0.433 0.000 0.989 411 N HN 0.330 nan 8.380 nan 0.000 0.426 412 I N 0.858 121.521 120.570 0.156 0.000 2.252 412 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 412 I C 1.988 178.152 176.117 0.078 0.000 1.102 412 I CA 0.749 62.127 61.300 0.130 0.000 1.385 412 I CB -0.083 38.067 38.000 0.250 0.000 1.064 412 I HN 0.036 nan 8.210 nan 0.000 0.414 413 I N 0.043 120.662 120.570 0.082 0.000 2.142 413 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 413 I C 2.480 178.695 176.117 0.164 0.000 1.078 413 I CA 1.318 62.693 61.300 0.126 0.000 1.343 413 I CB -0.239 37.828 38.000 0.113 0.000 1.046 413 I HN 0.205 nan 8.210 nan 0.000 0.405 414 M N -0.757 118.856 119.600 0.022 0.000 2.288 414 M HA -0.101 4.379 4.480 -0.000 0.000 0.266 414 M C 1.042 177.175 176.300 -0.278 0.000 1.072 414 M CA 1.621 56.843 55.300 -0.130 0.000 1.132 414 M CB -0.639 31.740 32.600 -0.368 0.000 1.386 414 M HN 0.199 nan 8.290 nan 0.000 0.432 415 Y N -0.390 119.896 120.300 -0.024 0.000 2.720 415 Y HA 0.473 5.023 4.550 -0.000 0.000 0.277 415 Y C 1.847 177.495 175.900 -0.421 0.000 1.144 415 Y CA -0.444 57.531 58.100 -0.208 0.000 1.221 415 Y CB -1.001 37.282 38.460 -0.296 0.000 1.163 415 Y HN 0.149 nan 8.280 nan 0.000 0.537 416 A N 0.922 123.543 122.820 -0.331 0.000 1.917 416 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 416 A C -0.327 176.982 177.584 -0.459 0.000 1.182 416 A CA 1.746 53.550 52.037 -0.387 0.000 0.633 416 A CB -1.377 17.384 19.000 -0.398 0.000 0.819 416 A HN 0.286 nan 8.150 nan 0.000 0.448 417 P HA 0.003 nan 4.420 nan 0.000 0.229 417 P C 0.696 177.751 177.300 -0.408 0.000 1.160 417 P CA 1.277 64.109 63.100 -0.446 0.000 0.777 417 P CB -0.362 31.101 31.700 -0.395 0.000 0.814 418 T N -2.588 111.737 114.554 -0.382 0.000 2.898 418 T HA 0.092 4.441 4.350 -0.000 0.000 0.301 418 T C 1.127 175.435 174.700 -0.652 0.000 1.049 418 T CA -0.619 61.218 62.100 -0.438 0.000 1.095 418 T CB 0.552 68.970 68.868 -0.751 0.000 0.976 418 T HN -0.184 nan 8.240 nan 0.000 0.539 419 L N 2.398 123.150 121.223 -0.784 0.000 2.012 419 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 419 L C 2.418 178.963 176.870 -0.542 0.000 1.073 419 L CA 1.775 56.071 54.840 -0.907 0.000 0.748 419 L CB -0.966 40.454 42.059 -1.065 0.000 0.891 419 L HN 0.934 nan 8.230 nan 0.000 0.431 420 W N -0.787 120.299 121.300 -0.357 0.000 2.436 420 W HA 0.063 4.723 4.660 -0.000 0.000 0.284 420 W C 1.979 178.363 176.519 -0.226 0.000 1.225 420 W CA 0.796 57.970 57.345 -0.284 0.000 1.271 420 W CB -1.373 27.954 29.460 -0.222 0.000 1.114 420 W HN 0.321 nan 8.180 nan 0.000 0.559 421 A N 1.987 124.322 122.820 -0.808 0.000 1.898 421 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 421 A C 2.257 179.686 177.584 -0.259 0.000 1.181 421 A CA 1.778 53.496 52.037 -0.532 0.000 0.620 421 A CB -0.751 17.789 19.000 -0.765 0.000 0.819 421 A HN 0.301 nan 8.150 nan 0.000 0.442 422 R N -1.012 119.257 120.500 -0.385 0.000 2.062 422 R HA 0.049 4.389 4.340 -0.000 0.000 0.229 422 R C 2.265 178.408 176.300 -0.263 0.000 1.128 422 R CA 1.676 57.575 56.100 -0.335 0.000 0.960 422 R CB -0.355 29.590 30.300 -0.590 0.000 0.855 422 R HN 0.494 nan 8.270 nan 0.000 0.432 423 M N -0.207 119.101 119.600 -0.485 0.000 2.236 423 M HA -0.028 4.452 4.480 -0.000 0.000 0.266 423 M C 1.919 178.181 176.300 -0.064 0.000 1.070 423 M CA 1.509 56.621 55.300 -0.312 0.000 1.137 423 M CB 0.100 32.449 32.600 -0.419 0.000 1.378 423 M HN 0.130 nan 8.290 nan 0.000 0.426 424 I N -0.816 119.561 120.570 -0.322 0.000 2.962 424 I HA -0.101 4.069 4.170 -0.000 0.000 0.246 424 I C 2.097 178.054 176.117 -0.268 0.000 1.091 424 I CA 0.277 61.115 61.300 -0.770 0.000 1.469 424 I CB -0.313 37.173 38.000 -0.858 0.000 1.324 424 I HN 0.125 nan 8.210 nan 0.000 0.461 425 L N 0.461 121.703 121.223 0.032 0.000 1.971 425 L HA -0.261 4.078 4.340 -0.000 0.000 0.215 425 L C 2.745 179.910 176.870 0.491 0.000 1.072 425 L CA 1.818 56.871 54.840 0.356 0.000 0.758 425 L CB -0.558 41.747 42.059 0.409 0.000 0.889 425 L HN 0.297 nan 8.230 nan 0.000 0.433 426 M N -0.904 118.949 119.600 0.421 0.000 2.080 426 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 426 M C 2.329 179.111 176.300 0.804 0.000 1.068 426 M CA 2.211 57.857 55.300 0.578 0.000 1.109 426 M CB -0.764 31.978 32.600 0.236 0.000 1.342 426 M HN 0.292 nan 8.290 nan 0.000 0.405 427 T N -1.287 113.722 114.554 0.760 0.000 2.652 427 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 427 T C 1.660 176.650 174.700 0.484 0.000 1.039 427 T CA 1.971 64.484 62.100 0.688 0.000 1.153 427 T CB -0.578 68.732 68.868 0.737 0.000 0.863 427 T HN 0.454 nan 8.240 nan 0.000 0.428 428 H N 0.451 119.697 119.070 0.294 0.000 2.293 428 H HA -0.028 4.527 4.556 -0.000 0.000 0.300 428 H C 1.788 176.979 175.328 -0.229 0.000 1.082 428 H CA 1.653 57.730 56.048 0.049 0.000 1.308 428 H CB -0.549 29.089 29.762 -0.207 0.000 1.375 428 H HN 0.353 nan 8.280 nan 0.000 0.495 429 F N -1.206 118.688 119.950 -0.092 0.000 2.259 429 F HA -0.012 4.515 4.527 -0.001 0.000 0.298 429 F C 1.971 177.584 175.800 -0.312 0.000 1.088 429 F CA 0.515 58.226 58.000 -0.482 0.000 1.358 429 F CB -0.466 37.866 39.000 -1.112 0.000 1.040 429 F HN 0.146 nan 8.300 nan 0.000 0.505 430 F N -0.655 119.366 119.950 0.117 0.000 2.325 430 F HA -0.147 4.379 4.527 -0.000 0.000 0.299 430 F C 2.689 178.509 175.800 0.033 0.000 1.090 430 F CA 1.306 59.398 58.000 0.153 0.000 1.392 430 F CB -0.793 38.406 39.000 0.331 0.000 1.053 430 F HN -0.101 nan 8.300 nan 0.000 0.521 431 S N 0.403 116.168 115.700 0.109 0.000 2.356 431 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 431 S C 2.171 176.722 174.600 -0.082 0.000 1.032 431 S CA 1.420 59.615 58.200 -0.009 0.000 1.005 431 S CB -0.432 62.740 63.200 -0.046 0.000 0.867 431 S HN 0.326 nan 8.310 nan 0.000 0.449 432 I N 1.250 121.705 120.570 -0.191 0.000 2.179 432 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 432 I C 2.229 178.293 176.117 -0.088 0.000 1.088 432 I CA 1.128 62.317 61.300 -0.185 0.000 1.357 432 I CB -0.350 37.471 38.000 -0.298 0.000 1.051 432 I HN 0.318 nan 8.210 nan 0.000 0.409 433 L N 0.049 121.218 121.223 -0.089 0.000 2.083 433 L HA -0.226 4.113 4.340 -0.000 0.000 0.209 433 L C 2.535 179.402 176.870 -0.005 0.000 1.083 433 L CA 1.238 56.047 54.840 -0.051 0.000 0.752 433 L CB -0.472 41.509 42.059 -0.129 0.000 0.899 433 L HN 0.285 nan 8.230 nan 0.000 0.433 434 L N -0.327 120.906 121.223 0.018 0.000 1.994 434 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 434 L C 2.870 179.748 176.870 0.013 0.000 1.071 434 L CA 1.308 56.171 54.840 0.038 0.000 0.745 434 L CB -0.623 41.467 42.059 0.051 0.000 0.892 434 L HN 0.229 nan 8.230 nan 0.000 0.431 435 A N -1.021 121.795 122.820 -0.007 0.000 1.978 435 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 435 A C 2.048 179.631 177.584 -0.002 0.000 1.170 435 A CA 1.481 53.511 52.037 -0.012 0.000 0.636 435 A CB -0.244 18.738 19.000 -0.030 0.000 0.810 435 A HN 0.474 nan 8.150 nan 0.000 0.448 436 Q N -1.155 118.647 119.800 0.004 0.000 2.282 436 Q HA 0.123 4.463 4.340 -0.000 0.000 0.206 436 Q C -0.499 175.513 176.000 0.021 0.000 0.878 436 Q CA 0.296 56.109 55.803 0.016 0.000 0.944 436 Q CB 0.213 28.968 28.738 0.028 0.000 1.100 436 Q HN 0.779 nan 8.270 nan 0.000 0.509 437 E N 0.878 121.090 120.200 0.021 0.000 2.271 437 E HA -0.234 4.116 4.350 -0.000 0.000 0.223 437 E C -0.364 176.253 176.600 0.029 0.000 1.223 437 E CA 0.253 56.670 56.400 0.027 0.000 0.704 437 E CB -1.015 28.700 29.700 0.025 0.000 1.194 437 E HN 0.365 nan 8.360 nan 0.000 0.375 438 Q N -0.225 119.591 119.800 0.027 0.000 2.115 438 Q HA 0.225 4.565 4.340 -0.000 0.000 0.249 438 Q C 1.388 177.405 176.000 0.029 0.000 0.830 438 Q CA -0.245 55.575 55.803 0.028 0.000 1.104 438 Q CB 0.565 29.319 28.738 0.027 0.000 1.207 438 Q HN 0.391 nan 8.270 nan 0.000 0.464 439 L N -0.031 121.214 121.223 0.037 0.000 2.201 439 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 439 L C 1.401 178.309 176.870 0.063 0.000 1.105 439 L CA 1.398 56.266 54.840 0.047 0.000 0.775 439 L CB 0.062 42.181 42.059 0.100 0.000 0.913 439 L HN 0.311 nan 8.230 nan 0.000 0.440 440 E N -0.402 119.832 120.200 0.056 0.000 2.474 440 E HA -0.007 4.343 4.350 -0.000 0.000 0.195 440 E C 0.550 177.177 176.600 0.045 0.000 1.039 440 E CA -0.134 56.298 56.400 0.055 0.000 0.881 440 E CB 0.370 30.100 29.700 0.049 0.000 0.970 440 E HN 0.190 nan 8.360 nan 0.000 0.486 441 K N 2.055 122.478 120.400 0.039 0.000 2.349 441 K HA 0.283 4.603 4.320 -0.000 0.000 0.288 441 K C -0.462 176.157 176.600 0.033 0.000 1.058 441 K CA -0.278 56.027 56.287 0.030 0.000 0.953 441 K CB 0.690 33.202 32.500 0.019 0.000 0.997 441 K HN -0.077 nan 8.250 nan 0.000 0.477 442 A N 5.464 128.304 122.820 0.032 0.000 2.477 442 A HA 0.289 4.609 4.320 -0.000 0.000 0.246 442 A C -0.427 177.165 177.584 0.013 0.000 1.078 442 A CA -0.181 51.875 52.037 0.033 0.000 0.770 442 A CB 0.111 19.141 19.000 0.049 0.000 1.011 442 A HN 0.778 nan 8.150 nan 0.000 0.494 443 L N 2.162 123.379 121.223 -0.011 0.000 2.354 443 L HA 0.388 4.728 4.340 -0.000 0.000 0.269 443 L C -0.665 176.163 176.870 -0.070 0.000 1.005 443 L CA -1.040 53.768 54.840 -0.052 0.000 0.819 443 L CB 1.975 43.979 42.059 -0.092 0.000 1.311 443 L HN 0.616 nan 8.230 nan 0.000 0.423 444 D N 1.258 121.616 120.400 -0.069 0.000 2.264 444 D HA 0.476 5.115 4.640 -0.000 0.000 0.249 444 D C -0.427 175.796 176.300 -0.128 0.000 1.070 444 D CA 0.004 53.973 54.000 -0.052 0.000 0.912 444 D CB 1.862 42.652 40.800 -0.018 0.000 1.193 444 D HN 0.623 nan 8.370 nan 0.000 0.427 445 C N -0.033 119.197 119.300 -0.116 0.000 3.318 445 C HA 0.614 5.073 4.460 -0.000 0.000 0.322 445 C C -1.362 173.567 174.990 -0.101 0.000 1.398 445 C CA -0.844 58.077 59.018 -0.162 0.000 1.339 445 C CB 1.437 29.026 27.740 -0.251 0.000 1.668 445 C HN 0.556 nan 8.230 nan 0.000 0.462 446 Q N 0.824 120.563 119.800 -0.102 0.000 2.340 446 Q HA 0.747 5.087 4.340 -0.000 0.000 0.268 446 Q C -1.286 174.664 176.000 -0.082 0.000 1.031 446 Q CA -0.416 55.353 55.803 -0.057 0.000 0.804 446 Q CB 2.492 31.206 28.738 -0.040 0.000 1.286 446 Q HN 0.731 nan 8.270 nan 0.000 0.448 447 I N 2.866 123.388 120.570 -0.079 0.000 2.439 447 I HA 0.203 4.373 4.170 -0.000 0.000 0.285 447 I C -1.012 175.125 176.117 0.033 0.000 1.021 447 I CA -0.828 60.354 61.300 -0.196 0.000 1.091 447 I CB 0.994 38.609 38.000 -0.640 0.000 1.242 447 I HN 0.656 nan 8.210 nan 0.000 0.439 448 Y N 5.162 125.505 120.300 0.072 0.000 3.589 448 Y HA -0.255 4.294 4.550 -0.000 0.000 0.218 448 Y C 1.464 177.328 175.900 -0.059 0.000 1.234 448 Y CA 1.055 59.188 58.100 0.055 0.000 1.576 448 Y CB -1.993 36.526 38.460 0.098 0.000 1.487 448 Y HN 0.982 nan 8.280 nan 0.000 0.616 449 G N -2.045 106.831 108.800 0.128 0.000 2.320 449 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.242 449 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.242 449 G C 0.557 175.460 174.900 0.006 0.000 1.033 449 G CA 0.281 45.410 45.100 0.049 0.000 0.620 449 G HN 1.606 nan 8.290 nan 0.000 0.517 450 A N -0.204 122.618 122.820 0.002 0.000 2.340 450 A HA 0.589 4.909 4.320 -0.000 0.000 0.268 450 A C 0.683 178.078 177.584 -0.314 0.000 1.100 450 A CA 0.542 52.407 52.037 -0.287 0.000 0.803 450 A CB 0.526 19.204 19.000 -0.537 0.000 1.043 450 A HN 1.082 nan 8.150 nan 0.000 0.488 451 C N 1.503 120.529 119.300 -0.457 0.000 2.330 451 C HA 0.672 5.132 4.460 -0.000 0.000 0.344 451 C C -0.512 174.065 174.990 -0.687 0.000 1.273 451 C CA -0.263 58.571 59.018 -0.307 0.000 1.879 451 C CB -1.292 26.429 27.740 -0.031 0.000 2.376 451 C HN 0.703 nan 8.230 nan 0.000 0.534 452 Y N 0.490 120.568 120.300 -0.370 0.000 2.536 452 Y HA 0.521 5.071 4.550 -0.000 0.000 0.347 452 Y C 0.331 176.100 175.900 -0.217 0.000 1.000 452 Y CA -0.586 57.256 58.100 -0.430 0.000 1.051 452 Y CB 1.571 39.736 38.460 -0.492 0.000 1.259 452 Y HN 0.540 nan 8.280 nan 0.000 0.468 453 S N 2.963 118.664 115.700 0.001 0.000 2.438 453 S HA 0.726 5.196 4.470 -0.000 0.000 0.316 453 S C -1.071 173.576 174.600 0.078 0.000 1.084 453 S CA -0.347 57.901 58.200 0.080 0.000 1.107 453 S CB -0.395 62.903 63.200 0.162 0.000 0.981 453 S HN 0.521 nan 8.310 nan 0.000 0.466 454 I N 3.801 124.397 120.570 0.044 0.000 2.545 454 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 454 I C -0.204 175.936 176.117 0.038 0.000 1.040 454 I CA -0.675 60.660 61.300 0.058 0.000 1.068 454 I CB 2.237 40.267 38.000 0.050 0.000 1.251 454 I HN 0.531 nan 8.210 nan 0.000 0.424 455 E N 6.842 127.080 120.200 0.063 0.000 2.194 455 E HA 0.184 4.534 4.350 -0.000 0.000 0.284 455 E C -1.791 174.863 176.600 0.090 0.000 1.035 455 E CA -1.561 54.879 56.400 0.066 0.000 0.836 455 E CB 1.273 31.014 29.700 0.068 0.000 1.070 455 E HN 0.320 nan 8.360 nan 0.000 0.401 456 P HA -0.203 nan 4.420 nan 0.000 0.217 456 P C 0.957 178.414 177.300 0.263 0.000 1.148 456 P CA 1.120 64.308 63.100 0.146 0.000 0.828 456 P CB 0.226 31.940 31.700 0.022 0.000 0.783 457 L N -0.882 120.463 121.223 0.203 0.000 2.353 457 L HA -0.139 4.201 4.340 -0.000 0.000 0.220 457 L C 1.228 178.194 176.870 0.160 0.000 1.133 457 L CA 1.205 56.176 54.840 0.218 0.000 0.798 457 L CB -0.614 41.534 42.059 0.149 0.000 0.922 457 L HN 0.011 nan 8.230 nan 0.000 0.445 458 D N -0.498 119.981 120.400 0.132 0.000 2.339 458 D HA 0.025 4.665 4.640 -0.000 0.000 0.217 458 D C 2.219 178.577 176.300 0.097 0.000 1.050 458 D CA 0.213 54.262 54.000 0.082 0.000 0.856 458 D CB 0.389 41.223 40.800 0.057 0.000 0.922 458 D HN 0.297 nan 8.370 nan 0.000 0.518 459 L N 0.989 122.317 121.223 0.174 0.000 2.043 459 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 459 L C -0.464 176.510 176.870 0.174 0.000 1.075 459 L CA 1.575 56.535 54.840 0.201 0.000 0.752 459 L CB -1.377 40.879 42.059 0.328 0.000 0.891 459 L HN 0.039 nan 8.230 nan 0.000 0.432 460 P HA -0.192 nan 4.420 nan 0.000 0.214 460 P C 1.345 178.702 177.300 0.095 0.000 1.163 460 P CA 1.248 64.391 63.100 0.072 0.000 0.883 460 P CB 0.052 31.627 31.700 -0.208 0.000 0.788 461 Q N -0.755 119.035 119.800 -0.018 0.000 2.084 461 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 461 Q C 2.197 178.182 176.000 -0.025 0.000 0.978 461 Q CA 1.344 57.123 55.803 -0.041 0.000 0.844 461 Q CB -1.151 27.547 28.738 -0.067 0.000 0.898 461 Q HN 0.261 nan 8.270 nan 0.000 0.426 462 I N -0.029 120.530 120.570 -0.020 0.000 2.179 462 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 462 I C 2.003 178.108 176.117 -0.019 0.000 1.088 462 I CA 1.211 62.462 61.300 -0.082 0.000 1.357 462 I CB -0.266 37.714 38.000 -0.035 0.000 1.051 462 I HN 0.185 nan 8.210 nan 0.000 0.409 463 I N 0.362 120.989 120.570 0.095 0.000 2.286 463 I HA -0.283 3.886 4.170 -0.000 0.000 0.248 463 I C 2.618 178.752 176.117 0.028 0.000 1.115 463 I CA 1.321 62.690 61.300 0.115 0.000 1.392 463 I CB -0.368 37.691 38.000 0.099 0.000 1.065 463 I HN 0.301 nan 8.210 nan 0.000 0.418 464 E N 1.011 121.270 120.200 0.097 0.000 2.077 464 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 464 E C 2.383 178.982 176.600 -0.003 0.000 0.989 464 E CA 1.063 57.514 56.400 0.085 0.000 0.800 464 E CB 0.143 29.935 29.700 0.154 0.000 0.746 464 E HN 0.283 nan 8.360 nan 0.000 0.452 465 R N 0.205 120.679 120.500 -0.044 0.000 2.075 465 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 465 R C 2.507 178.738 176.300 -0.115 0.000 1.126 465 R CA 0.877 56.923 56.100 -0.090 0.000 0.963 465 R CB -0.626 29.584 30.300 -0.151 0.000 0.858 465 R HN 0.344 nan 8.270 nan 0.000 0.435 466 L N -0.576 120.555 121.223 -0.155 0.000 2.095 466 L HA -0.082 4.258 4.340 -0.000 0.000 0.204 466 L C 1.994 178.600 176.870 -0.441 0.000 1.080 466 L CA 1.137 55.808 54.840 -0.283 0.000 0.759 466 L CB -0.405 41.444 42.059 -0.350 0.000 0.914 466 L HN 0.277 nan 8.230 nan 0.000 0.439 467 H N -0.804 118.203 119.070 -0.104 0.000 2.874 467 H HA 0.293 4.849 4.556 -0.000 0.000 0.264 467 H C 0.946 176.196 175.328 -0.129 0.000 1.007 467 H CA 0.758 56.729 56.048 -0.128 0.000 1.207 467 H CB 0.990 30.643 29.762 -0.182 0.000 1.487 467 H HN 0.310 nan 8.280 nan 0.000 0.505 468 G N 1.007 109.793 108.800 -0.024 0.000 2.730 468 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 468 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 468 G C 0.668 175.538 174.900 -0.050 0.000 1.343 468 G CA -0.188 44.902 45.100 -0.017 0.000 0.826 468 G HN 0.218 nan 8.290 nan 0.000 0.582 469 L N 1.066 122.321 121.223 0.052 0.000 2.261 469 L HA -0.136 4.204 4.340 -0.000 0.000 0.216 469 L C 3.230 180.139 176.870 0.065 0.000 1.114 469 L CA 2.209 57.149 54.840 0.167 0.000 0.777 469 L CB -0.590 41.615 42.059 0.245 0.000 0.910 469 L HN 0.943 nan 8.230 nan 0.000 0.440 470 S N 0.239 115.933 115.700 -0.010 0.000 2.419 470 S HA -0.224 4.245 4.470 -0.000 0.000 0.235 470 S C 2.139 176.663 174.600 -0.127 0.000 1.019 470 S CA 0.922 59.099 58.200 -0.039 0.000 0.982 470 S CB -0.447 62.721 63.200 -0.053 0.000 0.789 470 S HN 0.392 nan 8.310 nan 0.000 0.490 471 A N 0.672 123.327 122.820 -0.274 0.000 2.076 471 A HA 0.124 4.444 4.320 -0.000 0.000 0.220 471 A C 1.516 178.883 177.584 -0.361 0.000 1.160 471 A CA 1.094 52.879 52.037 -0.419 0.000 0.653 471 A CB -0.857 17.785 19.000 -0.598 0.000 0.801 471 A HN 0.602 nan 8.150 nan 0.000 0.455 472 F N -0.145 119.821 119.950 0.027 0.000 2.765 472 F HA 0.137 4.664 4.527 -0.000 0.000 0.302 472 F C 1.770 177.619 175.800 0.082 0.000 1.111 472 F CA 0.545 58.587 58.000 0.070 0.000 1.359 472 F CB 0.110 39.177 39.000 0.113 0.000 1.097 472 F HN 0.263 nan 8.300 nan 0.000 0.577 473 S N -1.548 114.253 115.700 0.168 0.000 2.960 473 S HA 0.302 4.772 4.470 -0.000 0.000 0.256 473 S C 0.006 174.676 174.600 0.117 0.000 1.017 473 S CA -0.377 57.919 58.200 0.161 0.000 1.144 473 S CB -0.620 62.666 63.200 0.144 0.000 1.109 473 S HN 0.047 nan 8.310 nan 0.000 0.638 474 L N 3.340 124.549 121.223 -0.024 0.000 2.456 474 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 474 L C 0.561 177.355 176.870 -0.126 0.000 1.189 474 L CA 0.112 54.818 54.840 -0.223 0.000 0.846 474 L CB 0.046 41.828 42.059 -0.462 0.000 1.111 474 L HN 0.661 nan 8.230 nan 0.000 0.475 475 H N -1.495 117.413 119.070 -0.270 0.000 2.960 475 H HA 0.393 4.949 4.556 -0.000 0.000 0.323 475 H C -0.359 174.879 175.328 -0.151 0.000 1.326 475 H CA -0.945 55.035 56.048 -0.114 0.000 1.124 475 H CB 1.067 30.847 29.762 0.031 0.000 1.853 475 H HN 0.395 nan 8.280 nan 0.000 0.536 476 S N -0.316 115.494 115.700 0.183 0.000 3.572 476 S HA -0.225 4.245 4.470 -0.000 0.000 0.394 476 S C -0.614 174.018 174.600 0.054 0.000 0.923 476 S CA 0.440 58.757 58.200 0.194 0.000 1.291 476 S CB -2.409 60.963 63.200 0.288 0.000 0.914 476 S HN 0.523 nan 8.310 nan 0.000 0.545 477 Y N 1.719 122.047 120.300 0.047 0.000 2.296 477 Y HA 0.333 4.882 4.550 -0.001 0.000 0.343 477 Y C 1.452 177.387 175.900 0.057 0.000 1.292 477 Y CA 0.226 58.342 58.100 0.027 0.000 1.490 477 Y CB 0.335 38.813 38.460 0.030 0.000 1.359 477 Y HN 0.544 nan 8.280 nan 0.000 0.599 478 S N 0.632 116.461 115.700 0.215 0.000 2.592 478 S HA 0.181 4.651 4.470 -0.000 0.000 0.271 478 S C -2.086 172.591 174.600 0.129 0.000 1.326 478 S CA -1.080 57.200 58.200 0.133 0.000 1.024 478 S CB 1.316 64.570 63.200 0.090 0.000 0.921 478 S HN 0.408 nan 8.310 nan 0.000 0.527 479 P HA 0.011 nan 4.420 nan 0.000 0.215 479 P C 1.742 179.080 177.300 0.064 0.000 1.153 479 P CA 1.617 64.763 63.100 0.077 0.000 0.853 479 P CB -0.427 31.310 31.700 0.061 0.000 0.788 480 G N -0.116 108.718 108.800 0.056 0.000 2.418 480 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 480 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 480 G C 1.663 176.590 174.900 0.045 0.000 1.158 480 G CA 0.953 46.077 45.100 0.040 0.000 0.771 480 G HN 0.256 nan 8.290 nan 0.000 0.545 481 E N 0.768 121.013 120.200 0.075 0.000 2.028 481 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 481 E C 2.463 179.107 176.600 0.073 0.000 0.988 481 E CA 0.881 57.338 56.400 0.095 0.000 0.799 481 E CB -0.455 29.360 29.700 0.191 0.000 0.755 481 E HN 0.483 nan 8.360 nan 0.000 0.447 482 I N 0.950 121.570 120.570 0.083 0.000 2.163 482 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 482 I C 1.969 178.107 176.117 0.035 0.000 1.085 482 I CA 1.241 62.573 61.300 0.052 0.000 1.347 482 I CB -0.503 37.543 38.000 0.076 0.000 1.044 482 I HN 0.183 nan 8.210 nan 0.000 0.408 483 N N 0.709 119.431 118.700 0.038 0.000 2.166 483 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 483 N C 1.909 177.424 175.510 0.008 0.000 1.019 483 N CA 1.156 54.221 53.050 0.025 0.000 0.856 483 N CB -0.431 38.072 38.487 0.026 0.000 0.993 483 N HN 0.381 nan 8.380 nan 0.000 0.426 484 R N 1.004 121.504 120.500 -0.000 0.000 2.066 484 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 484 R C 1.964 178.233 176.300 -0.052 0.000 1.131 484 R CA 0.979 57.062 56.100 -0.028 0.000 0.955 484 R CB -0.154 30.122 30.300 -0.041 0.000 0.851 484 R HN -0.054 nan 8.270 nan 0.000 0.432 485 V N 1.165 121.054 119.914 -0.043 0.000 2.261 485 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 485 V C 2.517 178.593 176.094 -0.030 0.000 1.047 485 V CA 1.996 64.260 62.300 -0.060 0.000 1.015 485 V CB -0.892 30.924 31.823 -0.013 0.000 0.642 485 V HN 0.573 nan 8.190 nan 0.000 0.446 486 A N -0.293 122.527 122.820 -0.001 0.000 1.908 486 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 486 A C 2.477 180.068 177.584 0.012 0.000 1.181 486 A CA 2.482 54.530 52.037 0.018 0.000 0.627 486 A CB -0.780 18.237 19.000 0.029 0.000 0.818 486 A HN 0.523 nan 8.150 nan 0.000 0.445 487 S N -1.398 114.303 115.700 0.001 0.000 2.368 487 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 487 S C 2.029 176.626 174.600 -0.005 0.000 1.029 487 S CA 1.172 59.374 58.200 0.003 0.000 0.988 487 S CB -0.860 62.339 63.200 -0.002 0.000 0.838 487 S HN 0.793 nan 8.310 nan 0.000 0.462 488 C N 2.034 121.315 119.300 -0.031 0.000 2.429 488 C HA 0.023 4.483 4.460 -0.000 0.000 0.277 488 C C 2.418 177.392 174.990 -0.026 0.000 1.262 488 C CA 0.501 59.491 59.018 -0.047 0.000 1.733 488 C CB -1.617 26.055 27.740 -0.113 0.000 2.010 488 C HN 0.558 nan 8.230 nan 0.000 0.483 489 L N 0.331 121.545 121.223 -0.015 0.000 2.046 489 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 489 L C 2.982 179.852 176.870 -0.000 0.000 1.077 489 L CA 1.800 56.644 54.840 0.008 0.000 0.747 489 L CB -0.838 41.251 42.059 0.051 0.000 0.896 489 L HN 0.359 nan 8.230 nan 0.000 0.432 490 R N 0.315 120.824 120.500 0.016 0.000 2.081 490 R HA -0.183 4.156 4.340 -0.000 0.000 0.235 490 R C 2.345 178.683 176.300 0.063 0.000 1.131 490 R CA 1.354 57.472 56.100 0.030 0.000 0.960 490 R CB -0.290 30.035 30.300 0.042 0.000 0.856 490 R HN 0.284 nan 8.270 nan 0.000 0.436 491 K N 0.698 121.137 120.400 0.065 0.000 2.057 491 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 491 K C 1.409 178.121 176.600 0.187 0.000 1.049 491 K CA 1.282 57.640 56.287 0.117 0.000 0.931 491 K CB 0.102 32.643 32.500 0.068 0.000 0.714 491 K HN 0.026 nan 8.250 nan 0.000 0.440 492 L N -0.202 121.049 121.223 0.048 0.000 2.509 492 L HA 0.214 4.554 4.340 -0.000 0.000 0.222 492 L C 1.101 177.761 176.870 -0.351 0.000 1.123 492 L CA 1.201 56.039 54.840 -0.003 0.000 0.856 492 L CB 0.246 42.308 42.059 0.006 0.000 0.985 492 L HN 0.498 nan 8.230 nan 0.000 0.456 493 G N -0.199 108.269 108.800 -0.553 0.000 2.171 493 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.238 493 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.238 493 G C 0.030 174.775 174.900 -0.258 0.000 1.039 493 G CA 0.101 44.747 45.100 -0.756 0.000 0.759 493 G HN 0.091 nan 8.290 nan 0.000 0.501 494 V N 0.793 120.651 119.914 -0.094 0.000 2.509 494 V HA 0.459 4.579 4.120 -0.000 0.000 0.284 494 V C -1.310 174.860 176.094 0.126 0.000 1.047 494 V CA -1.606 60.737 62.300 0.072 0.000 0.952 494 V CB 1.634 33.528 31.823 0.118 0.000 0.988 494 V HN 0.160 nan 8.190 nan 0.000 0.469 495 P HA 0.146 nan 4.420 nan 0.000 0.266 495 P C -2.577 174.841 177.300 0.196 0.000 1.195 495 P CA -0.729 62.405 63.100 0.057 0.000 0.768 495 P CB -0.136 31.433 31.700 -0.218 0.000 0.838 496 P HA 0.038 nan 4.420 nan 0.000 0.268 496 P C 0.977 178.437 177.300 0.267 0.000 1.208 496 P CA 0.117 63.308 63.100 0.153 0.000 0.777 496 P CB 0.323 32.069 31.700 0.076 0.000 0.875 497 L N 1.489 122.883 121.223 0.286 0.000 2.189 497 L HA -0.242 4.098 4.340 -0.000 0.000 0.214 497 L C 2.501 179.553 176.870 0.303 0.000 1.097 497 L CA 1.601 56.648 54.840 0.344 0.000 0.764 497 L CB -0.737 41.430 42.059 0.180 0.000 0.900 497 L HN 0.494 nan 8.230 nan 0.000 0.436 498 R N -0.460 120.153 120.500 0.189 0.000 2.115 498 R HA -0.089 4.251 4.340 -0.000 0.000 0.230 498 R C 1.950 178.326 176.300 0.128 0.000 1.111 498 R CA 1.265 57.455 56.100 0.150 0.000 0.976 498 R CB -0.874 29.476 30.300 0.084 0.000 0.870 498 R HN 0.159 nan 8.270 nan 0.000 0.445 499 V N 0.641 120.584 119.914 0.049 0.000 2.307 499 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 499 V C 1.972 178.032 176.094 -0.057 0.000 1.045 499 V CA 1.750 63.999 62.300 -0.086 0.000 1.024 499 V CB -0.689 30.957 31.823 -0.295 0.000 0.651 499 V HN 0.365 nan 8.190 nan 0.000 0.449 500 W N 0.264 121.665 121.300 0.170 0.000 2.342 500 W HA -0.166 4.494 4.660 -0.000 0.000 0.297 500 W C 2.735 179.447 176.519 0.323 0.000 1.213 500 W CA 1.686 59.167 57.345 0.225 0.000 1.251 500 W CB -0.290 29.298 29.460 0.214 0.000 1.136 500 W HN 0.076 nan 8.180 nan 0.000 0.526 501 R N -0.397 120.422 120.500 0.531 0.000 2.096 501 R HA -0.217 4.123 4.340 -0.000 0.000 0.235 501 R C 2.093 178.535 176.300 0.237 0.000 1.127 501 R CA 2.027 58.421 56.100 0.490 0.000 0.968 501 R CB -0.638 29.918 30.300 0.427 0.000 0.861 501 R HN 0.243 nan 8.270 nan 0.000 0.440 502 H N 0.384 119.513 119.070 0.097 0.000 2.326 502 H HA -0.005 4.551 4.556 -0.000 0.000 0.301 502 H C 1.983 177.295 175.328 -0.025 0.000 1.081 502 H CA 2.047 58.099 56.048 0.007 0.000 1.334 502 H CB 0.108 29.856 29.762 -0.024 0.000 1.385 502 H HN 0.119 nan 8.280 nan 0.000 0.504 503 R N -0.178 120.312 120.500 -0.017 0.000 2.096 503 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 503 R C 2.529 178.761 176.300 -0.114 0.000 1.127 503 R CA 0.979 57.024 56.100 -0.090 0.000 0.968 503 R CB -0.331 29.957 30.300 -0.019 0.000 0.861 503 R HN 0.395 nan 8.270 nan 0.000 0.440 504 A N 1.428 124.233 122.820 -0.024 0.000 1.940 504 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 504 A C 2.056 179.379 177.584 -0.435 0.000 1.176 504 A CA 1.221 53.116 52.037 -0.236 0.000 0.631 504 A CB -0.380 18.545 19.000 -0.125 0.000 0.814 504 A HN 0.234 nan 8.150 nan 0.000 0.446 505 R N -0.585 119.720 120.500 -0.325 0.000 2.105 505 R HA -0.127 4.213 4.340 -0.000 0.000 0.239 505 R C 2.627 178.748 176.300 -0.299 0.000 1.135 505 R CA 1.546 57.463 56.100 -0.305 0.000 0.967 505 R CB -0.496 29.659 30.300 -0.240 0.000 0.861 505 R HN 0.592 nan 8.270 nan 0.000 0.442 506 S N 0.414 115.930 115.700 -0.307 0.000 2.345 506 S HA -0.091 4.379 4.470 -0.000 0.000 0.220 506 S C 2.110 176.559 174.600 -0.251 0.000 1.031 506 S CA 1.241 59.289 58.200 -0.253 0.000 0.996 506 S CB -0.139 62.918 63.200 -0.239 0.000 0.882 506 S HN 0.109 nan 8.310 nan 0.000 0.445 507 V N 2.787 122.508 119.914 -0.322 0.000 2.332 507 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 507 V C 2.738 178.572 176.094 -0.433 0.000 1.055 507 V CA 2.313 64.391 62.300 -0.368 0.000 1.038 507 V CB -0.940 30.568 31.823 -0.525 0.000 0.651 507 V HN 0.528 nan 8.190 nan 0.000 0.450 508 R N 0.445 120.605 120.500 -0.567 0.000 2.081 508 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 508 R C 2.288 178.478 176.300 -0.183 0.000 1.131 508 R CA 1.781 57.663 56.100 -0.363 0.000 0.960 508 R CB -0.466 29.647 30.300 -0.311 0.000 0.856 508 R HN 0.471 nan 8.270 nan 0.000 0.436 509 A N 0.827 123.539 122.820 -0.181 0.000 1.902 509 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 509 A C 2.202 179.735 177.584 -0.085 0.000 1.181 509 A CA 1.442 53.408 52.037 -0.118 0.000 0.623 509 A CB -0.394 18.535 19.000 -0.119 0.000 0.818 509 A HN 0.323 nan 8.150 nan 0.000 0.443 510 R N -0.475 119.969 120.500 -0.093 0.000 2.081 510 R HA 0.002 4.341 4.340 -0.000 0.000 0.235 510 R C 2.028 178.319 176.300 -0.015 0.000 1.131 510 R CA 1.356 57.425 56.100 -0.051 0.000 0.960 510 R CB -0.484 29.786 30.300 -0.051 0.000 0.856 510 R HN 0.561 nan 8.270 nan 0.000 0.436 511 L N -0.073 121.143 121.223 -0.012 0.000 2.027 511 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 511 L C 2.166 179.053 176.870 0.028 0.000 1.074 511 L CA 1.158 56.024 54.840 0.043 0.000 0.745 511 L CB -0.446 41.657 42.059 0.074 0.000 0.898 511 L HN 0.202 nan 8.230 nan 0.000 0.433 512 L N -0.905 120.317 121.223 -0.001 0.000 2.079 512 L HA -0.208 4.131 4.340 -0.000 0.000 0.210 512 L C 2.632 179.501 176.870 -0.002 0.000 1.081 512 L CA 0.984 55.822 54.840 -0.003 0.000 0.752 512 L CB -0.528 41.516 42.059 -0.026 0.000 0.896 512 L HN 0.189 nan 8.230 nan 0.000 0.433 513 S N -0.670 115.025 115.700 -0.008 0.000 2.469 513 S HA -0.175 4.295 4.470 -0.000 0.000 0.238 513 S C 1.743 176.347 174.600 0.006 0.000 0.998 513 S CA 1.031 59.227 58.200 -0.006 0.000 0.957 513 S CB -0.131 63.061 63.200 -0.013 0.000 0.764 513 S HN 0.519 nan 8.310 nan 0.000 0.514 514 Q N 0.195 120.005 119.800 0.018 0.000 2.356 514 Q HA 0.282 4.622 4.340 -0.000 0.000 0.205 514 Q C 1.328 177.345 176.000 0.029 0.000 0.901 514 Q CA 0.251 56.070 55.803 0.027 0.000 0.938 514 Q CB 0.210 28.973 28.738 0.042 0.000 1.081 514 Q HN 0.484 nan 8.270 nan 0.000 0.517 515 G N 1.081 109.897 108.800 0.026 0.000 2.682 515 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.256 515 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.256 515 G C 0.495 175.417 174.900 0.035 0.000 1.333 515 G CA 0.021 45.136 45.100 0.026 0.000 0.904 515 G HN 0.731 nan 8.290 nan 0.000 0.569 516 G N -1.224 107.595 108.800 0.031 0.000 2.578 516 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.284 516 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.284 516 G C 0.981 175.906 174.900 0.042 0.000 1.283 516 G CA 1.386 46.506 45.100 0.033 0.000 0.944 516 G HN 1.562 nan 8.290 nan 0.000 0.558 517 R N -0.043 120.485 120.500 0.046 0.000 2.117 517 R HA 0.013 4.353 4.340 -0.000 0.000 0.243 517 R C 3.258 179.610 176.300 0.086 0.000 1.143 517 R CA 2.609 58.743 56.100 0.056 0.000 0.968 517 R CB -0.679 29.659 30.300 0.064 0.000 0.863 517 R HN 0.825 nan 8.270 nan 0.000 0.444 518 A N 0.874 123.753 122.820 0.100 0.000 1.908 518 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 518 A C 2.361 180.007 177.584 0.104 0.000 1.181 518 A CA 1.805 53.922 52.037 0.132 0.000 0.627 518 A CB -0.860 18.210 19.000 0.117 0.000 0.818 518 A HN 0.416 nan 8.150 nan 0.000 0.445 519 A N -1.144 121.718 122.820 0.071 0.000 1.933 519 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 519 A C 2.283 179.906 177.584 0.066 0.000 1.175 519 A CA 2.247 54.317 52.037 0.054 0.000 0.628 519 A CB -1.271 17.752 19.000 0.038 0.000 0.814 519 A HN 0.435 nan 8.150 nan 0.000 0.444 520 T N -0.718 113.879 114.554 0.071 0.000 2.759 520 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 520 T C 1.890 176.640 174.700 0.085 0.000 1.042 520 T CA 1.587 63.742 62.100 0.093 0.000 1.140 520 T CB -0.691 68.176 68.868 -0.002 0.000 0.864 520 T HN 0.586 nan 8.240 nan 0.000 0.455 521 C N 1.266 120.593 119.300 0.046 0.000 2.432 521 C HA 0.033 4.493 4.460 -0.000 0.000 0.277 521 C C 3.105 178.094 174.990 -0.002 0.000 1.249 521 C CA 0.526 59.529 59.018 -0.024 0.000 1.725 521 C CB -1.516 26.232 27.740 0.012 0.000 2.028 521 C HN 0.729 nan 8.230 nan 0.000 0.477 522 G N 0.090 108.941 108.800 0.084 0.000 2.421 522 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 522 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 522 G C 1.627 176.572 174.900 0.074 0.000 1.171 522 G CA 1.130 46.318 45.100 0.146 0.000 0.775 522 G HN 0.635 nan 8.290 nan 0.000 0.543 523 K N -0.792 119.617 120.400 0.014 0.000 2.009 523 K HA -0.126 4.193 4.320 -0.000 0.000 0.210 523 K C 2.254 178.707 176.600 -0.244 0.000 1.049 523 K CA 1.430 57.657 56.287 -0.100 0.000 0.929 523 K CB -0.292 32.157 32.500 -0.086 0.000 0.714 523 K HN 0.400 nan 8.250 nan 0.000 0.440 524 Y N 0.737 120.846 120.300 -0.317 0.000 2.201 524 Y HA -0.004 4.546 4.550 -0.000 0.000 0.292 524 Y C 2.085 177.685 175.900 -0.500 0.000 1.119 524 Y CA 0.788 58.514 58.100 -0.623 0.000 1.127 524 Y CB -0.254 37.523 38.460 -1.139 0.000 1.019 524 Y HN -0.048 nan 8.280 nan 0.000 0.514 525 L N -1.584 119.482 121.223 -0.260 0.000 2.191 525 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 525 L C 0.688 177.277 176.870 -0.470 0.000 1.103 525 L CA 1.419 56.050 54.840 -0.348 0.000 0.769 525 L CB -0.404 41.196 42.059 -0.765 0.000 0.908 525 L HN 0.190 nan 8.230 nan 0.000 0.438 526 F N -1.738 118.167 119.950 -0.074 0.000 2.735 526 F HA 0.183 4.709 4.527 -0.000 0.000 0.304 526 F C 1.651 177.127 175.800 -0.541 0.000 1.119 526 F CA -0.357 57.398 58.000 -0.408 0.000 1.280 526 F CB -0.722 38.042 39.000 -0.393 0.000 0.994 526 F HN 0.006 nan 8.300 nan 0.000 0.520 527 N N 0.936 119.553 118.700 -0.138 0.000 2.364 527 N HA -0.167 4.573 4.740 -0.000 0.000 0.183 527 N C 1.848 177.319 175.510 -0.064 0.000 1.022 527 N CA 1.339 54.325 53.050 -0.107 0.000 0.883 527 N CB -0.055 38.394 38.487 -0.063 0.000 0.965 527 N HN 0.583 nan 8.380 nan 0.000 0.438 528 W N -0.024 121.327 121.300 0.085 0.000 2.525 528 W HA 0.141 4.801 4.660 0.000 0.000 0.259 528 W C 1.201 177.785 176.519 0.108 0.000 1.253 528 W CA 0.463 57.866 57.345 0.098 0.000 1.262 528 W CB -0.504 29.026 29.460 0.116 0.000 1.122 528 W HN -0.020 nan 8.180 nan 0.000 0.607 529 A N 1.386 123.799 122.820 -0.677 0.000 2.238 529 A HA 0.273 4.593 4.320 -0.000 0.000 0.210 529 A C 0.852 178.294 177.584 -0.237 0.000 1.179 529 A CA 0.830 52.505 52.037 -0.603 0.000 0.827 529 A CB -0.673 17.697 19.000 -1.049 0.000 0.856 529 A HN 0.109 nan 8.150 nan 0.000 0.488 530 V N -3.608 116.206 119.914 -0.168 0.000 2.667 530 V HA 0.460 4.580 4.120 -0.000 0.000 0.308 530 V C 0.730 176.798 176.094 -0.043 0.000 1.048 530 V CA -0.898 61.343 62.300 -0.099 0.000 0.928 530 V CB 1.578 33.334 31.823 -0.112 0.000 1.004 530 V HN 0.277 nan 8.190 nan 0.000 0.444 531 K N 1.216 121.598 120.400 -0.031 0.000 1.984 531 K HA 0.001 4.321 4.320 -0.000 0.000 0.209 531 K C 0.787 177.373 176.600 -0.025 0.000 1.046 531 K CA 1.741 58.019 56.287 -0.016 0.000 0.934 531 K CB -0.271 32.221 32.500 -0.013 0.000 0.717 531 K HN 0.811 nan 8.250 nan 0.000 0.438 532 T N 3.595 118.128 114.554 -0.034 0.000 3.185 532 T HA 0.089 4.439 4.350 -0.000 0.000 0.287 532 T C -0.236 174.436 174.700 -0.047 0.000 1.051 532 T CA -0.208 61.870 62.100 -0.037 0.000 1.051 532 T CB 0.158 69.004 68.868 -0.037 0.000 1.034 532 T HN 0.007 nan 8.240 nan 0.000 0.685 533 K N 2.295 122.669 120.400 -0.042 0.000 2.397 533 K HA 0.194 4.514 4.320 -0.000 0.000 0.265 533 K C 0.160 176.721 176.600 -0.066 0.000 0.982 533 K CA -0.342 55.915 56.287 -0.050 0.000 0.931 533 K CB 0.440 32.921 32.500 -0.031 0.000 0.943 533 K HN 0.244 nan 8.250 nan 0.000 0.501 534 L N 1.449 122.616 121.223 -0.095 0.000 2.365 534 L HA 0.212 4.552 4.340 -0.000 0.000 0.267 534 L C 1.816 178.613 176.870 -0.122 0.000 1.033 534 L CA -0.218 54.553 54.840 -0.114 0.000 0.802 534 L CB 0.672 42.638 42.059 -0.155 0.000 1.267 534 L HN 0.629 nan 8.230 nan 0.000 0.457 535 K N 0.792 121.125 120.400 -0.113 0.000 1.981 535 K HA -0.170 4.150 4.320 -0.000 0.000 0.228 535 K C -0.449 176.078 176.600 -0.121 0.000 1.050 535 K CA 1.039 57.271 56.287 -0.092 0.000 1.001 535 K CB -0.603 31.855 32.500 -0.069 0.000 0.738 535 K HN 0.190 nan 8.250 nan 0.000 0.447 536 L N 1.807 122.897 121.223 -0.222 0.000 2.805 536 L HA -0.138 4.202 4.340 -0.000 0.000 0.688 536 L C -0.532 176.345 176.870 0.012 0.000 1.050 536 L CA 1.328 55.995 54.840 -0.290 0.000 1.362 536 L CB -1.983 39.918 42.059 -0.263 0.000 1.968 536 L HN 0.882 nan 8.230 nan 0.000 0.923 537 T N 0.434 115.068 114.554 0.132 0.000 2.907 537 T HA 0.897 5.247 4.350 -0.000 0.000 0.290 537 T C -2.666 172.168 174.700 0.223 0.000 1.066 537 T CA -2.356 59.836 62.100 0.154 0.000 1.012 537 T CB 2.142 71.065 68.868 0.091 0.000 1.184 537 T HN 0.127 nan 8.240 nan 0.000 0.522 538 P HA 0.122 nan 4.420 nan 0.000 0.263 538 P C -0.643 176.691 177.300 0.057 0.000 1.168 538 P CA 0.184 63.343 63.100 0.098 0.000 0.759 538 P CB 0.095 31.831 31.700 0.061 0.000 0.782 539 I N 6.243 126.801 120.570 -0.020 0.000 2.325 539 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 539 I C -1.238 174.847 176.117 -0.053 0.000 1.019 539 I CA -2.009 59.233 61.300 -0.096 0.000 1.302 539 I CB 1.374 39.222 38.000 -0.253 0.000 1.401 539 I HN 0.319 nan 8.210 nan 0.000 0.485 540 P HA -0.245 nan 4.420 nan 0.000 0.216 540 P C 1.387 178.667 177.300 -0.033 0.000 1.154 540 P CA 1.295 64.382 63.100 -0.022 0.000 0.865 540 P CB 0.273 31.965 31.700 -0.013 0.000 0.789 541 A N -0.452 122.341 122.820 -0.045 0.000 2.067 541 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 541 A C 2.238 179.789 177.584 -0.055 0.000 1.158 541 A CA 1.517 53.528 52.037 -0.045 0.000 0.661 541 A CB -1.394 17.580 19.000 -0.045 0.000 0.801 541 A HN 0.192 nan 8.150 nan 0.000 0.452 542 A N 0.545 123.326 122.820 -0.064 0.000 1.978 542 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 542 A C 2.451 179.995 177.584 -0.067 0.000 1.170 542 A CA 2.180 54.175 52.037 -0.069 0.000 0.636 542 A CB -0.792 18.172 19.000 -0.060 0.000 0.810 542 A HN 0.967 nan 8.150 nan 0.000 0.448 543 S N 0.196 115.865 115.700 -0.051 0.000 2.436 543 S HA -0.198 4.272 4.470 -0.000 0.000 0.228 543 S C 1.889 176.458 174.600 -0.051 0.000 1.014 543 S CA 0.972 59.144 58.200 -0.047 0.000 0.950 543 S CB -0.554 62.628 63.200 -0.031 0.000 0.784 543 S HN 0.838 nan 8.310 nan 0.000 0.504 544 Q N 0.611 120.382 119.800 -0.048 0.000 2.472 544 Q HA 0.242 4.582 4.340 -0.000 0.000 0.208 544 Q C 0.363 176.328 176.000 -0.057 0.000 0.958 544 Q CA 0.052 55.828 55.803 -0.044 0.000 0.932 544 Q CB -0.509 28.210 28.738 -0.032 0.000 1.007 544 Q HN 0.484 nan 8.270 nan 0.000 0.508 545 L N 2.671 123.845 121.223 -0.082 0.000 2.410 545 L HA 0.100 4.439 4.340 -0.000 0.000 0.273 545 L C 0.067 176.854 176.870 -0.138 0.000 1.144 545 L CA -0.230 54.541 54.840 -0.115 0.000 0.863 545 L CB 0.534 42.495 42.059 -0.163 0.000 1.140 545 L HN 0.180 nan 8.230 nan 0.000 0.463 546 D N 4.918 125.247 120.400 -0.119 0.000 2.441 546 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 546 D C -0.191 175.996 176.300 -0.188 0.000 1.156 546 D CA -0.375 53.560 54.000 -0.109 0.000 0.896 546 D CB 1.049 41.821 40.800 -0.047 0.000 1.028 546 D HN 0.237 nan 8.370 nan 0.000 0.509 547 L N 3.436 124.484 121.223 -0.291 0.000 3.036 547 L HA 0.123 4.463 4.340 -0.000 0.000 0.237 547 L C 0.571 177.319 176.870 -0.203 0.000 1.319 547 L CA -0.249 54.265 54.840 -0.544 0.000 1.112 547 L CB -0.215 41.416 42.059 -0.714 0.000 1.480 547 L HN 0.224 nan 8.230 nan 0.000 0.506 548 S N -1.547 114.131 115.700 -0.036 0.000 2.499 548 S HA 0.678 5.147 4.470 -0.000 0.000 0.279 548 S C 1.154 175.825 174.600 0.118 0.000 1.219 548 S CA 0.022 58.245 58.200 0.039 0.000 1.062 548 S CB 1.582 64.787 63.200 0.008 0.000 0.978 548 S HN 0.589 nan 8.310 nan 0.000 0.489 549 G N 2.070 110.950 108.800 0.134 0.000 2.175 549 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 549 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 549 G C 0.422 175.497 174.900 0.292 0.000 0.982 549 G CA 0.193 45.373 45.100 0.134 0.000 0.641 549 G HN 0.690 nan 8.290 nan 0.000 0.527 550 W N -0.027 121.214 121.300 -0.098 0.000 2.409 550 W HA 0.471 5.131 4.660 -0.000 0.000 0.299 550 W C 1.093 177.225 176.519 -0.644 0.000 1.203 550 W CA 1.281 58.341 57.345 -0.475 0.000 1.298 550 W CB -0.146 28.781 29.460 -0.887 0.000 1.127 550 W HN 0.199 nan 8.180 nan 0.000 0.528 551 F N -0.726 119.436 119.950 0.353 0.000 2.542 551 F HA 0.306 4.833 4.527 -0.000 0.000 0.323 551 F C 0.466 176.424 175.800 0.263 0.000 1.411 551 F CA -0.639 57.563 58.000 0.336 0.000 1.124 551 F CB -0.222 38.934 39.000 0.259 0.000 1.331 551 F HN -0.390 nan 8.300 nan 0.000 0.560 552 V N -0.125 120.014 119.914 0.375 0.000 2.854 552 V HA 0.629 4.749 4.120 -0.000 0.000 0.236 552 V C 0.915 177.158 176.094 0.248 0.000 1.157 552 V CA 0.695 63.151 62.300 0.259 0.000 1.187 552 V CB 0.447 32.398 31.823 0.213 0.000 0.949 552 V HN 0.399 nan 8.190 nan 0.000 0.488 553 A N -0.695 122.233 122.820 0.179 0.000 2.593 553 A HA 0.794 5.114 4.320 -0.000 0.000 0.290 553 A C -0.280 176.965 177.584 -0.566 0.000 1.126 553 A CA 0.071 52.056 52.037 -0.087 0.000 0.695 553 A CB 1.097 19.898 19.000 -0.333 0.000 1.290 553 A HN 0.405 nan 8.150 nan 0.000 0.414 554 G N -1.369 106.811 108.800 -1.033 0.000 2.367 554 G HA2 0.544 4.504 3.960 -0.000 0.000 0.314 554 G HA3 0.544 4.504 3.960 -0.000 0.000 0.314 554 G C -0.946 173.295 174.900 -1.099 0.000 1.130 554 G CA -0.085 44.065 45.100 -1.584 0.000 0.864 554 G HN 0.592 nan 8.290 nan 0.000 0.486 555 Y N 0.767 120.843 120.300 -0.372 0.000 2.768 555 Y HA 0.296 4.846 4.550 -0.000 0.000 0.249 555 Y C 1.290 177.101 175.900 -0.148 0.000 1.146 555 Y CA -0.816 57.165 58.100 -0.198 0.000 1.171 555 Y CB 0.502 38.870 38.460 -0.154 0.000 1.249 555 Y HN 0.507 nan 8.280 nan 0.000 0.567 556 S N 0.790 116.451 115.700 -0.065 0.000 2.575 556 S HA 0.315 4.784 4.470 -0.000 0.000 0.295 556 S C 1.470 176.084 174.600 0.024 0.000 1.267 556 S CA 1.475 59.671 58.200 -0.006 0.000 1.074 556 S CB 0.031 63.233 63.200 0.003 0.000 0.829 556 S HN 1.062 nan 8.310 nan 0.000 0.497 557 G N 3.628 112.446 108.800 0.029 0.000 2.184 557 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.264 557 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.264 557 G C 0.895 175.824 174.900 0.048 0.000 0.975 557 G CA 0.456 45.580 45.100 0.040 0.000 0.642 557 G HN 1.342 nan 8.290 nan 0.000 0.536 558 G N -0.042 108.790 108.800 0.054 0.000 2.920 558 G HA2 0.340 4.300 3.960 -0.000 0.000 0.208 558 G HA3 0.340 4.300 3.960 -0.000 0.000 0.208 558 G C 0.547 175.468 174.900 0.035 0.000 1.159 558 G CA 1.169 46.317 45.100 0.081 0.000 0.784 558 G HN 1.346 nan 8.290 nan 0.000 0.535 559 D N -0.599 119.791 120.400 -0.017 0.000 2.705 559 D HA -0.164 4.476 4.640 -0.000 0.000 0.240 559 D C -0.206 176.037 176.300 -0.095 0.000 1.137 559 D CA 0.321 54.287 54.000 -0.056 0.000 0.677 559 D CB -1.205 39.577 40.800 -0.031 0.000 1.049 559 D HN 0.099 nan 8.370 nan 0.000 0.427 560 I N 1.459 121.929 120.570 -0.168 0.000 2.404 560 I HA 0.359 4.529 4.170 -0.000 0.000 0.293 560 I C -0.153 175.740 176.117 -0.372 0.000 0.992 560 I CA -0.787 60.315 61.300 -0.331 0.000 1.149 560 I CB 1.281 38.912 38.000 -0.616 0.000 1.315 560 I HN 0.118 nan 8.210 nan 0.000 0.446 561 Y N 5.523 125.541 120.300 -0.471 0.000 2.350 561 Y HA 0.404 4.953 4.550 -0.000 0.000 0.338 561 Y C -0.486 175.174 175.900 -0.400 0.000 0.961 561 Y CA -0.528 57.310 58.100 -0.436 0.000 1.100 561 Y CB 1.120 39.425 38.460 -0.259 0.000 1.179 561 Y HN 0.523 nan 8.280 nan 0.000 0.454 562 H N 4.865 123.296 119.070 -1.065 0.000 2.486 562 H HA 0.288 4.844 4.556 -0.000 0.000 0.239 562 H C 0.420 175.267 175.328 -0.802 0.000 1.480 562 H CA -0.289 55.260 56.048 -0.832 0.000 1.324 562 H CB 0.485 29.701 29.762 -0.910 0.000 1.486 562 H HN 0.924 nan 8.280 nan 0.000 0.544 563 S N 0.000 115.391 115.700 -0.516 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.055 58.200 -0.242 0.000 1.107 563 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517