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 3l4x_1_A DATA FIRST_RESID 7 DATA SEQUENCE VNELERINcI PDQPPTKATC DQRGcCWNPQ GAVSVPWCYY SKNHSYHVEG DATA SEQUENCE NLVNTNAGFT ARLKNLPSSP VFGSNVDNVL LTAEYQTSNR FHFKLTDQTN DATA SEQUENCE NRFEVPHEHV QSFSGNAAAS LTYQVEISRQ PFSIKVTRRS NNRVLFDSSI DATA SEQUENCE GPLLFADQFL QLSTRLPSTN VYGLGEHVHQ QYRHDMNWKT WPIFNRDTTP DATA SEQUENCE NGNGTNLYGA QTFFLCLEDA SGLSFGVFLM NSNAMEVVLQ PAPAITYRTI DATA SEQUENCE GGILDFYVFL GNTPEQVVQE YLELIGRPAL PSYWALGFHL SRYEYGTLDN DATA SEQUENCE MREVVERNRA AQLPYDVQHA DIDYMDERRD FTYDSVDFKG FPEFVNELHN DATA SEQUENCE NGQKLVIIVD PAISNNSSSS KPYGPYDRGS DMKIWVNSSD GVTPLIGEVW DATA SEQUENCE PGQTVFPDYT NPNCAVWWTK EFELFHNQVE FDGIWIDMNE VSNFVDGSVS DATA SEQUENCE GCSTNNLNNP PFTPRILDGY LFCKTLCMDA VQHWGKQYDI HNLYGYSMAV DATA SEQUENCE ATAEAAKTVF PNKRSFILTR STFAGSGKFA AHWLGDNTAT WDDLRWSIPG DATA SEQUENCE VLEFNLFGIP MVGPDIcGFA LDTPEELcRR WMQLGAFYPF SRNHNGQGYK DATA SEQUENCE DQDPASFGAD SLLLNSSRHY LNIRYTLLPY LYTLFFRAHS RGDTVARPLL DATA SEQUENCE HEFYEDNSTW DVHQQFLWGP GLLITPVLDE GAEKVMAYVP DAVWYDYETG DATA SEQUENCE SQVRWRKQKV EMELPGDKIG LHLRGGYIFP TQQPNTTTLA SRKNPLGLII DATA SEQUENCE ALDENKEAKG ELFWDDGETK DTVANKVYLL CEFSVTQNRL EVNISQSTYK DATA SEQUENCE DPNNLAFNEI KILGTEEPSN VTVKHNGVPS XTSPTVTYDS NLKVAIITDI DATA SEQUENCE DLLLGEAYTV EWAH 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.061 176.094 -0.055 0.000 1.182 7 V CA 0.000 62.306 62.300 0.009 0.000 1.235 7 V CB 0.000 31.859 31.823 0.059 0.000 1.184 8 N N 3.377 122.056 118.700 -0.034 0.000 1.935 8 N HA -0.147 4.605 4.740 0.020 0.000 0.304 8 N C 1.506 176.981 175.510 -0.058 0.000 1.286 8 N CA 1.481 54.509 53.050 -0.036 0.000 0.798 8 N CB 0.950 39.423 38.487 -0.022 0.000 1.028 8 N HN 0.941 nan 8.380 nan 0.000 0.494 9 E N 3.858 124.029 120.200 -0.047 0.000 2.268 9 E HA -0.154 4.208 4.350 0.020 0.000 0.195 9 E C 1.392 178.057 176.600 0.108 0.000 0.995 9 E CA 0.777 57.146 56.400 -0.052 0.000 0.836 9 E CB -0.189 29.478 29.700 -0.056 0.000 0.763 9 E HN 0.662 nan 8.360 nan 0.000 0.491 10 L N 0.669 121.964 121.223 0.119 0.000 2.376 10 L HA -0.034 4.318 4.340 0.020 0.000 0.219 10 L C 1.693 178.578 176.870 0.024 0.000 1.133 10 L CA 0.970 55.892 54.840 0.137 0.000 0.816 10 L CB -0.260 41.794 42.059 -0.008 0.000 0.933 10 L HN 0.151 nan 8.230 nan 0.000 0.449 11 E N -0.141 120.068 120.200 0.016 0.000 2.474 11 E HA 0.083 4.445 4.350 0.020 0.000 0.195 11 E C 0.194 176.814 176.600 0.033 0.000 1.039 11 E CA -0.260 56.135 56.400 -0.009 0.000 0.881 11 E CB 0.432 30.118 29.700 -0.023 0.000 0.970 11 E HN 0.393 nan 8.360 nan 0.000 0.486 12 R N 1.313 121.834 120.500 0.035 0.000 2.537 12 R HA 0.146 4.498 4.340 0.020 0.000 0.280 12 R C -0.144 176.274 176.300 0.198 0.000 1.058 12 R CA 0.130 56.224 56.100 -0.011 0.000 1.057 12 R CB 0.753 30.847 30.300 -0.344 0.000 0.973 12 R HN -0.023 nan 8.270 nan 0.000 0.438 13 I N 3.083 123.813 120.570 0.267 0.000 2.330 13 I HA 0.062 4.244 4.170 0.020 0.000 0.289 13 I C 0.158 176.469 176.117 0.323 0.000 1.001 13 I CA -1.055 60.435 61.300 0.316 0.000 1.193 13 I CB 0.922 39.127 38.000 0.343 0.000 1.345 13 I HN 0.550 nan 8.210 nan 0.000 0.461 14 N N 4.731 123.576 118.700 0.241 0.000 2.411 14 N HA -0.091 4.661 4.740 0.020 0.000 0.265 14 N C 0.776 176.269 175.510 -0.030 0.000 1.266 14 N CA 0.364 53.482 53.050 0.113 0.000 0.889 14 N CB 0.586 39.141 38.487 0.114 0.000 1.069 14 N HN 0.747 nan 8.380 nan 0.000 0.476 15 c N 4.652 123.058 118.600 -0.323 0.000 2.799 15 c HA 0.412 4.994 4.570 0.020 0.000 0.267 15 c C 0.581 174.531 174.090 -0.232 0.000 1.257 15 c CA -0.345 55.540 56.329 -0.741 0.000 1.702 15 c CB -1.101 40.826 42.510 -0.973 0.000 1.934 15 c HN 0.712 nan 8.230 nan 0.000 0.594 16 I N 2.476 123.011 120.570 -0.059 0.000 2.833 16 I HA 0.262 4.444 4.170 0.020 0.000 0.286 16 I C -1.718 174.455 176.117 0.094 0.000 1.287 16 I CA -1.101 60.221 61.300 0.035 0.000 1.046 16 I CB 1.027 39.055 38.000 0.047 0.000 1.612 16 I HN 0.090 nan 8.210 nan 0.000 0.585 17 P HA -0.044 nan 4.420 nan 0.000 0.241 17 P C 0.403 177.881 177.300 0.298 0.000 1.191 17 P CA 0.994 64.221 63.100 0.211 0.000 0.771 17 P CB 0.263 32.093 31.700 0.218 0.000 0.929 18 D N -1.094 119.498 120.400 0.319 0.000 2.407 18 D HA 0.019 4.671 4.640 0.020 0.000 0.208 18 D C 0.801 177.192 176.300 0.151 0.000 1.083 18 D CA 0.256 54.458 54.000 0.336 0.000 0.844 18 D CB 0.306 41.430 40.800 0.540 0.000 0.967 18 D HN 0.352 nan 8.370 nan 0.000 0.506 19 Q N -0.487 119.374 119.800 0.102 0.000 2.630 19 Q HA 0.477 4.829 4.340 0.020 0.000 0.295 19 Q C -3.254 172.753 176.000 0.012 0.000 0.944 19 Q CA -1.767 54.061 55.803 0.043 0.000 0.766 19 Q CB 0.746 29.512 28.738 0.046 0.000 1.471 19 Q HN -0.313 nan 8.270 nan 0.000 0.416 20 P HA 0.152 nan 4.420 nan 0.000 0.264 20 P C -2.396 174.918 177.300 0.023 0.000 1.193 20 P CA -0.468 62.612 63.100 -0.032 0.000 0.763 20 P CB -0.164 31.521 31.700 -0.025 0.000 0.810 21 P HA 0.078 nan 4.420 nan 0.000 0.271 21 P C -0.577 176.956 177.300 0.388 0.000 1.220 21 P CA 0.158 63.397 63.100 0.231 0.000 0.768 21 P CB 0.523 32.385 31.700 0.271 0.000 0.848 22 T N -1.100 113.570 114.554 0.195 0.000 2.900 22 T HA 0.315 4.677 4.350 0.020 0.000 0.295 22 T C 0.910 175.208 174.700 -0.669 0.000 1.044 22 T CA -0.934 61.101 62.100 -0.108 0.000 0.995 22 T CB 2.301 71.115 68.868 -0.090 0.000 1.072 22 T HN 0.273 nan 8.240 nan 0.000 0.473 23 K N 0.857 120.487 120.400 -1.283 0.000 2.147 23 K HA -0.029 4.303 4.320 0.020 0.000 0.205 23 K C 2.323 178.552 176.600 -0.618 0.000 1.049 23 K CA 1.347 56.773 56.287 -1.435 0.000 0.936 23 K CB -0.667 31.001 32.500 -1.386 0.000 0.722 23 K HN 0.734 nan 8.250 nan 0.000 0.446 24 A N 0.396 122.971 122.820 -0.408 0.000 1.877 24 A HA -0.152 4.180 4.320 0.020 0.000 0.216 24 A C 2.188 179.658 177.584 -0.189 0.000 1.186 24 A CA 2.214 54.106 52.037 -0.242 0.000 0.620 24 A CB -1.019 17.880 19.000 -0.169 0.000 0.822 24 A HN 0.380 nan 8.150 nan 0.000 0.443 25 T N -1.201 113.249 114.554 -0.172 0.000 2.777 25 T HA -0.166 4.196 4.350 0.020 0.000 0.266 25 T C 1.963 176.594 174.700 -0.115 0.000 1.040 25 T CA 1.314 63.343 62.100 -0.118 0.000 1.141 25 T CB -0.738 68.083 68.868 -0.079 0.000 0.868 25 T HN 0.634 nan 8.240 nan 0.000 0.444 26 C N 1.845 121.064 119.300 -0.134 0.000 2.413 26 C HA -0.154 4.318 4.460 0.020 0.000 0.276 26 C C 2.408 177.344 174.990 -0.091 0.000 1.236 26 C CA 1.196 60.168 59.018 -0.076 0.000 1.735 26 C CB -1.153 26.585 27.740 -0.004 0.000 2.031 26 C HN 0.499 nan 8.230 nan 0.000 0.474 27 D N -0.404 119.913 120.400 -0.139 0.000 2.117 27 D HA -0.172 4.480 4.640 0.020 0.000 0.197 27 D C 2.193 178.447 176.300 -0.076 0.000 0.987 27 D CA 1.408 55.345 54.000 -0.105 0.000 0.829 27 D CB -0.745 39.975 40.800 -0.133 0.000 0.961 27 D HN 0.724 nan 8.370 nan 0.000 0.460 28 Q N 0.421 120.170 119.800 -0.085 0.000 2.181 28 Q HA -0.125 4.227 4.340 0.020 0.000 0.205 28 Q C 1.605 177.576 176.000 -0.048 0.000 0.980 28 Q CA 1.099 56.861 55.803 -0.068 0.000 0.862 28 Q CB 0.154 28.843 28.738 -0.080 0.000 0.905 28 Q HN 0.206 nan 8.270 nan 0.000 0.429 29 R N -1.158 119.316 120.500 -0.043 0.000 2.300 29 R HA 0.104 4.456 4.340 0.020 0.000 0.199 29 R C 0.853 177.205 176.300 0.087 0.000 0.920 29 R CA 0.505 56.606 56.100 0.002 0.000 1.046 29 R CB 0.441 30.713 30.300 -0.048 0.000 0.984 29 R HN 0.404 nan 8.270 nan 0.000 0.493 30 G N 1.292 110.115 108.800 0.038 0.000 2.221 30 G HA2 -0.294 3.678 3.960 0.020 0.000 0.265 30 G HA3 -0.294 3.678 3.960 0.020 0.000 0.265 30 G C 0.161 175.110 174.900 0.082 0.000 1.041 30 G CA 0.122 45.258 45.100 0.061 0.000 0.807 30 G HN 0.335 nan 8.290 nan 0.000 0.502 31 c N -1.031 117.569 118.600 -0.001 0.000 2.484 31 c HA 0.776 5.358 4.570 0.020 0.000 0.409 31 c C 1.311 175.314 174.090 -0.145 0.000 1.434 31 c CA -0.513 55.762 56.329 -0.090 0.000 1.913 31 c CB 1.258 43.639 42.510 -0.215 0.000 2.028 31 c HN 0.702 nan 8.230 nan 0.000 0.516 32 C N 1.255 120.334 119.300 -0.368 0.000 2.365 32 C HA 0.494 4.966 4.460 0.020 0.000 0.351 32 C C -0.270 174.528 174.990 -0.320 0.000 1.240 32 C CA -0.620 58.120 59.018 -0.465 0.000 2.062 32 C CB -0.124 27.049 27.740 -0.946 0.000 2.387 32 C HN 0.862 nan 8.230 nan 0.000 0.537 33 W N 4.759 125.913 121.300 -0.243 0.000 2.417 33 W HA 0.438 5.110 4.660 0.020 0.000 0.315 33 W C -0.676 175.833 176.519 -0.017 0.000 1.045 33 W CA -0.113 57.177 57.345 -0.093 0.000 1.221 33 W CB 1.043 30.458 29.460 -0.075 0.000 1.309 33 W HN 0.734 nan 8.180 nan 0.000 0.453 34 N N 7.646 126.007 118.700 -0.564 0.000 2.793 34 N HA 0.176 4.928 4.740 0.020 0.000 0.251 34 N C -2.464 172.568 175.510 -0.797 0.000 1.308 34 N CA -1.273 51.480 53.050 -0.496 0.000 0.781 34 N CB 1.530 39.975 38.487 -0.071 0.000 1.439 34 N HN 0.070 nan 8.380 nan 0.000 0.562 35 P HA 0.078 nan 4.420 nan 0.000 0.245 35 P C 0.490 177.101 177.300 -1.148 0.000 1.212 35 P CA 0.575 62.565 63.100 -1.849 0.000 0.774 35 P CB 0.415 30.947 31.700 -1.947 0.000 0.999 36 Q N -0.341 119.095 119.800 -0.607 0.000 2.365 36 Q HA 0.191 4.543 4.340 0.020 0.000 0.203 36 Q C 1.188 177.068 176.000 -0.199 0.000 0.929 36 Q CA 0.091 55.691 55.803 -0.340 0.000 0.948 36 Q CB -0.357 28.240 28.738 -0.235 0.000 1.043 36 Q HN 0.174 nan 8.270 nan 0.000 0.505 37 G N 0.363 109.060 108.800 -0.172 0.000 2.621 37 G HA2 0.466 4.438 3.960 0.020 0.000 0.271 37 G HA3 0.466 4.438 3.960 0.020 0.000 0.271 37 G C -0.207 174.674 174.900 -0.033 0.000 1.236 37 G CA 0.007 45.056 45.100 -0.085 0.000 0.958 37 G HN 0.303 nan 8.290 nan 0.000 0.512 38 A N -1.159 121.639 122.820 -0.038 0.000 2.310 38 A HA 0.488 4.820 4.320 0.020 0.000 0.260 38 A C 0.801 178.343 177.584 -0.070 0.000 1.112 38 A CA -0.217 51.804 52.037 -0.026 0.000 0.804 38 A CB 0.353 19.354 19.000 0.001 0.000 1.081 38 A HN 1.528 nan 8.150 nan 0.000 0.499 39 V N 0.911 120.788 119.914 -0.061 0.000 2.752 39 V HA 0.192 4.324 4.120 0.020 0.000 0.306 39 V C 1.005 176.930 176.094 -0.281 0.000 1.099 39 V CA 2.013 64.242 62.300 -0.118 0.000 1.240 39 V CB 0.100 31.883 31.823 -0.067 0.000 0.887 39 V HN 1.618 nan 8.190 nan 0.000 0.499 40 S N 1.456 116.920 115.700 -0.393 0.000 2.524 40 S HA -0.178 4.304 4.470 0.020 0.000 0.254 40 S C 0.206 174.091 174.600 -1.192 0.000 1.258 40 S CA 0.880 58.701 58.200 -0.632 0.000 1.448 40 S CB -1.682 61.245 63.200 -0.455 0.000 1.806 40 S HN 1.058 nan 8.310 nan 0.000 0.630 41 V N 4.266 123.551 119.914 -1.047 0.000 2.540 41 V HA 0.180 4.312 4.120 0.020 0.000 0.297 41 V C -1.873 173.868 176.094 -0.589 0.000 1.024 41 V CA -0.861 60.816 62.300 -1.037 0.000 1.105 41 V CB 0.111 31.670 31.823 -0.439 0.000 0.938 41 V HN 0.117 nan 8.190 nan 0.000 0.482 42 P HA 0.034 nan 4.420 nan 0.000 0.267 42 P C -0.077 177.251 177.300 0.046 0.000 1.209 42 P CA -0.075 62.902 63.100 -0.205 0.000 0.763 42 P CB 0.373 32.035 31.700 -0.063 0.000 0.816 43 W N 2.244 123.406 121.300 -0.230 0.000 2.436 43 W HA 0.021 4.693 4.660 0.020 0.000 0.284 43 W C 0.854 177.239 176.519 -0.224 0.000 1.225 43 W CA 0.029 57.145 57.345 -0.382 0.000 1.271 43 W CB -0.680 28.435 29.460 -0.576 0.000 1.114 43 W HN 0.257 nan 8.180 nan 0.000 0.559 44 C N 1.544 120.992 119.300 0.247 0.000 2.319 44 C HA 0.669 5.141 4.460 0.020 0.000 0.323 44 C C -0.657 174.411 174.990 0.130 0.000 1.277 44 C CA -0.821 58.339 59.018 0.238 0.000 1.517 44 C CB -1.156 26.780 27.740 0.327 0.000 2.206 44 C HN 0.226 nan 8.230 nan 0.000 0.486 45 Y N 2.932 123.202 120.300 -0.050 0.000 2.588 45 Y HA 0.688 5.250 4.550 0.020 0.000 0.343 45 Y C -1.280 174.557 175.900 -0.106 0.000 1.065 45 Y CA -1.529 56.509 58.100 -0.103 0.000 1.038 45 Y CB 0.308 38.774 38.460 0.009 0.000 1.297 45 Y HN 0.596 nan 8.280 nan 0.000 0.467 46 Y N 1.931 122.304 120.300 0.121 0.000 2.497 46 Y HA 0.287 4.849 4.550 0.020 0.000 0.334 46 Y C 1.216 177.152 175.900 0.059 0.000 1.199 46 Y CA 0.481 58.583 58.100 0.004 0.000 1.425 46 Y CB 0.735 39.181 38.460 -0.024 0.000 1.291 46 Y HN 0.809 nan 8.280 nan 0.000 0.562 47 S N 1.502 117.326 115.700 0.207 0.000 2.634 47 S HA 0.200 4.682 4.470 0.020 0.000 0.261 47 S C 0.910 175.632 174.600 0.204 0.000 1.271 47 S CA -0.794 57.504 58.200 0.162 0.000 0.985 47 S CB 0.870 64.142 63.200 0.120 0.000 0.968 47 S HN 0.721 nan 8.310 nan 0.000 0.568 48 K N 0.250 120.743 120.400 0.154 0.000 2.362 48 K HA 0.108 4.440 4.320 0.020 0.000 0.200 48 K C 0.120 176.796 176.600 0.126 0.000 1.046 48 K CA 0.702 57.068 56.287 0.131 0.000 0.952 48 K CB -0.104 32.454 32.500 0.097 0.000 0.753 48 K HN 0.445 nan 8.250 nan 0.000 0.466 49 N N -0.338 118.447 118.700 0.141 0.000 2.685 49 N HA 0.017 4.769 4.740 0.020 0.000 0.252 49 N C -0.992 174.613 175.510 0.158 0.000 1.261 49 N CA 0.017 53.144 53.050 0.129 0.000 0.768 49 N CB 0.884 39.418 38.487 0.079 0.000 1.304 49 N HN 0.126 nan 8.380 nan 0.000 0.536 50 H N 0.026 119.154 119.070 0.097 0.000 2.681 50 H HA 0.199 4.767 4.556 0.020 0.000 0.268 50 H C 1.506 176.870 175.328 0.060 0.000 0.967 50 H CA 1.126 57.230 56.048 0.095 0.000 1.233 50 H CB 0.835 30.680 29.762 0.139 0.000 1.445 50 H HN 0.438 nan 8.280 nan 0.000 0.494 51 S N -1.449 114.333 115.700 0.137 0.000 3.200 51 S HA 0.236 4.718 4.470 0.020 0.000 0.173 51 S C -0.392 174.196 174.600 -0.019 0.000 0.768 51 S CA -0.505 57.785 58.200 0.151 0.000 1.018 51 S CB 0.428 63.849 63.200 0.368 0.000 0.769 51 S HN 0.136 nan 8.310 nan 0.000 0.736 52 Y N 1.659 122.063 120.300 0.174 0.000 2.524 52 Y HA 0.663 5.225 4.550 0.020 0.000 0.344 52 Y C -0.105 175.917 175.900 0.203 0.000 1.012 52 Y CA -0.797 57.373 58.100 0.116 0.000 1.068 52 Y CB 1.762 40.249 38.460 0.044 0.000 1.249 52 Y HN 0.821 nan 8.280 nan 0.000 0.468 53 H N -1.848 117.363 119.070 0.235 0.000 2.747 53 H HA 0.746 5.314 4.556 0.020 0.000 0.371 53 H C -1.503 173.924 175.328 0.166 0.000 1.161 53 H CA -1.355 54.810 56.048 0.194 0.000 1.167 53 H CB 0.810 30.636 29.762 0.107 0.000 1.732 53 H HN 0.360 nan 8.280 nan 0.000 0.544 54 V N 1.837 121.883 119.914 0.221 0.000 2.521 54 V HA 0.031 4.163 4.120 0.020 0.000 0.286 54 V C 0.337 176.512 176.094 0.135 0.000 1.034 54 V CA 0.047 62.419 62.300 0.120 0.000 1.045 54 V CB 0.550 32.470 31.823 0.162 0.000 0.974 54 V HN 0.822 nan 8.190 nan 0.000 0.480 55 E N 4.252 124.472 120.200 0.033 0.000 2.115 55 E HA 0.554 4.916 4.350 0.020 0.000 0.282 55 E C 0.444 177.076 176.600 0.054 0.000 0.987 55 E CA 0.915 57.355 56.400 0.068 0.000 0.797 55 E CB 0.752 30.453 29.700 0.002 0.000 1.086 55 E HN 0.996 nan 8.360 nan 0.000 0.397 56 G N 4.260 113.100 108.800 0.067 0.000 2.553 56 G HA2 -0.268 3.704 3.960 0.020 0.000 0.242 56 G HA3 -0.268 3.704 3.960 0.020 0.000 0.242 56 G C -0.512 174.411 174.900 0.038 0.000 1.277 56 G CA -0.318 44.808 45.100 0.044 0.000 0.910 56 G HN 0.623 nan 8.290 nan 0.000 0.576 57 N N -0.183 118.534 118.700 0.028 0.000 2.492 57 N HA 0.591 5.343 4.740 0.020 0.000 0.289 57 N C 0.253 175.779 175.510 0.027 0.000 1.133 57 N CA -0.651 52.412 53.050 0.021 0.000 0.961 57 N CB 1.147 39.643 38.487 0.015 0.000 1.186 57 N HN 0.490 nan 8.380 nan 0.000 0.493 58 L N 0.790 122.021 121.223 0.014 0.000 2.461 58 L HA 0.162 4.514 4.340 0.020 0.000 0.272 58 L C -0.005 176.899 176.870 0.057 0.000 1.197 58 L CA 0.089 54.950 54.840 0.035 0.000 0.836 58 L CB 0.415 42.426 42.059 -0.080 0.000 1.105 58 L HN 0.220 nan 8.230 nan 0.000 0.477 59 V N 3.102 123.084 119.914 0.114 0.000 2.409 59 V HA 0.342 4.474 4.120 0.020 0.000 0.291 59 V C 0.077 176.270 176.094 0.164 0.000 1.020 59 V CA -1.145 61.219 62.300 0.107 0.000 0.848 59 V CB 1.383 33.255 31.823 0.082 0.000 0.990 59 V HN 0.678 nan 8.190 nan 0.000 0.430 60 N N 3.361 122.145 118.700 0.141 0.000 2.454 60 N HA 0.174 4.926 4.740 0.020 0.000 0.260 60 N C 0.297 175.889 175.510 0.136 0.000 1.218 60 N CA 0.268 53.419 53.050 0.170 0.000 0.904 60 N CB 1.420 39.986 38.487 0.133 0.000 1.065 60 N HN 0.895 nan 8.380 nan 0.000 0.462 61 T N -1.301 113.343 114.554 0.150 0.000 2.910 61 T HA 0.287 4.649 4.350 0.020 0.000 0.287 61 T C 0.991 175.766 174.700 0.126 0.000 1.050 61 T CA -0.842 61.322 62.100 0.107 0.000 1.011 61 T CB 1.145 70.060 68.868 0.078 0.000 1.195 61 T HN 0.355 nan 8.240 nan 0.000 0.540 62 N N 0.056 118.818 118.700 0.104 0.000 2.149 62 N HA -0.063 4.689 4.740 0.020 0.000 0.188 62 N C 1.962 177.584 175.510 0.186 0.000 1.019 62 N CA 1.111 54.231 53.050 0.117 0.000 0.857 62 N CB -0.195 38.335 38.487 0.072 0.000 0.997 62 N HN 0.743 nan 8.380 nan 0.000 0.426 63 A N -0.427 122.521 122.820 0.213 0.000 2.081 63 A HA 0.410 4.742 4.320 0.020 0.000 0.214 63 A C 1.366 179.090 177.584 0.235 0.000 1.158 63 A CA 1.296 53.534 52.037 0.335 0.000 0.724 63 A CB 0.093 19.344 19.000 0.419 0.000 0.826 63 A HN 0.420 nan 8.150 nan 0.000 0.463 64 G N -1.578 107.324 108.800 0.170 0.000 2.483 64 G HA2 0.402 4.374 3.960 0.020 0.000 0.090 64 G HA3 0.402 4.374 3.960 0.020 0.000 0.090 64 G C -0.480 174.552 174.900 0.219 0.000 0.984 64 G CA 0.111 45.276 45.100 0.107 0.000 1.325 64 G HN 1.077 nan 8.290 nan 0.000 0.561 65 F N 0.037 119.986 119.950 -0.001 0.000 2.741 65 F HA 0.802 5.341 4.527 0.020 0.000 0.311 65 F C -0.510 175.283 175.800 -0.013 0.000 1.149 65 F CA -0.361 57.653 58.000 0.023 0.000 0.930 65 F CB 1.384 40.417 39.000 0.056 0.000 1.312 65 F HN 0.730 nan 8.300 nan 0.000 0.450 66 T N -0.303 114.388 114.554 0.228 0.000 2.924 66 T HA 0.953 5.315 4.350 0.020 0.000 0.291 66 T C -0.929 173.910 174.700 0.231 0.000 1.045 66 T CA -0.469 61.703 62.100 0.119 0.000 1.015 66 T CB 1.680 70.560 68.868 0.020 0.000 1.103 66 T HN 1.680 nan 8.240 nan 0.000 0.496 67 A N 1.616 124.518 122.820 0.137 0.000 2.486 67 A HA 0.768 5.100 4.320 0.020 0.000 0.300 67 A C -0.551 177.024 177.584 -0.016 0.000 1.048 67 A CA -1.116 50.977 52.037 0.093 0.000 0.696 67 A CB 1.393 20.479 19.000 0.143 0.000 1.278 67 A HN 0.832 nan 8.150 nan 0.000 0.405 68 R N 1.296 121.780 120.500 -0.027 0.000 2.265 68 R HA 0.578 4.930 4.340 0.020 0.000 0.319 68 R C -1.069 175.167 176.300 -0.107 0.000 1.006 68 R CA -0.305 55.751 56.100 -0.075 0.000 0.880 68 R CB 1.017 31.287 30.300 -0.049 0.000 1.077 68 R HN 0.622 nan 8.270 nan 0.000 0.454 69 L N 2.810 123.931 121.223 -0.169 0.000 2.317 69 L HA 0.499 4.851 4.340 0.020 0.000 0.281 69 L C -0.111 176.715 176.870 -0.074 0.000 1.024 69 L CA -0.752 53.986 54.840 -0.171 0.000 0.810 69 L CB 1.642 43.490 42.059 -0.352 0.000 1.240 69 L HN 0.430 nan 8.230 nan 0.000 0.427 70 K N 2.155 122.439 120.400 -0.192 0.000 2.292 70 K HA 0.266 4.598 4.320 0.020 0.000 0.257 70 K C -0.445 175.996 176.600 -0.265 0.000 0.940 70 K CA -0.765 55.378 56.287 -0.239 0.000 0.811 70 K CB 1.465 33.723 32.500 -0.404 0.000 1.120 70 K HN 0.448 nan 8.250 nan 0.000 0.428 71 N N 4.087 122.634 118.700 -0.255 0.000 2.468 71 N HA 0.005 4.757 4.740 0.020 0.000 0.265 71 N C -0.690 174.664 175.510 -0.259 0.000 1.199 71 N CA -0.144 52.547 53.050 -0.598 0.000 0.928 71 N CB 0.351 38.567 38.487 -0.452 0.000 1.059 71 N HN 0.399 nan 8.380 nan 0.000 0.467 72 L N 5.404 126.499 121.223 -0.214 0.000 2.397 72 L HA 0.346 4.698 4.340 0.020 0.000 0.271 72 L C -1.641 175.143 176.870 -0.143 0.000 1.148 72 L CA -1.762 53.039 54.840 -0.064 0.000 0.825 72 L CB 0.069 42.115 42.059 -0.021 0.000 1.117 72 L HN 0.588 nan 8.230 nan 0.000 0.456 73 P HA 0.024 nan 4.420 nan 0.000 0.260 73 P C -0.546 176.672 177.300 -0.137 0.000 1.172 73 P CA 0.267 63.308 63.100 -0.098 0.000 0.760 73 P CB 0.753 32.415 31.700 -0.064 0.000 0.773 74 S N 1.548 117.166 115.700 -0.136 0.000 2.535 74 S HA 0.296 4.778 4.470 0.020 0.000 0.272 74 S C -0.541 174.014 174.600 -0.076 0.000 1.149 74 S CA -0.467 57.643 58.200 -0.151 0.000 0.888 74 S CB 1.319 64.349 63.200 -0.284 0.000 1.110 74 S HN 0.333 nan 8.310 nan 0.000 0.463 75 S N 3.594 119.264 115.700 -0.050 0.000 2.562 75 S HA 0.341 4.823 4.470 0.020 0.000 0.281 75 S C -2.302 172.276 174.600 -0.036 0.000 1.333 75 S CA -0.616 57.560 58.200 -0.039 0.000 1.052 75 S CB 0.160 63.336 63.200 -0.040 0.000 0.884 75 S HN 0.456 nan 8.310 nan 0.000 0.506 76 P HA 0.219 nan 4.420 nan 0.000 0.284 76 P C 0.373 177.607 177.300 -0.108 0.000 1.343 76 P CA -0.309 62.770 63.100 -0.034 0.000 0.826 76 P CB 0.807 32.504 31.700 -0.005 0.000 0.956 77 V N 2.964 122.752 119.914 -0.209 0.000 2.300 77 V HA -0.032 4.100 4.120 0.020 0.000 0.241 77 V C 1.176 176.890 176.094 -0.633 0.000 1.034 77 V CA 1.531 63.516 62.300 -0.524 0.000 1.021 77 V CB -0.861 30.465 31.823 -0.829 0.000 0.662 77 V HN 0.357 nan 8.190 nan 0.000 0.458 78 F N 0.345 120.245 119.950 -0.082 0.000 2.923 78 F HA 0.621 5.160 4.527 0.020 0.000 0.314 78 F C 1.165 177.005 175.800 0.066 0.000 1.196 78 F CA 0.404 58.384 58.000 -0.033 0.000 1.320 78 F CB 0.304 39.212 39.000 -0.153 0.000 0.953 78 F HN 0.309 nan 8.300 nan 0.000 0.505 79 G N 0.054 108.936 108.800 0.137 0.000 2.481 79 G HA2 -0.244 3.728 3.960 0.020 0.000 0.230 79 G HA3 -0.244 3.728 3.960 0.020 0.000 0.230 79 G C -0.230 174.751 174.900 0.134 0.000 1.210 79 G CA -0.581 44.595 45.100 0.126 0.000 0.936 79 G HN 0.115 nan 8.290 nan 0.000 0.583 80 S N 2.189 117.972 115.700 0.137 0.000 2.670 80 S HA 0.250 4.732 4.470 0.020 0.000 0.328 80 S C 0.734 175.433 174.600 0.164 0.000 1.179 80 S CA -0.151 58.123 58.200 0.123 0.000 1.194 80 S CB -0.089 63.173 63.200 0.104 0.000 1.359 80 S HN 0.684 nan 8.310 nan 0.000 0.555 81 N N 2.191 120.980 118.700 0.149 0.000 2.453 81 N HA 0.075 4.827 4.740 0.020 0.000 0.253 81 N C -0.664 174.938 175.510 0.155 0.000 1.252 81 N CA 0.039 53.199 53.050 0.182 0.000 0.917 81 N CB 0.773 39.334 38.487 0.124 0.000 1.117 81 N HN 0.226 nan 8.380 nan 0.000 0.442 82 V N 3.579 123.612 119.914 0.198 0.000 2.333 82 V HA 0.080 4.212 4.120 0.020 0.000 0.274 82 V C 0.735 176.876 176.094 0.078 0.000 1.028 82 V CA -0.536 61.798 62.300 0.057 0.000 0.851 82 V CB 1.279 32.982 31.823 -0.200 0.000 1.000 82 V HN 0.633 nan 8.190 nan 0.000 0.456 83 D N 3.266 123.678 120.400 0.020 0.000 2.117 83 D HA -0.037 4.615 4.640 0.020 0.000 0.198 83 D C 0.490 176.804 176.300 0.024 0.000 0.982 83 D CA 1.498 55.503 54.000 0.009 0.000 0.828 83 D CB 0.145 40.936 40.800 -0.015 0.000 0.967 83 D HN 0.605 nan 8.370 nan 0.000 0.464 84 N N -0.474 118.209 118.700 -0.030 0.000 2.442 84 N HA 0.373 5.125 4.740 0.020 0.000 0.274 84 N C -1.278 174.134 175.510 -0.163 0.000 1.002 84 N CA -0.363 52.648 53.050 -0.064 0.000 0.910 84 N CB 2.836 41.281 38.487 -0.071 0.000 1.244 84 N HN -0.256 nan 8.380 nan 0.000 0.492 85 V N 2.419 122.208 119.914 -0.210 0.000 2.547 85 V HA 0.442 4.574 4.120 0.020 0.000 0.299 85 V C -0.497 175.427 176.094 -0.284 0.000 1.040 85 V CA -0.824 61.241 62.300 -0.392 0.000 0.913 85 V CB 1.712 33.144 31.823 -0.653 0.000 0.992 85 V HN 0.473 nan 8.190 nan 0.000 0.449 86 L N 5.371 126.446 121.223 -0.247 0.000 2.307 86 L HA 0.657 5.009 4.340 0.020 0.000 0.284 86 L C -0.804 175.962 176.870 -0.173 0.000 1.023 86 L CA -0.224 54.511 54.840 -0.174 0.000 0.810 86 L CB 1.483 43.465 42.059 -0.129 0.000 1.231 86 L HN 0.621 nan 8.230 nan 0.000 0.423 87 L N 4.687 125.817 121.223 -0.155 0.000 2.282 87 L HA 0.657 5.009 4.340 0.020 0.000 0.288 87 L C -0.638 176.150 176.870 -0.137 0.000 1.033 87 L CA 0.408 55.175 54.840 -0.123 0.000 0.807 87 L CB 1.560 43.563 42.059 -0.093 0.000 1.209 87 L HN 0.712 nan 8.230 nan 0.000 0.423 88 T N 5.002 119.428 114.554 -0.213 0.000 2.809 88 T HA 0.836 5.197 4.350 0.020 0.000 0.284 88 T C -0.580 173.826 174.700 -0.490 0.000 0.992 88 T CA -0.343 61.575 62.100 -0.304 0.000 0.957 88 T CB 1.387 70.103 68.868 -0.254 0.000 0.942 88 T HN 0.826 nan 8.240 nan 0.000 0.439 89 A N 3.424 125.824 122.820 -0.700 0.000 2.355 89 A HA 0.800 5.132 4.320 0.020 0.000 0.317 89 A C -0.644 176.476 177.584 -0.772 0.000 1.094 89 A CA -0.837 50.657 52.037 -0.904 0.000 0.764 89 A CB 1.119 19.287 19.000 -1.388 0.000 1.230 89 A HN 0.798 nan 8.150 nan 0.000 0.448 90 E N 1.013 120.759 120.200 -0.758 0.000 2.263 90 E HA 0.311 4.673 4.350 0.020 0.000 0.268 90 E C -1.882 174.492 176.600 -0.377 0.000 0.884 90 E CA -0.440 55.667 56.400 -0.487 0.000 0.766 90 E CB 1.713 31.165 29.700 -0.413 0.000 1.196 90 E HN 0.593 nan 8.360 nan 0.000 0.416 91 Y N 2.748 123.085 120.300 0.062 0.000 2.636 91 Y HA 0.049 4.611 4.550 0.020 0.000 0.334 91 Y C 1.415 177.330 175.900 0.026 0.000 1.286 91 Y CA 0.031 58.278 58.100 0.246 0.000 1.688 91 Y CB -0.062 38.545 38.460 0.244 0.000 1.662 91 Y HN 0.539 nan 8.280 nan 0.000 0.465 92 Q N 0.726 120.496 119.800 -0.050 0.000 2.083 92 Q HA -0.048 4.304 4.340 0.020 0.000 0.198 92 Q C 0.826 176.849 176.000 0.039 0.000 0.969 92 Q CA 1.523 57.090 55.803 -0.392 0.000 0.838 92 Q CB 0.256 28.716 28.738 -0.463 0.000 0.900 92 Q HN 0.656 nan 8.270 nan 0.000 0.436 93 T N -5.080 109.586 114.554 0.187 0.000 2.787 93 T HA 0.272 4.634 4.350 0.020 0.000 0.297 93 T C 0.538 175.401 174.700 0.272 0.000 1.221 93 T CA -0.508 61.721 62.100 0.214 0.000 1.006 93 T CB 1.432 70.415 68.868 0.192 0.000 1.328 93 T HN -0.130 nan 8.240 nan 0.000 0.509 94 S N 0.622 116.434 115.700 0.188 0.000 2.440 94 S HA -0.038 4.444 4.470 0.020 0.000 0.238 94 S C 1.269 176.043 174.600 0.289 0.000 1.010 94 S CA 0.916 59.200 58.200 0.141 0.000 0.972 94 S CB -0.441 62.806 63.200 0.078 0.000 0.774 94 S HN 0.727 nan 8.310 nan 0.000 0.501 95 N N 0.283 119.188 118.700 0.341 0.000 2.170 95 N HA 0.152 4.904 4.740 0.020 0.000 0.222 95 N C 0.004 175.724 175.510 0.350 0.000 1.218 95 N CA 0.007 53.276 53.050 0.364 0.000 0.889 95 N CB 0.943 39.583 38.487 0.255 0.000 1.083 95 N HN 0.246 nan 8.380 nan 0.000 0.520 96 R N 0.749 121.461 120.500 0.353 0.000 2.515 96 R HA 0.261 4.613 4.340 0.020 0.000 0.291 96 R C -1.927 174.431 176.300 0.098 0.000 1.046 96 R CA -0.478 55.717 56.100 0.159 0.000 0.914 96 R CB 1.157 31.599 30.300 0.237 0.000 1.191 96 R HN -0.180 nan 8.270 nan 0.000 0.435 97 F N 3.546 123.275 119.950 -0.369 0.000 2.480 97 F HA 0.454 4.993 4.527 0.020 0.000 0.329 97 F C -1.014 174.632 175.800 -0.255 0.000 1.091 97 F CA -0.708 57.076 58.000 -0.361 0.000 0.972 97 F CB 1.319 39.895 39.000 -0.706 0.000 1.150 97 F HN 0.661 nan 8.300 nan 0.000 0.467 98 H N 6.206 124.539 119.070 -1.229 0.000 2.609 98 H HA 0.534 5.102 4.556 0.020 0.000 0.344 98 H C -1.782 172.751 175.328 -1.326 0.000 1.040 98 H CA -1.194 54.127 56.048 -1.212 0.000 1.216 98 H CB 1.094 30.281 29.762 -0.958 0.000 1.529 98 H HN 0.509 nan 8.280 nan 0.000 0.519 99 F N 2.930 122.047 119.950 -1.389 0.000 2.578 99 F HA 0.635 5.174 4.527 0.020 0.000 0.311 99 F C -1.636 173.696 175.800 -0.780 0.000 1.094 99 F CA -1.041 56.315 58.000 -1.074 0.000 0.923 99 F CB 1.620 40.211 39.000 -0.681 0.000 1.230 99 F HN 0.549 nan 8.300 nan 0.000 0.450 100 K N 3.598 123.674 120.400 -0.541 0.000 2.422 100 K HA 0.781 5.113 4.320 0.020 0.000 0.251 100 K C -2.131 174.391 176.600 -0.130 0.000 0.933 100 K CA -0.921 55.135 56.287 -0.385 0.000 0.798 100 K CB 2.762 35.019 32.500 -0.405 0.000 1.238 100 K HN 0.879 nan 8.250 nan 0.000 0.428 101 L N 2.532 123.738 121.223 -0.029 0.000 2.319 101 L HA 0.443 4.795 4.340 0.020 0.000 0.281 101 L C -0.346 176.629 176.870 0.175 0.000 1.005 101 L CA -0.408 54.478 54.840 0.077 0.000 0.828 101 L CB 1.962 44.142 42.059 0.202 0.000 1.227 101 L HN 0.974 nan 8.230 nan 0.000 0.415 102 T N -2.403 112.164 114.554 0.021 0.000 2.907 102 T HA 0.366 4.728 4.350 0.020 0.000 0.290 102 T C -0.734 173.830 174.700 -0.227 0.000 1.066 102 T CA -0.910 61.198 62.100 0.012 0.000 1.012 102 T CB 2.162 71.007 68.868 -0.039 0.000 1.184 102 T HN 0.329 nan 8.240 nan 0.000 0.522 103 D N 0.448 120.720 120.400 -0.212 0.000 2.343 103 D HA 0.105 4.757 4.640 0.020 0.000 0.255 103 D C 1.046 177.245 176.300 -0.168 0.000 1.187 103 D CA -0.016 53.807 54.000 -0.295 0.000 0.875 103 D CB 1.444 42.142 40.800 -0.169 0.000 1.136 103 D HN 0.652 nan 8.370 nan 0.000 0.469 104 Q N 1.894 121.589 119.800 -0.174 0.000 2.170 104 Q HA -0.142 4.210 4.340 0.020 0.000 0.203 104 Q C 1.133 177.087 176.000 -0.077 0.000 0.976 104 Q CA 1.552 57.286 55.803 -0.115 0.000 0.858 104 Q CB 0.268 28.941 28.738 -0.109 0.000 0.907 104 Q HN 0.658 nan 8.270 nan 0.000 0.433 105 T N -3.693 110.819 114.554 -0.071 0.000 3.085 105 T HA 0.259 4.621 4.350 0.020 0.000 0.264 105 T C -0.240 174.442 174.700 -0.029 0.000 1.019 105 T CA -0.412 61.662 62.100 -0.043 0.000 0.910 105 T CB 0.115 68.962 68.868 -0.035 0.000 1.059 105 T HN 0.061 nan 8.240 nan 0.000 0.542 106 N N 0.849 119.531 118.700 -0.030 0.000 2.287 106 N HA 0.364 5.116 4.740 0.020 0.000 0.289 106 N C -1.610 173.900 175.510 0.000 0.000 1.066 106 N CA -0.820 52.226 53.050 -0.007 0.000 0.841 106 N CB 1.341 39.833 38.487 0.009 0.000 1.599 106 N HN 0.172 nan 8.380 nan 0.000 0.476 107 N N 1.127 119.832 118.700 0.008 0.000 2.492 107 N HA 0.202 4.953 4.740 0.020 0.000 0.262 107 N C -0.543 174.993 175.510 0.044 0.000 1.202 107 N CA 0.186 53.243 53.050 0.012 0.000 0.926 107 N CB 0.851 39.341 38.487 0.006 0.000 1.078 107 N HN 0.255 nan 8.380 nan 0.000 0.454 108 R N 0.928 121.459 120.500 0.052 0.000 2.888 108 R HA 0.328 4.680 4.340 0.020 0.000 0.266 108 R C -0.884 175.475 176.300 0.097 0.000 1.020 108 R CA -0.958 55.208 56.100 0.111 0.000 0.963 108 R CB 1.267 31.661 30.300 0.156 0.000 1.197 108 R HN 0.430 nan 8.270 nan 0.000 0.481 109 F N 2.019 121.994 119.950 0.042 0.000 2.578 109 F HA 0.034 4.572 4.527 0.020 0.000 0.381 109 F C -0.250 175.544 175.800 -0.010 0.000 1.069 109 F CA 0.616 58.629 58.000 0.021 0.000 1.231 109 F CB 0.468 39.499 39.000 0.052 0.000 1.086 109 F HN 0.309 nan 8.300 nan 0.000 0.564 110 E N 4.735 124.349 120.200 -0.976 0.000 2.238 110 E HA 0.334 4.696 4.350 0.020 0.000 0.267 110 E C -1.054 174.850 176.600 -1.161 0.000 0.887 110 E CA -1.274 54.656 56.400 -0.784 0.000 0.769 110 E CB 2.298 31.760 29.700 -0.397 0.000 1.187 110 E HN 0.360 nan 8.360 nan 0.000 0.416 111 V N 4.163 123.677 119.914 -0.667 0.000 2.509 111 V HA 0.017 4.149 4.120 0.020 0.000 0.297 111 V C -1.718 174.126 176.094 -0.417 0.000 1.014 111 V CA -0.663 61.376 62.300 -0.435 0.000 1.127 111 V CB -0.195 31.564 31.823 -0.108 0.000 0.925 111 V HN 0.599 nan 8.190 nan 0.000 0.480 112 P HA 0.116 nan 4.420 nan 0.000 0.220 112 P C 0.113 177.141 177.300 -0.454 0.000 1.806 112 P CA -0.198 62.509 63.100 -0.655 0.000 0.976 112 P CB -0.204 30.731 31.700 -1.275 0.000 1.952 113 H N 2.165 121.100 119.070 -0.225 0.000 2.897 113 H HA -0.023 4.545 4.556 0.020 0.000 0.347 113 H C 1.155 176.561 175.328 0.129 0.000 1.068 113 H CA 0.554 56.612 56.048 0.017 0.000 1.426 113 H CB 1.122 30.923 29.762 0.065 0.000 1.410 113 H HN 0.238 nan 8.280 nan 0.000 0.597 114 E N 3.609 123.816 120.200 0.011 0.000 2.216 114 E HA -0.165 4.197 4.350 0.020 0.000 0.192 114 E C 1.062 177.796 176.600 0.223 0.000 0.988 114 E CA 1.004 57.487 56.400 0.139 0.000 0.834 114 E CB 0.155 29.944 29.700 0.148 0.000 0.772 114 E HN 0.780 nan 8.360 nan 0.000 0.479 115 H N -0.765 118.452 119.070 0.245 0.000 2.393 115 H HA 0.211 4.779 4.556 0.020 0.000 0.307 115 H C 0.268 175.720 175.328 0.207 0.000 1.038 115 H CA 0.546 56.737 56.048 0.240 0.000 1.351 115 H CB 0.283 30.183 29.762 0.230 0.000 1.464 115 H HN -0.173 nan 8.280 nan 0.000 0.575 116 V N 3.208 123.344 119.914 0.371 0.000 2.599 116 V HA 0.004 4.136 4.120 0.020 0.000 0.300 116 V C -0.043 176.073 176.094 0.037 0.000 1.034 116 V CA 0.585 62.933 62.300 0.079 0.000 1.115 116 V CB 0.841 32.636 31.823 -0.046 0.000 0.934 116 V HN 0.500 nan 8.190 nan 0.000 0.485 117 Q N 2.439 122.231 119.800 -0.013 0.000 2.297 117 Q HA 0.517 4.869 4.340 0.020 0.000 0.269 117 Q C 0.003 176.023 176.000 0.032 0.000 1.051 117 Q CA -0.694 55.109 55.803 0.000 0.000 0.869 117 Q CB 1.816 30.542 28.738 -0.020 0.000 1.346 117 Q HN 0.864 nan 8.270 nan 0.000 0.457 118 S N 0.170 115.889 115.700 0.031 0.000 2.572 118 S HA 0.195 4.677 4.470 0.020 0.000 0.279 118 S C -0.436 174.234 174.600 0.116 0.000 1.341 118 S CA -0.583 57.656 58.200 0.065 0.000 1.043 118 S CB 0.263 63.481 63.200 0.031 0.000 0.887 118 S HN 0.455 nan 8.310 nan 0.000 0.516 119 F N 3.239 123.188 119.950 -0.002 0.000 2.438 119 F HA 0.480 5.018 4.527 0.020 0.000 0.356 119 F C 0.486 176.291 175.800 0.008 0.000 1.099 119 F CA -0.255 57.751 58.000 0.010 0.000 1.185 119 F CB 0.634 39.653 39.000 0.031 0.000 1.115 119 F HN 0.840 nan 8.300 nan 0.000 0.526 120 S N 4.141 119.520 115.700 -0.535 0.000 2.568 120 S HA 0.999 5.481 4.470 0.020 0.000 0.293 120 S C -0.275 173.797 174.600 -0.881 0.000 1.089 120 S CA -0.186 57.715 58.200 -0.497 0.000 0.945 120 S CB 1.539 64.592 63.200 -0.245 0.000 1.077 120 S HN 1.651 nan 8.310 nan 0.000 0.485 121 G N 1.410 109.848 108.800 -0.604 0.000 2.371 121 G HA2 0.113 4.085 3.960 0.020 0.000 0.663 121 G HA3 0.113 4.085 3.960 0.020 0.000 0.663 121 G C -2.013 172.752 174.900 -0.225 0.000 1.311 121 G CA -1.052 43.740 45.100 -0.513 0.000 0.985 121 G HN 0.807 nan 8.290 nan 0.000 0.566 122 N N -0.016 118.705 118.700 0.036 0.000 2.384 122 N HA 0.704 5.456 4.740 0.020 0.000 0.301 122 N C 0.616 176.335 175.510 0.349 0.000 1.133 122 N CA 0.274 53.432 53.050 0.181 0.000 0.853 122 N CB 1.800 40.352 38.487 0.108 0.000 1.241 122 N HN 1.318 nan 8.380 nan 0.000 0.502 123 A N 0.632 123.654 122.820 0.337 0.000 2.587 123 A HA 0.363 4.695 4.320 0.020 0.000 0.235 123 A C 0.635 178.370 177.584 0.251 0.000 1.044 123 A CA -0.032 52.222 52.037 0.363 0.000 0.754 123 A CB -0.364 18.862 19.000 0.377 0.000 0.968 123 A HN 0.729 nan 8.150 nan 0.000 0.509 124 A N 1.940 124.904 122.820 0.240 0.000 2.425 124 A HA 0.566 4.898 4.320 0.020 0.000 0.242 124 A C 0.892 178.503 177.584 0.045 0.000 1.077 124 A CA 0.245 52.372 52.037 0.149 0.000 0.781 124 A CB -0.105 18.987 19.000 0.154 0.000 1.020 124 A HN 2.217 nan 8.150 nan 0.000 0.494 125 A N 0.584 123.422 122.820 0.029 0.000 2.287 125 A HA 0.576 4.908 4.320 0.020 0.000 0.273 125 A C 0.920 178.477 177.584 -0.045 0.000 1.091 125 A CA 0.321 52.348 52.037 -0.018 0.000 0.817 125 A CB -0.273 18.728 19.000 0.003 0.000 1.069 125 A HN 2.081 nan 8.150 nan 0.000 0.492 126 S N -1.008 114.649 115.700 -0.073 0.000 3.706 126 S HA -0.124 4.358 4.470 0.020 0.000 0.363 126 S C 0.084 174.617 174.600 -0.112 0.000 0.999 126 S CA 0.664 58.819 58.200 -0.075 0.000 1.143 126 S CB -2.060 61.121 63.200 -0.032 0.000 0.902 126 S HN 0.607 nan 8.310 nan 0.000 0.476 127 L N 1.162 122.253 121.223 -0.220 0.000 2.485 127 L HA 0.109 4.461 4.340 0.020 0.000 0.275 127 L C 1.963 178.671 176.870 -0.269 0.000 1.207 127 L CA 0.593 55.207 54.840 -0.377 0.000 0.855 127 L CB 0.212 41.827 42.059 -0.741 0.000 1.114 127 L HN 0.577 nan 8.230 nan 0.000 0.485 128 T N -1.544 112.916 114.554 -0.156 0.000 3.100 128 T HA 0.050 4.412 4.350 0.020 0.000 0.253 128 T C 0.053 174.774 174.700 0.036 0.000 1.118 128 T CA 0.097 62.194 62.100 -0.005 0.000 1.058 128 T CB -0.261 68.675 68.868 0.114 0.000 0.953 128 T HN 0.512 nan 8.240 nan 0.000 0.515 129 Y N -0.705 119.580 120.300 -0.026 0.000 2.602 129 Y HA 0.790 5.352 4.550 0.020 0.000 0.342 129 Y C -0.562 175.275 175.900 -0.105 0.000 1.029 129 Y CA -1.865 56.198 58.100 -0.062 0.000 1.080 129 Y CB 1.368 39.797 38.460 -0.051 0.000 1.284 129 Y HN 0.030 nan 8.280 nan 0.000 0.485 130 Q N 1.240 121.066 119.800 0.043 0.000 2.375 130 Q HA 0.746 5.098 4.340 0.020 0.000 0.271 130 Q C -2.063 173.932 176.000 -0.009 0.000 1.074 130 Q CA -1.106 54.675 55.803 -0.037 0.000 0.808 130 Q CB 2.758 31.450 28.738 -0.076 0.000 1.327 130 Q HN 0.777 nan 8.270 nan 0.000 0.441 131 V N 2.579 122.484 119.914 -0.016 0.000 2.513 131 V HA 0.468 4.600 4.120 0.020 0.000 0.299 131 V C -0.773 175.283 176.094 -0.064 0.000 1.035 131 V CA -0.612 61.623 62.300 -0.108 0.000 0.889 131 V CB 1.634 33.361 31.823 -0.160 0.000 0.988 131 V HN 0.822 nan 8.190 nan 0.000 0.440 132 E N 4.879 125.019 120.200 -0.100 0.000 2.234 132 E HA 0.576 4.938 4.350 0.020 0.000 0.266 132 E C -1.629 174.903 176.600 -0.114 0.000 0.877 132 E CA -0.517 55.821 56.400 -0.103 0.000 0.758 132 E CB 1.513 31.156 29.700 -0.094 0.000 1.170 132 E HN 0.436 nan 8.360 nan 0.000 0.415 133 I N 3.362 123.862 120.570 -0.117 0.000 2.378 133 I HA 0.356 4.538 4.170 0.020 0.000 0.291 133 I C -0.347 175.724 176.117 -0.076 0.000 0.992 133 I CA -0.721 60.527 61.300 -0.087 0.000 1.154 133 I CB 1.224 39.205 38.000 -0.033 0.000 1.315 133 I HN 0.502 nan 8.210 nan 0.000 0.448 134 S N 6.135 121.775 115.700 -0.100 0.000 2.565 134 S HA 0.511 4.993 4.470 0.020 0.000 0.290 134 S C 0.979 175.603 174.600 0.040 0.000 1.150 134 S CA -0.659 57.513 58.200 -0.047 0.000 1.058 134 S CB 2.039 65.195 63.200 -0.073 0.000 1.032 134 S HN 0.531 nan 8.310 nan 0.000 0.510 135 R N 0.578 121.126 120.500 0.081 0.000 2.225 135 R HA 0.189 4.541 4.340 0.020 0.000 0.194 135 R C -0.235 176.180 176.300 0.193 0.000 0.957 135 R CA 0.286 56.485 56.100 0.165 0.000 1.042 135 R CB 0.235 30.612 30.300 0.128 0.000 1.004 135 R HN 0.433 nan 8.270 nan 0.000 0.509 136 Q N 1.581 121.455 119.800 0.123 0.000 2.932 136 Q HA 0.338 4.690 4.340 0.020 0.000 0.248 136 Q C -2.444 173.606 176.000 0.083 0.000 0.982 136 Q CA -1.503 54.368 55.803 0.113 0.000 0.730 136 Q CB 1.652 30.423 28.738 0.056 0.000 1.249 136 Q HN 0.127 nan 8.270 nan 0.000 0.476 137 P HA 0.331 nan 4.420 nan 0.000 0.280 137 P C -0.417 177.002 177.300 0.197 0.000 1.272 137 P CA -0.736 62.474 63.100 0.184 0.000 0.819 137 P CB 0.870 32.671 31.700 0.170 0.000 1.122 138 F N 1.571 121.610 119.950 0.148 0.000 2.578 138 F HA 0.280 4.819 4.527 0.020 0.000 0.376 138 F C 0.142 175.995 175.800 0.088 0.000 1.085 138 F CA 0.757 58.826 58.000 0.115 0.000 1.260 138 F CB 0.316 39.397 39.000 0.135 0.000 1.095 138 F HN 0.448 nan 8.300 nan 0.000 0.573 139 S N 6.919 122.088 115.700 -0.886 0.000 2.579 139 S HA 0.663 5.145 4.470 0.020 0.000 0.272 139 S C -1.202 172.813 174.600 -0.976 0.000 1.141 139 S CA -1.031 56.584 58.200 -0.974 0.000 0.843 139 S CB 1.755 64.731 63.200 -0.373 0.000 1.122 139 S HN 0.901 nan 8.310 nan 0.000 0.468 140 I N 0.735 120.906 120.570 -0.665 0.000 2.545 140 I HA 0.655 4.837 4.170 0.020 0.000 0.292 140 I C -1.181 174.835 176.117 -0.168 0.000 1.040 140 I CA -0.590 60.483 61.300 -0.379 0.000 1.068 140 I CB 1.729 39.477 38.000 -0.419 0.000 1.251 140 I HN 0.859 nan 8.210 nan 0.000 0.424 141 K N 6.218 126.531 120.400 -0.146 0.000 2.422 141 K HA 0.703 5.035 4.320 0.020 0.000 0.251 141 K C -2.001 174.528 176.600 -0.119 0.000 0.933 141 K CA -0.661 55.583 56.287 -0.072 0.000 0.798 141 K CB 2.375 34.819 32.500 -0.093 0.000 1.238 141 K HN 0.445 nan 8.250 nan 0.000 0.428 142 V N 2.857 122.723 119.914 -0.080 0.000 2.531 142 V HA 0.387 4.519 4.120 0.020 0.000 0.301 142 V C -0.358 175.665 176.094 -0.119 0.000 1.034 142 V CA -0.714 61.493 62.300 -0.155 0.000 0.865 142 V CB 1.633 33.325 31.823 -0.219 0.000 0.995 142 V HN 0.990 nan 8.190 nan 0.000 0.424 143 T N 1.805 116.307 114.554 -0.086 0.000 2.908 143 T HA 0.633 4.995 4.350 0.020 0.000 0.290 143 T C -0.370 174.311 174.700 -0.032 0.000 1.034 143 T CA -0.879 61.174 62.100 -0.079 0.000 1.010 143 T CB 1.884 70.712 68.868 -0.066 0.000 1.068 143 T HN 0.611 nan 8.240 nan 0.000 0.481 144 R N 1.263 121.737 120.500 -0.044 0.000 2.347 144 R HA 0.322 4.674 4.340 0.020 0.000 0.304 144 R C 1.531 177.826 176.300 -0.007 0.000 1.072 144 R CA -0.517 55.582 56.100 -0.002 0.000 0.980 144 R CB 0.468 30.762 30.300 -0.010 0.000 0.986 144 R HN 0.837 nan 8.270 nan 0.000 0.448 145 R N 1.635 122.133 120.500 -0.004 0.000 2.075 145 R HA -0.144 4.208 4.340 0.020 0.000 0.232 145 R C 2.123 178.411 176.300 -0.020 0.000 1.126 145 R CA 2.138 58.221 56.100 -0.029 0.000 0.963 145 R CB -0.058 30.209 30.300 -0.055 0.000 0.858 145 R HN 0.850 nan 8.270 nan 0.000 0.435 146 S N 1.153 116.848 115.700 -0.007 0.000 2.365 146 S HA -0.182 4.300 4.470 0.020 0.000 0.225 146 S C 1.309 175.909 174.600 -0.000 0.000 1.039 146 S CA 1.579 59.778 58.200 -0.001 0.000 1.033 146 S CB -0.375 62.832 63.200 0.011 0.000 0.887 146 S HN 0.601 nan 8.310 nan 0.000 0.447 147 N N 0.376 119.076 118.700 0.000 0.000 2.170 147 N HA 0.154 4.906 4.740 0.020 0.000 0.222 147 N C -0.199 175.306 175.510 -0.009 0.000 1.218 147 N CA 0.200 53.250 53.050 0.001 0.000 0.889 147 N CB -1.375 37.119 38.487 0.011 0.000 1.083 147 N HN 0.642 nan 8.380 nan 0.000 0.520 148 N N -0.179 118.511 118.700 -0.018 0.000 2.693 148 N HA -0.272 4.480 4.740 0.020 0.000 0.249 148 N C -0.755 174.733 175.510 -0.035 0.000 1.119 148 N CA 0.306 53.339 53.050 -0.029 0.000 0.717 148 N CB -0.729 37.741 38.487 -0.028 0.000 1.071 148 N HN 0.381 nan 8.380 nan 0.000 0.555 149 R N 0.981 121.460 120.500 -0.035 0.000 2.401 149 R HA 0.258 4.610 4.340 0.020 0.000 0.299 149 R C -0.450 175.799 176.300 -0.085 0.000 1.064 149 R CA -0.144 55.928 56.100 -0.047 0.000 1.000 149 R CB 0.677 30.955 30.300 -0.035 0.000 0.973 149 R HN 0.006 nan 8.270 nan 0.000 0.438 150 V N 7.983 127.845 119.914 -0.086 0.000 2.479 150 V HA 0.015 4.147 4.120 0.020 0.000 0.281 150 V C 1.191 177.176 176.094 -0.182 0.000 1.031 150 V CA 0.178 62.409 62.300 -0.115 0.000 1.038 150 V CB 0.691 32.461 31.823 -0.089 0.000 0.981 150 V HN 0.821 nan 8.190 nan 0.000 0.478 151 L N 4.264 125.310 121.223 -0.294 0.000 2.356 151 L HA 0.351 4.703 4.340 0.020 0.000 0.193 151 L C 0.547 177.180 176.870 -0.395 0.000 1.087 151 L CA 0.707 55.151 54.840 -0.660 0.000 0.817 151 L CB 0.099 41.515 42.059 -1.071 0.000 1.035 151 L HN 0.484 nan 8.230 nan 0.000 0.482 152 F N 0.909 120.660 119.950 -0.333 0.000 2.458 152 F HA 0.405 4.944 4.527 0.020 0.000 0.336 152 F C -0.882 174.833 175.800 -0.141 0.000 1.114 152 F CA -0.689 57.234 58.000 -0.129 0.000 0.987 152 F CB 1.286 40.240 39.000 -0.078 0.000 1.130 152 F HN -0.139 nan 8.300 nan 0.000 0.458 153 D N 2.869 123.127 120.400 -0.236 0.000 2.365 153 D HA 0.104 4.756 4.640 0.020 0.000 0.235 153 D C 0.130 176.287 176.300 -0.238 0.000 1.368 153 D CA -0.123 53.792 54.000 -0.142 0.000 1.001 153 D CB 1.453 42.177 40.800 -0.127 0.000 1.364 153 D HN 0.438 nan 8.370 nan 0.000 0.577 154 S N 1.457 117.064 115.700 -0.156 0.000 2.561 154 S HA -0.104 4.378 4.470 0.020 0.000 0.225 154 S C 1.678 176.212 174.600 -0.110 0.000 0.977 154 S CA 0.864 58.983 58.200 -0.136 0.000 0.926 154 S CB -0.272 62.923 63.200 -0.009 0.000 0.769 154 S HN 0.349 nan 8.310 nan 0.000 0.533 155 S N 1.333 116.962 115.700 -0.119 0.000 2.507 155 S HA 0.068 4.550 4.470 0.020 0.000 0.235 155 S C 1.552 176.130 174.600 -0.037 0.000 0.988 155 S CA 0.513 58.664 58.200 -0.081 0.000 0.944 155 S CB -0.860 62.290 63.200 -0.083 0.000 0.762 155 S HN 0.642 nan 8.310 nan 0.000 0.526 156 I N 1.237 121.777 120.570 -0.050 0.000 2.493 156 I HA 0.116 4.298 4.170 0.020 0.000 0.254 156 I C 1.082 177.216 176.117 0.030 0.000 1.160 156 I CA 0.874 62.162 61.300 -0.019 0.000 1.445 156 I CB -0.381 37.587 38.000 -0.053 0.000 1.086 156 I HN 0.521 nan 8.210 nan 0.000 0.433 157 G N 0.028 108.840 108.800 0.020 0.000 2.727 157 G HA2 0.488 4.460 3.960 0.020 0.000 0.289 157 G HA3 0.488 4.460 3.960 0.020 0.000 0.289 157 G C -2.932 171.981 174.900 0.021 0.000 1.418 157 G CA -0.772 44.352 45.100 0.040 0.000 0.818 157 G HN -0.122 nan 8.290 nan 0.000 0.486 158 P HA 0.352 nan 4.420 nan 0.000 0.274 158 P C -0.722 176.644 177.300 0.110 0.000 1.237 158 P CA -0.492 62.619 63.100 0.019 0.000 0.793 158 P CB 1.673 33.261 31.700 -0.188 0.000 0.977 159 L N 2.408 123.798 121.223 0.279 0.000 2.290 159 L HA 0.347 4.699 4.340 0.020 0.000 0.284 159 L C -0.878 176.225 176.870 0.388 0.000 1.078 159 L CA -0.085 54.950 54.840 0.325 0.000 0.815 159 L CB -0.304 41.983 42.059 0.379 0.000 1.162 159 L HN 0.198 nan 8.230 nan 0.000 0.435 160 L N 6.380 127.788 121.223 0.308 0.000 2.341 160 L HA 0.492 4.844 4.340 0.020 0.000 0.278 160 L C -0.989 176.123 176.870 0.403 0.000 1.005 160 L CA -0.321 54.766 54.840 0.411 0.000 0.818 160 L CB 1.622 43.923 42.059 0.403 0.000 1.259 160 L HN 0.646 nan 8.230 nan 0.000 0.418 161 F N 3.111 123.274 119.950 0.356 0.000 3.050 161 F HA 0.628 5.167 4.527 0.020 0.000 0.382 161 F C -0.066 175.893 175.800 0.265 0.000 1.246 161 F CA -0.485 57.656 58.000 0.235 0.000 1.217 161 F CB 0.824 39.877 39.000 0.089 0.000 1.795 161 F HN 0.550 nan 8.300 nan 0.000 0.622 162 A N 2.333 125.476 122.820 0.538 0.000 2.288 162 A HA 0.316 4.648 4.320 0.020 0.000 0.328 162 A C 0.718 178.539 177.584 0.395 0.000 1.123 162 A CA -0.321 51.982 52.037 0.442 0.000 0.861 162 A CB 0.892 20.125 19.000 0.389 0.000 1.272 162 A HN 0.666 nan 8.150 nan 0.000 0.490 163 D N -0.629 119.957 120.400 0.311 0.000 2.149 163 D HA -0.147 4.505 4.640 0.020 0.000 0.198 163 D C 1.078 177.521 176.300 0.238 0.000 0.990 163 D CA 1.981 56.136 54.000 0.259 0.000 0.839 163 D CB 0.187 41.096 40.800 0.181 0.000 0.948 163 D HN 0.571 nan 8.370 nan 0.000 0.460 164 Q N -1.459 118.500 119.800 0.265 0.000 2.141 164 Q HA 0.216 4.568 4.340 0.020 0.000 0.248 164 Q C -0.985 175.225 176.000 0.349 0.000 0.834 164 Q CA -0.342 55.634 55.803 0.289 0.000 1.096 164 Q CB 1.053 29.955 28.738 0.273 0.000 1.189 164 Q HN 0.185 nan 8.270 nan 0.000 0.471 165 F N 1.062 121.087 119.950 0.125 0.000 2.991 165 F HA 0.360 4.899 4.527 0.020 0.000 0.355 165 F C -2.251 173.559 175.800 0.016 0.000 1.262 165 F CA -0.826 57.204 58.000 0.051 0.000 1.127 165 F CB 1.059 40.117 39.000 0.097 0.000 1.447 165 F HN -0.152 nan 8.300 nan 0.000 0.584 166 L N 5.414 126.388 121.223 -0.415 0.000 2.385 166 L HA 0.645 4.997 4.340 0.020 0.000 0.273 166 L C -0.822 175.788 176.870 -0.434 0.000 0.990 166 L CA -0.407 54.201 54.840 -0.386 0.000 0.821 166 L CB 2.119 43.861 42.059 -0.528 0.000 1.279 166 L HN 0.636 nan 8.230 nan 0.000 0.412 167 Q N 2.894 122.567 119.800 -0.213 0.000 2.315 167 Q HA 0.780 5.132 4.340 0.020 0.000 0.273 167 Q C -2.124 173.920 176.000 0.073 0.000 1.053 167 Q CA -0.715 55.019 55.803 -0.115 0.000 0.817 167 Q CB 2.747 31.412 28.738 -0.121 0.000 1.326 167 Q HN 0.573 nan 8.270 nan 0.000 0.423 168 L N 1.552 122.877 121.223 0.170 0.000 2.434 168 L HA 0.663 5.015 4.340 0.020 0.000 0.260 168 L C -1.443 175.529 176.870 0.170 0.000 0.983 168 L CA -0.067 54.901 54.840 0.213 0.000 0.820 168 L CB 2.733 45.000 42.059 0.347 0.000 1.361 168 L HN 0.709 nan 8.230 nan 0.000 0.410 169 S N 0.843 116.577 115.700 0.057 0.000 2.648 169 S HA 0.845 5.327 4.470 0.020 0.000 0.305 169 S C -0.883 173.583 174.600 -0.223 0.000 1.094 169 S CA -0.570 57.603 58.200 -0.045 0.000 0.983 169 S CB 1.877 65.050 63.200 -0.044 0.000 1.101 169 S HN 0.707 nan 8.310 nan 0.000 0.514 170 T N 1.008 115.367 114.554 -0.327 0.000 2.971 170 T HA 0.411 4.773 4.350 0.020 0.000 0.304 170 T C -0.676 173.833 174.700 -0.319 0.000 1.038 170 T CA -0.744 61.033 62.100 -0.538 0.000 1.007 170 T CB 0.623 68.826 68.868 -1.109 0.000 1.055 170 T HN 0.541 nan 8.240 nan 0.000 0.451 171 R N 2.550 122.894 120.500 -0.259 0.000 2.784 171 R HA 0.509 4.861 4.340 0.020 0.000 0.266 171 R C -0.351 175.871 176.300 -0.130 0.000 1.044 171 R CA -0.144 55.852 56.100 -0.174 0.000 1.151 171 R CB 0.341 30.561 30.300 -0.134 0.000 1.037 171 R HN 0.496 nan 8.270 nan 0.000 0.478 172 L N 1.949 123.122 121.223 -0.084 0.000 2.370 172 L HA 0.356 4.708 4.340 0.020 0.000 0.266 172 L C -1.560 175.318 176.870 0.014 0.000 1.002 172 L CA -1.948 52.906 54.840 0.022 0.000 0.818 172 L CB 2.607 44.648 42.059 -0.028 0.000 1.325 172 L HN 0.512 nan 8.230 nan 0.000 0.418 173 P HA 0.002 nan 4.420 nan 0.000 0.236 173 P C 0.006 177.319 177.300 0.023 0.000 1.177 173 P CA 0.510 63.635 63.100 0.043 0.000 0.773 173 P CB 0.551 32.292 31.700 0.068 0.000 0.878 174 S N -1.950 113.753 115.700 0.005 0.000 2.643 174 S HA 0.343 4.825 4.470 0.020 0.000 0.270 174 S C 0.471 175.012 174.600 -0.099 0.000 1.166 174 S CA -0.053 58.123 58.200 -0.040 0.000 0.815 174 S CB 0.697 63.860 63.200 -0.062 0.000 1.139 174 S HN -0.030 nan 8.310 nan 0.000 0.472 175 T N -1.196 113.294 114.554 -0.107 0.000 3.122 175 T HA 0.259 4.621 4.350 0.020 0.000 0.250 175 T C -0.079 174.484 174.700 -0.229 0.000 1.067 175 T CA -0.289 61.717 62.100 -0.158 0.000 0.966 175 T CB -0.828 67.977 68.868 -0.104 0.000 1.002 175 T HN 0.503 nan 8.240 nan 0.000 0.542 176 N N 2.343 120.894 118.700 -0.248 0.000 2.663 176 N HA 0.338 5.090 4.740 0.020 0.000 0.250 176 N C -1.149 173.987 175.510 -0.624 0.000 1.129 176 N CA -0.038 52.785 53.050 -0.379 0.000 0.995 176 N CB 1.164 39.485 38.487 -0.276 0.000 1.324 176 N HN 0.229 nan 8.380 nan 0.000 0.512 177 V N 2.866 122.229 119.914 -0.917 0.000 2.487 177 V HA 0.463 4.595 4.120 0.020 0.000 0.298 177 V C -0.998 174.535 176.094 -0.935 0.000 1.028 177 V CA -0.684 61.179 62.300 -0.728 0.000 0.860 177 V CB 0.975 32.463 31.823 -0.559 0.000 0.991 177 V HN 0.353 nan 8.190 nan 0.000 0.427 178 Y N 2.256 122.444 120.300 -0.187 0.000 2.457 178 Y HA 0.874 5.435 4.550 0.020 0.000 0.343 178 Y C 0.595 176.420 175.900 -0.125 0.000 0.994 178 Y CA 0.118 58.033 58.100 -0.308 0.000 1.031 178 Y CB 2.448 40.598 38.460 -0.516 0.000 1.246 178 Y HN 0.992 nan 8.280 nan 0.000 0.449 179 G N 1.063 109.930 108.800 0.111 0.000 2.280 179 G HA2 0.242 4.214 3.960 0.020 0.000 0.277 179 G HA3 0.242 4.214 3.960 0.020 0.000 0.277 179 G C -1.554 173.579 174.900 0.389 0.000 1.288 179 G CA -0.639 44.615 45.100 0.256 0.000 1.075 179 G HN 1.036 nan 8.290 nan 0.000 0.480 180 L N -1.808 119.702 121.223 0.480 0.000 0.586 180 L HA 0.251 4.603 4.340 0.020 0.000 0.356 180 L C 0.653 177.766 176.870 0.405 0.000 1.005 180 L CA 0.715 55.745 54.840 0.316 0.000 1.223 180 L CB -1.034 41.089 42.059 0.107 0.000 0.023 180 L HN 2.657 nan 8.230 nan 0.000 0.092 181 G N 1.151 109.956 108.800 0.007 0.000 2.451 181 G HA2 0.465 4.437 3.960 0.020 0.000 0.292 181 G HA3 0.465 4.437 3.960 0.020 0.000 0.292 181 G C -1.987 172.602 174.900 -0.518 0.000 1.427 181 G CA -0.387 44.507 45.100 -0.343 0.000 0.792 181 G HN 0.765 nan 8.290 nan 0.000 0.498 182 E N 0.149 120.079 120.200 -0.449 0.000 2.200 182 E HA 0.563 4.925 4.350 0.020 0.000 0.283 182 E C -0.655 175.646 176.600 -0.498 0.000 1.015 182 E CA -0.602 55.635 56.400 -0.273 0.000 0.819 182 E CB 0.456 30.228 29.700 0.120 0.000 1.081 182 E HN 0.528 nan 8.360 nan 0.000 0.397 183 H N 1.488 120.506 119.070 -0.086 0.000 2.990 183 H HA 0.283 4.852 4.556 0.020 0.000 0.343 183 H C -1.066 174.062 175.328 -0.334 0.000 1.270 183 H CA -0.788 55.136 56.048 -0.207 0.000 1.118 183 H CB 1.368 30.913 29.762 -0.361 0.000 1.861 183 H HN 0.205 nan 8.280 nan 0.000 0.544 184 V N 2.088 121.951 119.914 -0.085 0.000 2.304 184 V HA 0.071 4.203 4.120 0.020 0.000 0.269 184 V C 0.615 176.565 176.094 -0.239 0.000 1.036 184 V CA -0.056 62.133 62.300 -0.185 0.000 0.840 184 V CB -0.030 31.683 31.823 -0.184 0.000 1.036 184 V HN 0.739 nan 8.190 nan 0.000 0.466 185 H N 2.709 121.674 119.070 -0.176 0.000 2.535 185 H HA 0.003 4.571 4.556 0.020 0.000 0.273 185 H C 1.457 176.684 175.328 -0.169 0.000 0.983 185 H CA 0.692 56.579 56.048 -0.268 0.000 1.238 185 H CB 0.255 29.718 29.762 -0.498 0.000 1.412 185 H HN 0.768 nan 8.280 nan 0.000 0.562 186 Q N -1.046 118.669 119.800 -0.141 0.000 3.595 186 Q HA -0.259 4.093 4.340 0.020 0.000 0.208 186 Q C 0.267 176.303 176.000 0.060 0.000 2.563 186 Q CA 1.761 57.484 55.803 -0.132 0.000 0.537 186 Q CB -0.920 27.701 28.738 -0.195 0.000 0.475 186 Q HN 0.646 nan 8.270 nan 0.000 0.677 187 Q N -0.853 118.899 119.800 -0.080 0.000 2.378 187 Q HA 0.480 4.832 4.340 0.020 0.000 0.276 187 Q C 0.243 176.174 176.000 -0.115 0.000 1.083 187 Q CA -0.665 54.937 55.803 -0.335 0.000 0.856 187 Q CB 0.776 29.296 28.738 -0.365 0.000 1.383 187 Q HN 0.170 nan 8.270 nan 0.000 0.458 188 Y N 0.586 120.774 120.300 -0.187 0.000 2.301 188 Y HA 0.246 4.808 4.550 0.020 0.000 0.295 188 Y C 0.646 176.550 175.900 0.007 0.000 1.126 188 Y CA 0.355 58.463 58.100 0.013 0.000 1.154 188 Y CB 0.575 39.148 38.460 0.187 0.000 1.075 188 Y HN 0.646 nan 8.280 nan 0.000 0.534 189 R N 1.246 121.709 120.500 -0.063 0.000 2.389 189 R HA 0.080 4.432 4.340 0.020 0.000 0.295 189 R C -1.034 175.025 176.300 -0.402 0.000 1.075 189 R CA -0.237 55.667 56.100 -0.326 0.000 1.005 189 R CB 0.088 30.339 30.300 -0.083 0.000 0.987 189 R HN 0.291 nan 8.270 nan 0.000 0.452 190 H N 1.754 120.527 119.070 -0.494 0.000 2.848 190 H HA -0.056 4.512 4.556 0.020 0.000 0.341 190 H C -0.400 174.784 175.328 -0.240 0.000 1.060 190 H CA 0.606 56.425 56.048 -0.381 0.000 1.444 190 H CB 0.571 30.051 29.762 -0.469 0.000 1.446 190 H HN 0.482 nan 8.280 nan 0.000 0.583 191 D N 3.965 124.343 120.400 -0.036 0.000 2.368 191 D HA -0.073 4.579 4.640 0.020 0.000 0.268 191 D C 0.399 176.687 176.300 -0.021 0.000 1.298 191 D CA 0.024 54.021 54.000 -0.005 0.000 0.938 191 D CB 0.476 41.305 40.800 0.048 0.000 1.101 191 D HN 0.434 nan 8.370 nan 0.000 0.509 192 M N 2.324 121.859 119.600 -0.108 0.000 2.628 192 M HA 0.003 4.495 4.480 0.020 0.000 0.232 192 M C 0.026 176.162 176.300 -0.273 0.000 1.128 192 M CA 0.175 55.352 55.300 -0.205 0.000 1.040 192 M CB -1.165 31.287 32.600 -0.248 0.000 1.608 192 M HN 0.242 nan 8.290 nan 0.000 0.507 193 N N 0.490 119.089 118.700 -0.169 0.000 3.124 193 N HA 0.113 4.865 4.740 0.020 0.000 0.284 193 N C -1.253 174.253 175.510 -0.008 0.000 1.209 193 N CA -0.211 52.748 53.050 -0.153 0.000 1.149 193 N CB -0.292 38.195 38.487 0.001 0.000 1.434 193 N HN 0.187 nan 8.380 nan 0.000 0.529 194 W N 0.663 121.911 121.300 -0.087 0.000 3.957 194 W HA -0.246 4.426 4.660 0.020 0.000 0.440 194 W C -0.392 176.046 176.519 -0.134 0.000 1.792 194 W CA 0.031 57.313 57.345 -0.104 0.000 0.635 194 W CB -0.754 28.648 29.460 -0.096 0.000 2.887 194 W HN 0.129 nan 8.180 nan 0.000 0.739 195 K N 1.342 121.729 120.400 -0.022 0.000 2.427 195 K HA 0.644 4.976 4.320 0.020 0.000 0.252 195 K C -0.242 176.205 176.600 -0.256 0.000 0.931 195 K CA -0.891 55.290 56.287 -0.176 0.000 0.793 195 K CB 2.173 34.595 32.500 -0.129 0.000 1.211 195 K HN -0.050 nan 8.250 nan 0.000 0.426 196 T N 1.953 116.262 114.554 -0.409 0.000 2.792 196 T HA 0.458 4.820 4.350 0.020 0.000 0.280 196 T C -0.930 173.428 174.700 -0.569 0.000 0.990 196 T CA -0.523 61.383 62.100 -0.323 0.000 0.960 196 T CB 0.552 69.325 68.868 -0.158 0.000 0.939 196 T HN 0.334 nan 8.240 nan 0.000 0.439 197 W N 5.759 126.970 121.300 -0.149 0.000 2.362 197 W HA 0.387 5.059 4.660 0.020 0.000 0.316 197 W C -2.331 174.142 176.519 -0.076 0.000 1.024 197 W CA -2.325 54.872 57.345 -0.246 0.000 1.270 197 W CB 1.142 30.343 29.460 -0.431 0.000 1.273 197 W HN 0.366 nan 8.180 nan 0.000 0.424 198 P HA 0.350 nan 4.420 nan 0.000 0.279 198 P C -0.566 176.984 177.300 0.416 0.000 1.239 198 P CA -0.007 63.227 63.100 0.224 0.000 0.789 198 P CB 1.875 33.647 31.700 0.119 0.000 0.933 199 I N 3.723 124.491 120.570 0.330 0.000 2.439 199 I HA 0.438 4.620 4.170 0.020 0.000 0.283 199 I C -0.831 175.494 176.117 0.346 0.000 1.023 199 I CA -0.534 60.956 61.300 0.316 0.000 1.100 199 I CB 1.007 39.164 38.000 0.261 0.000 1.238 199 I HN 0.243 nan 8.210 nan 0.000 0.445 200 F N 5.738 125.752 119.950 0.107 0.000 2.767 200 F HA 0.333 4.872 4.527 0.021 0.000 0.341 200 F C -0.845 175.044 175.800 0.149 0.000 1.192 200 F CA -0.862 57.199 58.000 0.102 0.000 1.127 200 F CB 0.972 39.973 39.000 0.001 0.000 1.388 200 F HN 0.312 nan 8.300 nan 0.000 0.574 201 N N 4.425 123.016 118.700 -0.181 0.000 2.374 201 N HA 0.221 4.973 4.740 0.020 0.000 0.269 201 N C -0.565 174.936 175.510 -0.014 0.000 1.310 201 N CA 0.372 53.376 53.050 -0.076 0.000 0.877 201 N CB 0.425 38.823 38.487 -0.148 0.000 1.096 201 N HN 0.585 nan 8.380 nan 0.000 0.484 202 R N 1.337 121.845 120.500 0.014 0.000 2.548 202 R HA 0.171 4.523 4.340 0.020 0.000 0.280 202 R C -1.760 174.539 176.300 -0.003 0.000 1.061 202 R CA -0.725 55.398 56.100 0.039 0.000 0.915 202 R CB 0.761 31.102 30.300 0.069 0.000 1.210 202 R HN 0.319 nan 8.270 nan 0.000 0.442 203 D N 3.073 123.539 120.400 0.111 0.000 2.367 203 D HA 0.181 4.833 4.640 0.020 0.000 0.255 203 D C -1.030 175.330 176.300 0.100 0.000 1.300 203 D CA 0.688 54.810 54.000 0.204 0.000 0.959 203 D CB 0.308 41.252 40.800 0.241 0.000 1.064 203 D HN 0.608 nan 8.370 nan 0.000 0.509 204 T N -0.291 114.233 114.554 -0.049 0.000 2.868 204 T HA 0.384 4.746 4.350 0.020 0.000 0.306 204 T C -0.120 174.579 174.700 -0.002 0.000 1.224 204 T CA -0.994 61.101 62.100 -0.008 0.000 1.012 204 T CB 1.142 69.990 68.868 -0.034 0.000 1.221 204 T HN 0.076 nan 8.240 nan 0.000 0.499 205 T N 4.103 118.718 114.554 0.101 0.000 2.834 205 T HA 0.347 4.709 4.350 0.020 0.000 0.298 205 T C -2.342 172.435 174.700 0.129 0.000 0.966 205 T CA -0.697 61.505 62.100 0.169 0.000 1.141 205 T CB 0.153 69.141 68.868 0.200 0.000 0.905 205 T HN 0.454 nan 8.240 nan 0.000 0.535 206 P HA 0.144 nan 4.420 nan 0.000 0.266 206 P C -0.589 176.854 177.300 0.237 0.000 1.419 206 P CA -0.310 62.890 63.100 0.167 0.000 1.112 206 P CB -0.064 31.775 31.700 0.232 0.000 1.438 207 N N 1.069 119.872 118.700 0.171 0.000 3.201 207 N HA 0.359 5.111 4.740 0.020 0.000 0.344 207 N C 1.194 176.684 175.510 -0.033 0.000 1.465 207 N CA -0.824 52.376 53.050 0.250 0.000 0.731 207 N CB -0.427 38.214 38.487 0.257 0.000 1.677 207 N HN 0.012 nan 8.380 nan 0.000 0.631 208 G N -1.321 107.499 108.800 0.034 0.000 2.848 208 G HA2 -0.109 3.863 3.960 0.020 0.000 0.208 208 G HA3 -0.109 3.863 3.960 0.020 0.000 0.208 208 G C 0.279 175.140 174.900 -0.064 0.000 1.152 208 G CA 0.013 45.005 45.100 -0.180 0.000 0.789 208 G HN 0.546 nan 8.290 nan 0.000 0.531 209 N N 0.855 119.552 118.700 -0.006 0.000 2.398 209 N HA 0.045 4.797 4.740 0.020 0.000 0.188 209 N C 1.707 177.206 175.510 -0.018 0.000 1.122 209 N CA 0.738 53.788 53.050 0.001 0.000 0.866 209 N CB 0.197 38.701 38.487 0.028 0.000 0.970 209 N HN 0.327 nan 8.380 nan 0.000 0.462 210 G N 1.614 110.428 108.800 0.024 0.000 2.273 210 G HA2 -0.302 3.670 3.960 0.020 0.000 0.280 210 G HA3 -0.302 3.670 3.960 0.020 0.000 0.280 210 G C 0.407 175.386 174.900 0.131 0.000 1.047 210 G CA 1.007 46.189 45.100 0.137 0.000 0.869 210 G HN 0.500 nan 8.290 nan 0.000 0.502 211 T N -1.304 113.332 114.554 0.136 0.000 2.816 211 T HA 0.510 4.872 4.350 0.020 0.000 0.282 211 T C 0.849 175.714 174.700 0.276 0.000 0.993 211 T CA -0.125 62.058 62.100 0.138 0.000 0.994 211 T CB 1.061 69.972 68.868 0.072 0.000 1.025 211 T HN 0.727 nan 8.240 nan 0.000 0.529 212 N N 1.842 120.694 118.700 0.253 0.000 2.412 212 N HA 0.105 4.857 4.740 0.020 0.000 0.254 212 N C -0.283 175.269 175.510 0.069 0.000 1.232 212 N CA -0.098 53.103 53.050 0.252 0.000 0.880 212 N CB 0.346 38.971 38.487 0.230 0.000 1.076 212 N HN 0.706 nan 8.380 nan 0.000 0.458 213 L N 0.232 121.431 121.223 -0.041 0.000 2.778 213 L HA 0.305 4.657 4.340 0.020 0.000 0.246 213 L C 1.118 177.828 176.870 -0.267 0.000 1.820 213 L CA -0.938 53.721 54.840 -0.302 0.000 1.986 213 L CB -0.229 41.629 42.059 -0.335 0.000 2.298 213 L HN 0.337 nan 8.230 nan 0.000 0.580 214 Y N 0.008 120.329 120.300 0.036 0.000 2.373 214 Y HA 0.137 4.700 4.550 0.021 0.000 0.293 214 Y C 1.210 177.114 175.900 0.007 0.000 1.129 214 Y CA 0.489 58.596 58.100 0.012 0.000 1.226 214 Y CB -0.542 37.909 38.460 -0.015 0.000 1.000 214 Y HN 0.395 nan 8.280 nan 0.000 0.549 215 G N -1.053 107.827 108.800 0.133 0.000 2.658 215 G HA2 0.714 4.686 3.960 0.020 0.000 0.292 215 G HA3 0.714 4.686 3.960 0.020 0.000 0.292 215 G C -1.607 173.304 174.900 0.019 0.000 1.320 215 G CA -0.585 44.569 45.100 0.089 0.000 0.933 215 G HN 0.153 nan 8.290 nan 0.000 0.476 216 A N 0.605 123.433 122.820 0.014 0.000 2.375 216 A HA 0.725 5.057 4.320 0.020 0.000 0.291 216 A C -0.839 176.606 177.584 -0.232 0.000 1.160 216 A CA -0.542 51.485 52.037 -0.016 0.000 0.747 216 A CB 1.441 20.564 19.000 0.204 0.000 1.170 216 A HN 0.371 nan 8.150 nan 0.000 0.458 217 Q N 2.028 121.624 119.800 -0.340 0.000 2.414 217 Q HA 0.255 4.607 4.340 0.020 0.000 0.256 217 Q C 0.408 176.237 176.000 -0.284 0.000 0.974 217 Q CA -0.049 55.399 55.803 -0.591 0.000 0.723 217 Q CB 1.507 29.376 28.738 -1.447 0.000 1.281 217 Q HN 0.891 nan 8.270 nan 0.000 0.470 218 T N -1.539 112.990 114.554 -0.042 0.000 3.107 218 T HA 0.165 4.527 4.350 0.020 0.000 0.249 218 T C 0.556 175.459 174.700 0.339 0.000 1.096 218 T CA -0.165 62.044 62.100 0.182 0.000 1.012 218 T CB -0.063 68.857 68.868 0.086 0.000 0.977 218 T HN 0.284 nan 8.240 nan 0.000 0.527 219 F N 3.519 123.534 119.950 0.107 0.000 2.471 219 F HA 0.489 5.028 4.527 0.020 0.000 0.353 219 F C -0.497 175.414 175.800 0.186 0.000 1.113 219 F CA -2.041 55.968 58.000 0.015 0.000 1.262 219 F CB 0.331 39.018 39.000 -0.521 0.000 1.146 219 F HN 0.262 nan 8.300 nan 0.000 0.578 220 F N 5.516 124.904 119.950 -0.936 0.000 2.626 220 F HA 0.728 5.266 4.527 0.020 0.000 0.311 220 F C -2.207 172.847 175.800 -1.243 0.000 1.088 220 F CA -1.538 55.944 58.000 -0.864 0.000 0.949 220 F CB 1.138 39.869 39.000 -0.448 0.000 1.322 220 F HN 0.547 nan 8.300 nan 0.000 0.461 221 L N 2.773 123.664 121.223 -0.553 0.000 2.362 221 L HA 0.755 5.107 4.340 0.020 0.000 0.271 221 L C -1.553 175.235 176.870 -0.136 0.000 1.002 221 L CA -0.579 54.016 54.840 -0.409 0.000 0.818 221 L CB 1.762 43.779 42.059 -0.071 0.000 1.298 221 L HN 1.107 nan 8.230 nan 0.000 0.420 222 C N 5.686 124.783 119.300 -0.339 0.000 2.340 222 C HA 0.553 5.025 4.460 0.020 0.000 0.323 222 C C -0.483 174.429 174.990 -0.130 0.000 1.260 222 C CA -0.911 57.957 59.018 -0.249 0.000 1.464 222 C CB 0.783 28.252 27.740 -0.453 0.000 2.156 222 C HN 0.776 nan 8.230 nan 0.000 0.476 223 L N 6.393 127.584 121.223 -0.054 0.000 2.283 223 L HA 0.412 4.764 4.340 0.020 0.000 0.287 223 L C 1.050 177.824 176.870 -0.161 0.000 1.073 223 L CA 0.816 55.579 54.840 -0.128 0.000 0.822 223 L CB 0.428 42.357 42.059 -0.217 0.000 1.186 223 L HN 0.838 nan 8.230 nan 0.000 0.436 224 E N 2.218 122.387 120.200 -0.051 0.000 2.072 224 E HA -0.042 4.320 4.350 0.020 0.000 0.190 224 E C -0.433 176.135 176.600 -0.054 0.000 0.982 224 E CA 1.465 57.870 56.400 0.008 0.000 0.803 224 E CB 0.133 29.884 29.700 0.085 0.000 0.755 224 E HN 0.929 nan 8.360 nan 0.000 0.453 225 D N -2.971 117.388 120.400 -0.068 0.000 2.738 225 D HA 0.259 4.911 4.640 0.020 0.000 0.308 225 D C -0.249 176.149 176.300 0.164 0.000 1.311 225 D CA -0.200 53.823 54.000 0.038 0.000 0.799 225 D CB 0.208 41.076 40.800 0.115 0.000 1.332 225 D HN -0.101 nan 8.370 nan 0.000 0.441 226 A N -0.279 122.801 122.820 0.432 0.000 2.225 226 A HA 0.027 4.359 4.320 0.020 0.000 0.215 226 A C 1.793 179.628 177.584 0.419 0.000 1.164 226 A CA 1.689 54.071 52.037 0.575 0.000 0.710 226 A CB -1.127 18.183 19.000 0.516 0.000 0.780 226 A HN 0.672 nan 8.150 nan 0.000 0.473 227 S N -2.049 113.809 115.700 0.264 0.000 2.453 227 S HA 0.287 4.769 4.470 0.020 0.000 0.231 227 S C 1.608 176.291 174.600 0.139 0.000 1.005 227 S CA 1.263 59.590 58.200 0.212 0.000 0.949 227 S CB -0.284 62.989 63.200 0.122 0.000 0.774 227 S HN 1.780 nan 8.310 nan 0.000 0.510 228 G N 0.707 109.499 108.800 -0.014 0.000 2.238 228 G HA2 -0.197 3.775 3.960 0.020 0.000 0.217 228 G HA3 -0.197 3.775 3.960 0.020 0.000 0.217 228 G C 0.008 174.695 174.900 -0.355 0.000 0.996 228 G CA -0.110 44.626 45.100 -0.608 0.000 0.632 228 G HN 0.501 nan 8.290 nan 0.000 0.503 229 L N 1.929 123.071 121.223 -0.136 0.000 2.578 229 L HA 0.430 4.782 4.340 0.020 0.000 0.279 229 L C 0.489 177.344 176.870 -0.026 0.000 1.227 229 L CA 0.623 55.430 54.840 -0.055 0.000 0.900 229 L CB 0.747 42.812 42.059 0.010 0.000 1.144 229 L HN 0.265 nan 8.230 nan 0.000 0.496 230 S N 2.474 118.187 115.700 0.021 0.000 2.607 230 S HA 0.807 5.289 4.470 0.020 0.000 0.273 230 S C -0.882 173.851 174.600 0.222 0.000 1.148 230 S CA -0.639 57.597 58.200 0.060 0.000 0.833 230 S CB 2.288 65.445 63.200 -0.072 0.000 1.130 230 S HN 0.492 nan 8.310 nan 0.000 0.470 231 F N -1.273 118.693 119.950 0.027 0.000 2.715 231 F HA 0.976 5.515 4.527 0.020 0.000 0.318 231 F C -0.259 175.570 175.800 0.047 0.000 1.141 231 F CA -0.799 57.247 58.000 0.076 0.000 0.950 231 F CB 1.006 40.051 39.000 0.075 0.000 1.374 231 F HN 0.793 nan 8.300 nan 0.000 0.477 232 G N 0.265 109.097 108.800 0.052 0.000 2.672 232 G HA2 0.648 4.620 3.960 0.020 0.000 0.292 232 G HA3 0.648 4.620 3.960 0.020 0.000 0.292 232 G C -2.484 172.420 174.900 0.008 0.000 1.375 232 G CA -1.137 43.833 45.100 -0.216 0.000 0.890 232 G HN 0.797 nan 8.290 nan 0.000 0.476 233 V N 0.599 120.237 119.914 -0.461 0.000 2.760 233 V HA 0.680 4.812 4.120 0.020 0.000 0.309 233 V C -1.478 174.729 176.094 0.189 0.000 1.077 233 V CA -0.685 61.560 62.300 -0.092 0.000 0.910 233 V CB 1.745 33.476 31.823 -0.154 0.000 1.008 233 V HN 0.781 nan 8.190 nan 0.000 0.424 234 F N 5.806 125.930 119.950 0.289 0.000 2.540 234 F HA 0.818 5.357 4.527 0.020 0.000 0.317 234 F C -1.303 174.561 175.800 0.106 0.000 1.104 234 F CA -1.233 56.932 58.000 0.275 0.000 0.913 234 F CB 1.882 41.171 39.000 0.481 0.000 1.170 234 F HN 0.413 nan 8.300 nan 0.000 0.450 235 L N 7.573 128.258 121.223 -0.897 0.000 2.280 235 L HA 0.532 4.884 4.340 0.020 0.000 0.287 235 L C -0.784 175.240 176.870 -1.410 0.000 1.023 235 L CA -0.674 53.441 54.840 -1.208 0.000 0.819 235 L CB 1.163 42.477 42.059 -1.241 0.000 1.212 235 L HN 0.769 nan 8.230 nan 0.000 0.420 236 M N 6.302 125.253 119.600 -1.082 0.000 2.725 236 M HA 0.384 4.876 4.480 0.020 0.000 0.322 236 M C -1.028 175.099 176.300 -0.289 0.000 1.393 236 M CA 0.501 55.458 55.300 -0.572 0.000 1.452 236 M CB -0.950 31.566 32.600 -0.140 0.000 1.242 236 M HN 0.661 nan 8.290 nan 0.000 0.487 237 N N 1.318 119.938 118.700 -0.134 0.000 2.406 237 N HA 0.227 4.979 4.740 0.020 0.000 0.283 237 N C -0.854 174.781 175.510 0.210 0.000 1.074 237 N CA 0.042 53.082 53.050 -0.016 0.000 0.916 237 N CB 1.578 39.951 38.487 -0.190 0.000 1.639 237 N HN 0.512 nan 8.380 nan 0.000 0.485 238 S N 1.250 117.082 115.700 0.220 0.000 2.568 238 S HA 0.246 4.728 4.470 0.020 0.000 0.232 238 S C 0.308 174.988 174.600 0.133 0.000 0.975 238 S CA -0.616 57.701 58.200 0.195 0.000 0.949 238 S CB -0.199 62.959 63.200 -0.069 0.000 0.829 238 S HN 0.488 nan 8.310 nan 0.000 0.479 239 N N 2.273 121.023 118.700 0.083 0.000 2.424 239 N HA 0.407 5.159 4.740 0.020 0.000 0.257 239 N C 0.136 175.687 175.510 0.068 0.000 1.250 239 N CA 0.109 53.150 53.050 -0.014 0.000 0.946 239 N CB 0.755 39.186 38.487 -0.093 0.000 1.175 239 N HN 0.429 nan 8.380 nan 0.000 0.477 240 A N 1.376 124.193 122.820 -0.005 0.000 2.565 240 A HA 0.215 4.547 4.320 0.020 0.000 0.237 240 A C 0.437 178.018 177.584 -0.005 0.000 1.053 240 A CA 0.535 52.566 52.037 -0.011 0.000 0.755 240 A CB -0.370 18.310 19.000 -0.534 0.000 0.980 240 A HN 0.755 nan 8.150 nan 0.000 0.506 241 M N 1.155 120.803 119.600 0.081 0.000 2.813 241 M HA 0.804 5.296 4.480 0.020 0.000 0.270 241 M C -1.034 175.341 176.300 0.124 0.000 1.267 241 M CA -0.751 54.600 55.300 0.084 0.000 0.822 241 M CB 1.972 34.633 32.600 0.102 0.000 1.671 241 M HN 0.728 nan 8.290 nan 0.000 0.468 242 E N 0.459 120.731 120.200 0.121 0.000 2.408 242 E HA 0.754 5.116 4.350 0.020 0.000 0.275 242 E C -1.754 174.890 176.600 0.073 0.000 0.935 242 E CA -1.147 55.326 56.400 0.122 0.000 0.775 242 E CB 2.870 32.633 29.700 0.106 0.000 1.277 242 E HN 0.529 nan 8.360 nan 0.000 0.455 243 V N 1.426 121.367 119.914 0.044 0.000 2.540 243 V HA 0.368 4.500 4.120 0.020 0.000 0.302 243 V C -0.642 175.396 176.094 -0.094 0.000 1.035 243 V CA -0.830 61.403 62.300 -0.112 0.000 0.873 243 V CB 1.774 33.481 31.823 -0.192 0.000 0.992 243 V HN 0.582 nan 8.190 nan 0.000 0.428 244 V N 6.236 126.059 119.914 -0.152 0.000 2.409 244 V HA 0.506 4.638 4.120 0.020 0.000 0.291 244 V C -0.305 175.678 176.094 -0.185 0.000 1.020 244 V CA -0.447 61.789 62.300 -0.106 0.000 0.848 244 V CB 1.550 33.355 31.823 -0.030 0.000 0.990 244 V HN 0.629 nan 8.190 nan 0.000 0.430 245 L N 6.015 127.127 121.223 -0.185 0.000 2.317 245 L HA 0.747 5.098 4.340 0.020 0.000 0.281 245 L C -0.127 176.542 176.870 -0.335 0.000 1.024 245 L CA -0.422 54.250 54.840 -0.280 0.000 0.810 245 L CB 1.650 43.555 42.059 -0.257 0.000 1.240 245 L HN 0.799 nan 8.230 nan 0.000 0.427 246 Q N 2.305 121.819 119.800 -0.477 0.000 2.501 246 Q HA 0.476 4.828 4.340 0.020 0.000 0.288 246 Q C -2.702 172.859 176.000 -0.733 0.000 1.051 246 Q CA -1.962 53.326 55.803 -0.859 0.000 0.788 246 Q CB 2.651 30.715 28.738 -1.123 0.000 1.469 246 Q HN 0.183 nan 8.270 nan 0.000 0.416 247 P HA 0.028 nan 4.420 nan 0.000 0.245 247 P C 0.895 177.997 177.300 -0.329 0.000 1.212 247 P CA 1.072 63.881 63.100 -0.484 0.000 0.774 247 P CB 0.009 31.466 31.700 -0.404 0.000 0.999 248 A N 1.090 123.703 122.820 -0.344 0.000 1.923 248 A HA -0.160 4.172 4.320 0.020 0.000 0.222 248 A C -0.706 176.785 177.584 -0.155 0.000 1.258 248 A CA 1.595 53.508 52.037 -0.207 0.000 0.670 248 A CB -2.570 16.313 19.000 -0.195 0.000 0.834 248 A HN 0.296 nan 8.150 nan 0.000 0.470 249 P HA 0.591 nan 4.420 nan 0.000 0.281 249 P C -0.737 176.426 177.300 -0.227 0.000 1.249 249 P CA 0.266 63.228 63.100 -0.230 0.000 0.810 249 P CB 1.628 33.205 31.700 -0.205 0.000 1.008 250 A N 1.879 124.528 122.820 -0.285 0.000 2.608 250 A HA 0.736 5.068 4.320 0.020 0.000 0.292 250 A C -1.453 175.938 177.584 -0.323 0.000 1.066 250 A CA -0.612 51.266 52.037 -0.266 0.000 0.676 250 A CB 1.052 19.922 19.000 -0.218 0.000 1.277 250 A HN 0.444 nan 8.150 nan 0.000 0.413 251 I N 0.704 121.081 120.570 -0.322 0.000 2.647 251 I HA 0.538 4.720 4.170 0.020 0.000 0.295 251 I C -0.585 175.369 176.117 -0.270 0.000 1.078 251 I CA -0.401 60.667 61.300 -0.386 0.000 1.048 251 I CB 2.810 40.456 38.000 -0.590 0.000 1.239 251 I HN 0.636 nan 8.210 nan 0.000 0.421 252 T N 4.395 118.800 114.554 -0.248 0.000 2.841 252 T HA 0.513 4.875 4.350 0.020 0.000 0.283 252 T C -1.130 173.480 174.700 -0.149 0.000 1.000 252 T CA -0.452 61.585 62.100 -0.106 0.000 0.977 252 T CB 0.943 69.792 68.868 -0.031 0.000 0.979 252 T HN 0.154 nan 8.240 nan 0.000 0.446 253 Y N 1.812 122.145 120.300 0.054 0.000 2.341 253 Y HA 0.595 5.157 4.550 0.020 0.000 0.337 253 Y C 0.698 176.573 175.900 -0.042 0.000 1.014 253 Y CA -0.857 57.280 58.100 0.061 0.000 1.111 253 Y CB 1.374 39.950 38.460 0.194 0.000 1.194 253 Y HN 0.353 nan 8.280 nan 0.000 0.462 254 R N 2.227 122.752 120.500 0.040 0.000 2.468 254 R HA 0.411 4.763 4.340 0.020 0.000 0.302 254 R C -1.208 174.982 176.300 -0.183 0.000 1.041 254 R CA -0.218 55.752 56.100 -0.216 0.000 0.899 254 R CB 1.229 31.396 30.300 -0.221 0.000 1.167 254 R HN 0.761 nan 8.270 nan 0.000 0.483 255 T N 3.028 117.425 114.554 -0.262 0.000 2.924 255 T HA 0.410 4.771 4.350 0.020 0.000 0.291 255 T C 0.755 175.353 174.700 -0.170 0.000 1.045 255 T CA -0.865 61.144 62.100 -0.152 0.000 1.015 255 T CB 1.015 69.814 68.868 -0.116 0.000 1.103 255 T HN 0.643 nan 8.240 nan 0.000 0.496 256 I N 0.261 120.796 120.570 -0.057 0.000 3.877 256 I HA 0.697 4.879 4.170 0.020 0.000 0.332 256 I C 0.475 176.679 176.117 0.144 0.000 1.525 256 I CA -0.519 60.818 61.300 0.061 0.000 1.146 256 I CB -0.208 37.865 38.000 0.121 0.000 1.137 256 I HN 0.662 nan 8.210 nan 0.000 0.424 257 G N -0.406 108.430 108.800 0.061 0.000 2.427 257 G HA2 0.504 4.476 3.960 0.020 0.000 0.306 257 G HA3 0.504 4.476 3.960 0.020 0.000 0.306 257 G C -0.070 174.877 174.900 0.077 0.000 1.280 257 G CA -0.046 45.148 45.100 0.156 0.000 0.837 257 G HN 0.627 nan 8.290 nan 0.000 0.482 258 G N -0.602 108.304 108.800 0.175 0.000 2.574 258 G HA2 0.164 4.136 3.960 0.020 0.000 0.286 258 G HA3 0.164 4.136 3.960 0.020 0.000 0.286 258 G C 0.361 175.283 174.900 0.037 0.000 1.212 258 G CA 1.476 46.691 45.100 0.191 0.000 0.979 258 G HN 2.203 nan 8.290 nan 0.000 0.557 259 I N -2.929 117.610 120.570 -0.052 0.000 3.074 259 I HA 0.772 4.954 4.170 0.020 0.000 0.310 259 I C -0.239 175.715 176.117 -0.271 0.000 1.153 259 I CA -1.486 59.745 61.300 -0.116 0.000 0.993 259 I CB 2.088 40.077 38.000 -0.019 0.000 1.237 259 I HN 0.521 nan 8.210 nan 0.000 0.443 260 L N 2.847 123.897 121.223 -0.290 0.000 2.282 260 L HA 0.393 4.745 4.340 0.020 0.000 0.287 260 L C -0.942 175.632 176.870 -0.494 0.000 1.075 260 L CA 0.056 54.644 54.840 -0.420 0.000 0.839 260 L CB 0.202 42.160 42.059 -0.170 0.000 1.219 260 L HN 0.557 nan 8.230 nan 0.000 0.434 261 D N 3.750 123.735 120.400 -0.692 0.000 2.453 261 D HA 0.360 5.012 4.640 0.020 0.000 0.238 261 D C -1.126 174.702 176.300 -0.787 0.000 1.088 261 D CA -0.184 53.467 54.000 -0.581 0.000 0.854 261 D CB 0.765 41.367 40.800 -0.329 0.000 1.076 261 D HN -0.000 nan 8.370 nan 0.000 0.533 262 F N 2.655 122.069 119.950 -0.893 0.000 2.508 262 F HA 0.488 5.027 4.527 0.020 0.000 0.325 262 F C -0.467 174.828 175.800 -0.841 0.000 1.090 262 F CA -0.617 56.843 58.000 -0.899 0.000 0.945 262 F CB 1.488 39.653 39.000 -1.392 0.000 1.156 262 F HN 0.198 nan 8.300 nan 0.000 0.463 263 Y N 1.172 121.351 120.300 -0.202 0.000 2.446 263 Y HA 0.726 5.288 4.550 0.020 0.000 0.345 263 Y C -0.751 174.855 175.900 -0.491 0.000 0.984 263 Y CA -1.138 56.738 58.100 -0.373 0.000 1.058 263 Y CB 2.128 40.366 38.460 -0.370 0.000 1.220 263 Y HN 0.191 nan 8.280 nan 0.000 0.455 264 V N 3.733 123.379 119.914 -0.446 0.000 2.638 264 V HA 0.493 4.625 4.120 0.020 0.000 0.306 264 V C -1.189 174.674 176.094 -0.385 0.000 1.052 264 V CA -1.134 61.010 62.300 -0.260 0.000 0.885 264 V CB 1.620 33.417 31.823 -0.043 0.000 0.999 264 V HN 0.502 nan 8.190 nan 0.000 0.424 265 F N 4.463 124.550 119.950 0.229 0.000 2.540 265 F HA 0.779 5.319 4.527 0.020 0.000 0.317 265 F C -0.439 175.493 175.800 0.220 0.000 1.104 265 F CA -0.756 57.364 58.000 0.200 0.000 0.913 265 F CB 1.810 40.941 39.000 0.219 0.000 1.170 265 F HN 0.185 nan 8.300 nan 0.000 0.450 266 L N 1.738 123.172 121.223 0.352 0.000 2.342 266 L HA 0.951 5.303 4.340 0.020 0.000 0.271 266 L C 0.115 177.118 176.870 0.221 0.000 1.008 266 L CA -0.275 54.735 54.840 0.283 0.000 0.818 266 L CB 2.168 44.368 42.059 0.235 0.000 1.296 266 L HN 0.775 nan 8.230 nan 0.000 0.427 267 G N 0.239 109.135 108.800 0.160 0.000 2.695 267 G HA2 0.292 4.264 3.960 0.020 0.000 0.290 267 G HA3 0.292 4.264 3.960 0.020 0.000 0.290 267 G C -0.259 174.663 174.900 0.036 0.000 1.410 267 G CA -0.466 44.686 45.100 0.087 0.000 0.844 267 G HN 0.421 nan 8.290 nan 0.000 0.478 268 N N -0.534 118.166 118.700 0.001 0.000 2.422 268 N HA 0.106 4.858 4.740 0.020 0.000 0.181 268 N C 0.731 176.152 175.510 -0.149 0.000 1.080 268 N CA 1.069 54.096 53.050 -0.038 0.000 0.893 268 N CB 0.547 39.029 38.487 -0.008 0.000 0.973 268 N HN 0.792 nan 8.380 nan 0.000 0.456 269 T N -4.310 110.138 114.554 -0.177 0.000 2.843 269 T HA 0.374 4.736 4.350 0.020 0.000 0.302 269 T C -2.490 172.054 174.700 -0.260 0.000 1.232 269 T CA -1.577 60.317 62.100 -0.343 0.000 1.009 269 T CB 2.460 71.191 68.868 -0.227 0.000 1.254 269 T HN -0.364 nan 8.240 nan 0.000 0.504 270 P HA -0.083 nan 4.420 nan 0.000 0.215 270 P C 1.544 178.634 177.300 -0.350 0.000 1.153 270 P CA 1.016 63.846 63.100 -0.450 0.000 0.853 270 P CB 0.121 31.279 31.700 -0.903 0.000 0.788 271 E N -0.148 119.912 120.200 -0.233 0.000 2.085 271 E HA -0.222 4.140 4.350 0.020 0.000 0.194 271 E C 2.073 178.649 176.600 -0.041 0.000 0.994 271 E CA 1.278 57.654 56.400 -0.039 0.000 0.801 271 E CB -0.566 29.160 29.700 0.042 0.000 0.743 271 E HN 0.470 nan 8.360 nan 0.000 0.453 272 Q N 0.145 119.916 119.800 -0.048 0.000 2.167 272 Q HA -0.092 4.260 4.340 0.020 0.000 0.202 272 Q C 2.361 178.354 176.000 -0.011 0.000 0.970 272 Q CA 0.987 56.775 55.803 -0.024 0.000 0.855 272 Q CB 0.051 28.784 28.738 -0.008 0.000 0.911 272 Q HN 0.108 nan 8.270 nan 0.000 0.438 273 V N 0.109 120.021 119.914 -0.003 0.000 2.295 273 V HA -0.232 3.900 4.120 0.020 0.000 0.246 273 V C 2.237 178.323 176.094 -0.012 0.000 1.049 273 V CA 1.428 63.761 62.300 0.055 0.000 1.024 273 V CB -0.439 31.442 31.823 0.096 0.000 0.648 273 V HN 0.181 nan 8.190 nan 0.000 0.447 274 V N -0.293 119.615 119.914 -0.009 0.000 2.287 274 V HA -0.359 3.773 4.120 0.020 0.000 0.248 274 V C 2.460 178.445 176.094 -0.181 0.000 1.053 274 V CA 2.227 64.483 62.300 -0.075 0.000 1.027 274 V CB -0.844 30.986 31.823 0.012 0.000 0.646 274 V HN 0.593 nan 8.190 nan 0.000 0.447 275 Q N -0.585 119.134 119.800 -0.136 0.000 2.096 275 Q HA -0.219 4.133 4.340 0.020 0.000 0.204 275 Q C 2.376 178.252 176.000 -0.206 0.000 0.982 275 Q CA 1.603 57.306 55.803 -0.166 0.000 0.850 275 Q CB -0.205 28.468 28.738 -0.108 0.000 0.901 275 Q HN 0.613 nan 8.270 nan 0.000 0.422 276 E N 0.004 120.102 120.200 -0.170 0.000 2.072 276 E HA -0.186 4.176 4.350 0.020 0.000 0.191 276 E C 1.789 178.083 176.600 -0.509 0.000 0.985 276 E CA 0.911 57.217 56.400 -0.158 0.000 0.801 276 E CB -0.348 29.394 29.700 0.071 0.000 0.750 276 E HN 0.412 nan 8.360 nan 0.000 0.452 277 Y N 1.679 121.342 120.300 -1.063 0.000 2.128 277 Y HA -0.173 4.389 4.550 0.020 0.000 0.284 277 Y C 2.150 177.522 175.900 -0.881 0.000 1.154 277 Y CA 1.388 58.574 58.100 -1.523 0.000 1.149 277 Y CB -0.482 36.983 38.460 -1.658 0.000 0.976 277 Y HN -0.070 nan 8.280 nan 0.000 0.505 278 L N -0.012 120.708 121.223 -0.837 0.000 2.156 278 L HA -0.127 4.225 4.340 0.020 0.000 0.208 278 L C 2.398 178.951 176.870 -0.528 0.000 1.095 278 L CA 1.528 55.924 54.840 -0.740 0.000 0.770 278 L CB -0.626 41.131 42.059 -0.504 0.000 0.914 278 L HN 0.192 nan 8.230 nan 0.000 0.439 279 E N 1.120 121.092 120.200 -0.381 0.000 2.118 279 E HA -0.257 4.105 4.350 0.020 0.000 0.195 279 E C 1.990 178.484 176.600 -0.177 0.000 0.992 279 E CA 1.387 57.655 56.400 -0.220 0.000 0.804 279 E CB -0.207 29.416 29.700 -0.127 0.000 0.741 279 E HN 0.306 nan 8.360 nan 0.000 0.458 280 L N -0.329 120.733 121.223 -0.270 0.000 2.007 280 L HA 0.045 4.397 4.340 0.020 0.000 0.205 280 L C 2.243 178.941 176.870 -0.287 0.000 1.073 280 L CA 1.698 56.391 54.840 -0.244 0.000 0.744 280 L CB -0.555 41.362 42.059 -0.237 0.000 0.898 280 L HN 0.305 nan 8.230 nan 0.000 0.435 281 I N 0.003 120.210 120.570 -0.605 0.000 3.226 281 I HA 0.326 4.508 4.170 0.020 0.000 0.277 281 I C 0.487 176.322 176.117 -0.471 0.000 1.243 281 I CA 0.782 61.711 61.300 -0.618 0.000 1.459 281 I CB -0.158 37.163 38.000 -1.131 0.000 1.093 281 I HN 0.445 nan 8.210 nan 0.000 0.453 282 G N 1.409 109.795 108.800 -0.688 0.000 3.326 282 G HA2 -0.089 3.883 3.960 0.020 0.000 0.681 282 G HA3 -0.089 3.883 3.960 0.020 0.000 0.681 282 G C -0.419 174.115 174.900 -0.611 0.000 1.255 282 G CA -0.931 43.566 45.100 -1.004 0.000 0.976 282 G HN 0.168 nan 8.290 nan 0.000 0.563 283 R N 3.261 123.454 120.500 -0.512 0.000 2.641 283 R HA 0.444 4.796 4.340 0.020 0.000 0.269 283 R C -1.759 174.373 176.300 -0.280 0.000 1.074 283 R CA -1.128 54.745 56.100 -0.379 0.000 1.133 283 R CB 0.732 30.804 30.300 -0.379 0.000 1.029 283 R HN 0.428 nan 8.270 nan 0.000 0.488 284 P HA 0.014 nan 4.420 nan 0.000 0.272 284 P C -0.856 176.456 177.300 0.021 0.000 1.223 284 P CA -0.147 62.901 63.100 -0.087 0.000 0.784 284 P CB 0.600 32.288 31.700 -0.020 0.000 0.923 285 A N 2.739 125.524 122.820 -0.058 0.000 2.483 285 A HA 0.127 4.459 4.320 0.020 0.000 0.238 285 A C 0.141 177.616 177.584 -0.182 0.000 1.070 285 A CA -0.218 51.751 52.037 -0.114 0.000 0.770 285 A CB -0.515 18.387 19.000 -0.164 0.000 1.008 285 A HN 0.601 nan 8.150 nan 0.000 0.497 286 L N 4.945 125.879 121.223 -0.482 0.000 2.361 286 L HA 0.371 4.723 4.340 0.020 0.000 0.278 286 L C -1.764 174.944 176.870 -0.271 0.000 1.113 286 L CA -1.326 53.276 54.840 -0.396 0.000 0.849 286 L CB 0.378 42.098 42.059 -0.566 0.000 1.155 286 L HN 0.519 nan 8.230 nan 0.000 0.452 287 P HA 0.140 nan 4.420 nan 0.000 0.274 287 P C -0.687 176.463 177.300 -0.249 0.000 1.246 287 P CA -0.476 62.441 63.100 -0.306 0.000 0.795 287 P CB 0.601 32.002 31.700 -0.499 0.000 1.006 288 S N 0.586 116.044 115.700 -0.403 0.000 2.560 288 S HA -0.041 4.441 4.470 0.020 0.000 0.284 288 S C 1.023 175.331 174.600 -0.487 0.000 1.327 288 S CA -0.160 57.736 58.200 -0.507 0.000 1.055 288 S CB -0.309 62.258 63.200 -1.055 0.000 0.868 288 S HN 0.473 nan 8.310 nan 0.000 0.506 289 Y N 3.104 123.119 120.300 -0.475 0.000 2.274 289 Y HA -0.174 4.387 4.550 0.019 0.000 0.290 289 Y C 1.988 177.685 175.900 -0.338 0.000 1.145 289 Y CA 1.779 59.557 58.100 -0.536 0.000 1.203 289 Y CB -0.056 37.965 38.460 -0.732 0.000 0.984 289 Y HN 0.916 nan 8.280 nan 0.000 0.533 290 W N -0.772 120.482 121.300 -0.078 0.000 2.425 290 W HA -0.029 4.648 4.660 0.028 0.000 0.277 290 W C 1.842 178.225 176.519 -0.227 0.000 1.231 290 W CA 0.824 58.090 57.345 -0.132 0.000 1.248 290 W CB -1.133 28.247 29.460 -0.133 0.000 1.117 290 W HN 0.181 nan 8.180 nan 0.000 0.568 291 A N 1.725 124.216 122.820 -0.549 0.000 2.121 291 A HA -0.011 4.321 4.320 0.020 0.000 0.218 291 A C 2.137 179.655 177.584 -0.110 0.000 1.154 291 A CA 0.980 52.724 52.037 -0.488 0.000 0.679 291 A CB -0.846 17.707 19.000 -0.745 0.000 0.795 291 A HN 0.380 nan 8.150 nan 0.000 0.458 292 L N -0.710 120.360 121.223 -0.254 0.000 2.478 292 L HA 0.072 4.424 4.340 0.020 0.000 0.223 292 L C 1.807 178.594 176.870 -0.138 0.000 1.140 292 L CA 0.012 54.720 54.840 -0.221 0.000 0.842 292 L CB -0.661 41.136 42.059 -0.437 0.000 0.953 292 L HN 0.454 nan 8.230 nan 0.000 0.452 293 G N -0.503 108.223 108.800 -0.123 0.000 2.516 293 G HA2 0.082 4.054 3.960 0.020 0.000 0.276 293 G HA3 0.082 4.054 3.960 0.020 0.000 0.276 293 G C -0.836 174.232 174.900 0.280 0.000 1.390 293 G CA -0.445 44.629 45.100 -0.043 0.000 1.050 293 G HN -0.067 nan 8.290 nan 0.000 0.519 294 F N 0.003 120.150 119.950 0.328 0.000 2.396 294 F HA 0.535 5.073 4.527 0.018 0.000 0.343 294 F C -0.122 175.786 175.800 0.180 0.000 1.104 294 F CA -0.868 57.287 58.000 0.258 0.000 1.161 294 F CB 0.898 40.041 39.000 0.238 0.000 1.146 294 F HN 0.340 nan 8.300 nan 0.000 0.522 295 H N 5.136 123.746 119.070 -0.766 0.000 2.492 295 H HA 0.648 5.217 4.556 0.021 0.000 0.345 295 H C -1.260 173.477 175.328 -0.984 0.000 1.136 295 H CA -0.763 54.932 56.048 -0.588 0.000 1.202 295 H CB 1.767 31.227 29.762 -0.503 0.000 1.524 295 H HN 0.652 nan 8.280 nan 0.000 0.506 296 L N 1.427 122.457 121.223 -0.322 0.000 2.381 296 L HA 0.734 5.086 4.340 0.020 0.000 0.268 296 L C -0.656 176.242 176.870 0.048 0.000 0.997 296 L CA -0.149 54.544 54.840 -0.244 0.000 0.818 296 L CB 1.980 43.916 42.059 -0.206 0.000 1.310 296 L HN 0.647 nan 8.230 nan 0.000 0.416 297 S N 3.349 119.122 115.700 0.123 0.000 2.552 297 S HA 0.904 5.386 4.470 0.020 0.000 0.272 297 S C -1.598 173.235 174.600 0.387 0.000 1.150 297 S CA -0.633 57.760 58.200 0.322 0.000 0.849 297 S CB 1.300 64.487 63.200 -0.021 0.000 1.113 297 S HN 0.967 nan 8.310 nan 0.000 0.458 298 R N 1.793 122.478 120.500 0.307 0.000 2.692 298 R HA 0.407 4.759 4.340 0.020 0.000 0.269 298 R C -1.865 174.545 176.300 0.184 0.000 1.030 298 R CA -1.046 55.068 56.100 0.024 0.000 0.882 298 R CB 0.589 30.610 30.300 -0.465 0.000 1.250 298 R HN 0.670 nan 8.270 nan 0.000 0.465 299 Y N 2.561 122.869 120.300 0.014 0.000 2.393 299 Y HA 0.127 4.687 4.550 0.018 0.000 0.338 299 Y C -0.414 175.407 175.900 -0.131 0.000 1.029 299 Y CA -0.225 57.913 58.100 0.064 0.000 1.239 299 Y CB 0.696 39.245 38.460 0.148 0.000 1.170 299 Y HN 0.814 nan 8.280 nan 0.000 0.515 300 E N 4.967 125.224 120.200 0.096 0.000 2.346 300 E HA -0.287 4.075 4.350 0.020 0.000 0.200 300 E C -0.380 176.151 176.600 -0.114 0.000 1.331 300 E CA 0.607 56.958 56.400 -0.082 0.000 0.668 300 E CB -1.621 27.868 29.700 -0.351 0.000 1.157 300 E HN 0.950 nan 8.360 nan 0.000 0.393 301 Y N -0.019 120.350 120.300 0.115 0.000 2.274 301 Y HA -0.191 4.383 4.550 0.039 0.000 0.290 301 Y C 2.422 178.339 175.900 0.029 0.000 1.145 301 Y CA 1.966 60.110 58.100 0.074 0.000 1.203 301 Y CB -0.027 38.501 38.460 0.113 0.000 0.984 301 Y HN 0.657 nan 8.280 nan 0.000 0.533 302 G N -0.887 108.059 108.800 0.243 0.000 2.527 302 G HA2 -0.294 3.678 3.960 0.020 0.000 0.218 302 G HA3 -0.294 3.678 3.960 0.020 0.000 0.218 302 G C 0.467 175.444 174.900 0.130 0.000 1.177 302 G CA 0.463 45.646 45.100 0.137 0.000 0.695 302 G HN 0.626 nan 8.290 nan 0.000 0.517 303 T N -2.091 112.412 114.554 -0.084 0.000 2.896 303 T HA 0.668 5.030 4.350 0.020 0.000 0.297 303 T C 0.930 175.056 174.700 -0.957 0.000 1.108 303 T CA 0.208 61.997 62.100 -0.517 0.000 1.004 303 T CB 2.087 70.769 68.868 -0.310 0.000 1.159 303 T HN 1.072 nan 8.240 nan 0.000 0.499 304 L N 0.957 121.265 121.223 -1.525 0.000 2.083 304 L HA 0.076 4.428 4.340 0.020 0.000 0.209 304 L C 1.821 178.315 176.870 -0.626 0.000 1.083 304 L CA 2.004 56.128 54.840 -1.192 0.000 0.752 304 L CB -1.041 40.439 42.059 -0.964 0.000 0.899 304 L HN 0.768 nan 8.230 nan 0.000 0.433 305 D N -0.306 119.834 120.400 -0.432 0.000 2.123 305 D HA -0.183 4.469 4.640 0.020 0.000 0.196 305 D C 1.894 178.073 176.300 -0.203 0.000 0.992 305 D CA 1.235 55.086 54.000 -0.249 0.000 0.833 305 D CB -0.245 40.452 40.800 -0.172 0.000 0.954 305 D HN 0.378 nan 8.370 nan 0.000 0.455 306 N N 0.159 118.741 118.700 -0.196 0.000 2.142 306 N HA -0.115 4.637 4.740 0.020 0.000 0.186 306 N C 1.823 177.252 175.510 -0.134 0.000 1.023 306 N CA 0.493 53.490 53.050 -0.088 0.000 0.852 306 N CB -0.381 38.108 38.487 0.004 0.000 0.998 306 N HN 0.269 nan 8.380 nan 0.000 0.424 307 M N 0.813 120.203 119.600 -0.350 0.000 2.086 307 M HA -0.154 4.338 4.480 0.020 0.000 0.261 307 M C 2.243 178.304 176.300 -0.398 0.000 1.067 307 M CA 1.468 56.334 55.300 -0.723 0.000 1.116 307 M CB 0.029 32.164 32.600 -0.775 0.000 1.348 307 M HN 0.004 nan 8.290 nan 0.000 0.407 308 R N 0.129 120.432 120.500 -0.328 0.000 2.096 308 R HA -0.220 4.132 4.340 0.020 0.000 0.235 308 R C 2.054 178.350 176.300 -0.006 0.000 1.127 308 R CA 2.107 58.153 56.100 -0.090 0.000 0.968 308 R CB -0.399 29.830 30.300 -0.118 0.000 0.861 308 R HN 0.592 nan 8.270 nan 0.000 0.440 309 E N -0.189 119.984 120.200 -0.045 0.000 2.077 309 E HA -0.151 4.211 4.350 0.020 0.000 0.193 309 E C 1.843 178.466 176.600 0.039 0.000 0.989 309 E CA 1.461 57.862 56.400 0.001 0.000 0.800 309 E CB 0.132 29.827 29.700 -0.009 0.000 0.746 309 E HN 0.234 nan 8.360 nan 0.000 0.452 310 V N 0.583 120.519 119.914 0.037 0.000 2.295 310 V HA -0.250 3.882 4.120 0.020 0.000 0.246 310 V C 2.473 178.652 176.094 0.142 0.000 1.049 310 V CA 1.484 63.842 62.300 0.097 0.000 1.024 310 V CB -0.370 31.553 31.823 0.166 0.000 0.648 310 V HN 0.208 nan 8.190 nan 0.000 0.447 311 V N -0.147 119.870 119.914 0.172 0.000 2.282 311 V HA -0.264 3.868 4.120 0.020 0.000 0.249 311 V C 2.629 178.887 176.094 0.273 0.000 1.057 311 V CA 2.107 64.607 62.300 0.333 0.000 1.032 311 V CB -0.661 31.354 31.823 0.319 0.000 0.645 311 V HN 0.554 nan 8.190 nan 0.000 0.447 312 E N 0.370 120.667 120.200 0.162 0.000 2.106 312 E HA -0.207 4.155 4.350 0.020 0.000 0.192 312 E C 2.361 179.026 176.600 0.109 0.000 0.984 312 E CA 1.516 57.987 56.400 0.118 0.000 0.806 312 E CB -0.347 29.399 29.700 0.076 0.000 0.750 312 E HN 0.788 nan 8.360 nan 0.000 0.458 313 R N 0.844 121.404 120.500 0.100 0.000 2.115 313 R HA 0.028 4.380 4.340 0.020 0.000 0.230 313 R C 1.772 178.128 176.300 0.094 0.000 1.111 313 R CA 1.270 57.419 56.100 0.081 0.000 0.976 313 R CB -0.355 29.982 30.300 0.062 0.000 0.870 313 R HN 0.053 nan 8.270 nan 0.000 0.445 314 N N 1.009 119.784 118.700 0.126 0.000 2.188 314 N HA -0.079 4.673 4.740 0.020 0.000 0.184 314 N C 1.799 177.431 175.510 0.204 0.000 1.018 314 N CA 1.101 54.224 53.050 0.123 0.000 0.858 314 N CB -0.132 38.349 38.487 -0.010 0.000 0.989 314 N HN 0.356 nan 8.380 nan 0.000 0.426 315 R N 1.047 121.706 120.500 0.266 0.000 2.081 315 R HA 0.008 4.360 4.340 0.020 0.000 0.235 315 R C 2.285 178.643 176.300 0.096 0.000 1.131 315 R CA 1.155 57.364 56.100 0.181 0.000 0.960 315 R CB -0.302 30.070 30.300 0.120 0.000 0.856 315 R HN 0.166 nan 8.270 nan 0.000 0.436 316 A N 1.239 124.108 122.820 0.082 0.000 1.978 316 A HA -0.103 4.229 4.320 0.020 0.000 0.220 316 A C 2.204 179.814 177.584 0.043 0.000 1.170 316 A CA 1.693 53.760 52.037 0.051 0.000 0.636 316 A CB -0.425 18.602 19.000 0.046 0.000 0.810 316 A HN 0.394 nan 8.150 nan 0.000 0.448 317 A N -1.932 120.918 122.820 0.051 0.000 2.235 317 A HA 0.190 4.522 4.320 0.020 0.000 0.208 317 A C 0.858 178.454 177.584 0.021 0.000 1.172 317 A CA 0.897 52.954 52.037 0.034 0.000 0.786 317 A CB -0.189 18.832 19.000 0.034 0.000 0.804 317 A HN 0.474 nan 8.150 nan 0.000 0.479 318 Q N -2.204 117.614 119.800 0.031 0.000 2.475 318 Q HA -0.206 4.146 4.340 0.020 0.000 0.280 318 Q C -0.308 175.686 176.000 -0.010 0.000 1.234 318 Q CA 0.622 56.433 55.803 0.013 0.000 0.873 318 Q CB -2.442 26.294 28.738 -0.004 0.000 1.256 318 Q HN 0.550 nan 8.270 nan 0.000 0.475 319 L N 1.604 122.839 121.223 0.020 0.000 2.410 319 L HA 0.241 4.593 4.340 0.020 0.000 0.273 319 L C -1.874 174.980 176.870 -0.026 0.000 1.152 319 L CA -1.006 53.817 54.840 -0.029 0.000 0.855 319 L CB 0.488 42.536 42.059 -0.018 0.000 1.129 319 L HN -0.131 nan 8.230 nan 0.000 0.463 320 P HA 0.062 nan 4.420 nan 0.000 0.267 320 P C -1.771 175.545 177.300 0.026 0.000 1.209 320 P CA 0.457 63.301 63.100 -0.427 0.000 0.763 320 P CB 0.153 31.206 31.700 -1.078 0.000 0.816 321 Y N 2.708 123.039 120.300 0.052 0.000 2.265 321 Y HA 0.209 4.769 4.550 0.016 0.000 0.324 321 Y C -0.493 175.505 175.900 0.164 0.000 1.197 321 Y CA -0.910 57.337 58.100 0.244 0.000 1.318 321 Y CB 0.347 38.929 38.460 0.204 0.000 1.223 321 Y HN 0.251 nan 8.280 nan 0.000 0.419 322 D N 2.650 123.232 120.400 0.305 0.000 2.324 322 D HA 0.257 4.909 4.640 0.020 0.000 0.212 322 D C -0.412 175.812 176.300 -0.127 0.000 0.984 322 D CA 1.190 55.226 54.000 0.060 0.000 0.885 322 D CB 0.826 41.702 40.800 0.125 0.000 0.996 322 D HN 0.160 nan 8.370 nan 0.000 0.505 323 V N 0.943 120.810 119.914 -0.079 0.000 2.638 323 V HA 0.438 4.570 4.120 0.020 0.000 0.306 323 V C -0.823 175.375 176.094 0.174 0.000 1.052 323 V CA -0.975 61.264 62.300 -0.100 0.000 0.885 323 V CB 1.901 33.528 31.823 -0.326 0.000 0.999 323 V HN -0.156 nan 8.190 nan 0.000 0.424 324 Q N 2.774 122.686 119.800 0.186 0.000 2.316 324 Q HA 0.461 4.813 4.340 0.020 0.000 0.264 324 Q C -0.935 175.332 176.000 0.446 0.000 0.987 324 Q CA -0.218 55.808 55.803 0.372 0.000 0.852 324 Q CB 1.176 30.096 28.738 0.304 0.000 1.287 324 Q HN 0.834 nan 8.270 nan 0.000 0.448 325 H N 1.444 120.700 119.070 0.309 0.000 2.479 325 H HA 0.775 5.341 4.556 0.018 0.000 0.335 325 H C -1.055 174.565 175.328 0.488 0.000 1.142 325 H CA -0.958 55.315 56.048 0.375 0.000 1.234 325 H CB 1.865 31.788 29.762 0.268 0.000 1.503 325 H HN 0.712 nan 8.280 nan 0.000 0.510 326 A N 3.234 126.403 122.820 0.582 0.000 2.291 326 A HA 0.191 4.523 4.320 0.020 0.000 0.311 326 A C -0.335 177.592 177.584 0.572 0.000 1.224 326 A CA -0.703 51.665 52.037 0.552 0.000 0.821 326 A CB 0.984 20.227 19.000 0.405 0.000 1.172 326 A HN 0.717 nan 8.150 nan 0.000 0.494 327 D N 1.309 122.004 120.400 0.493 0.000 2.507 327 D HA 0.244 4.896 4.640 0.020 0.000 0.280 327 D C 1.755 178.037 176.300 -0.030 0.000 1.219 327 D CA -0.211 53.908 54.000 0.198 0.000 1.085 327 D CB 0.706 41.689 40.800 0.305 0.000 1.134 327 D HN 0.494 nan 8.370 nan 0.000 0.583 328 I N -1.176 119.216 120.570 -0.296 0.000 2.916 328 I HA -0.119 4.063 4.170 0.020 0.000 0.267 328 I C 1.151 177.008 176.117 -0.433 0.000 1.263 328 I CA 0.741 61.741 61.300 -0.500 0.000 1.471 328 I CB -0.448 37.176 38.000 -0.627 0.000 1.089 328 I HN 0.166 nan 8.210 nan 0.000 0.468 329 D N 2.051 122.334 120.400 -0.195 0.000 2.263 329 D HA -0.297 4.355 4.640 0.020 0.000 0.208 329 D C 2.005 177.989 176.300 -0.526 0.000 0.971 329 D CA 1.445 55.356 54.000 -0.149 0.000 0.867 329 D CB -0.895 39.976 40.800 0.117 0.000 0.929 329 D HN 0.759 nan 8.370 nan 0.000 0.492 330 Y N 0.433 120.227 120.300 -0.844 0.000 2.439 330 Y HA 0.170 4.731 4.550 0.018 0.000 0.292 330 Y C 1.329 176.820 175.900 -0.682 0.000 1.130 330 Y CA -0.497 56.655 58.100 -1.579 0.000 1.254 330 Y CB -0.636 37.103 38.460 -1.201 0.000 1.000 330 Y HN -0.206 nan 8.280 nan 0.000 0.554 331 M N 1.438 120.532 119.600 -0.843 0.000 2.202 331 M HA 0.040 4.532 4.480 0.020 0.000 0.316 331 M C -0.282 175.891 176.300 -0.212 0.000 1.138 331 M CA -0.157 54.832 55.300 -0.519 0.000 1.151 331 M CB 0.260 32.476 32.600 -0.639 0.000 1.422 331 M HN 0.047 nan 8.290 nan 0.000 0.471 332 D N 2.513 122.850 120.400 -0.104 0.000 2.374 332 D HA 0.013 4.665 4.640 0.020 0.000 0.240 332 D C -0.290 175.943 176.300 -0.111 0.000 1.229 332 D CA 0.419 54.380 54.000 -0.064 0.000 0.895 332 D CB 0.239 41.022 40.800 -0.028 0.000 1.046 332 D HN 0.515 nan 8.370 nan 0.000 0.498 333 E N 3.513 123.655 120.200 -0.097 0.000 2.360 333 E HA -0.295 4.067 4.350 0.020 0.000 0.238 333 E C 0.094 176.618 176.600 -0.126 0.000 1.186 333 E CA 0.461 56.803 56.400 -0.097 0.000 0.719 333 E CB -1.202 28.444 29.700 -0.090 0.000 1.236 333 E HN 0.776 nan 8.360 nan 0.000 0.386 334 R N -1.812 118.586 120.500 -0.170 0.000 3.875 334 R HA -0.228 4.124 4.340 0.020 0.000 0.321 334 R C 0.095 176.281 176.300 -0.191 0.000 1.196 334 R CA 1.404 57.389 56.100 -0.191 0.000 0.868 334 R CB -1.338 28.919 30.300 -0.071 0.000 1.333 334 R HN 0.284 nan 8.270 nan 0.000 0.522 335 R N 1.179 121.539 120.500 -0.233 0.000 2.346 335 R HA 0.186 4.538 4.340 0.020 0.000 0.311 335 R C -0.195 175.978 176.300 -0.211 0.000 0.983 335 R CA -1.035 54.932 56.100 -0.222 0.000 0.880 335 R CB 0.946 31.030 30.300 -0.361 0.000 1.100 335 R HN -0.031 nan 8.270 nan 0.000 0.453 336 D N 2.040 122.312 120.400 -0.214 0.000 2.478 336 D HA -0.070 4.582 4.640 0.020 0.000 0.234 336 D C 0.324 176.307 176.300 -0.529 0.000 1.154 336 D CA 0.812 54.457 54.000 -0.592 0.000 0.874 336 D CB 0.199 40.474 40.800 -0.876 0.000 1.198 336 D HN 0.416 nan 8.370 nan 0.000 0.455 337 F N -1.912 117.649 119.950 -0.648 0.000 3.043 337 F HA -0.249 4.289 4.527 0.019 0.000 0.290 337 F C 0.827 176.198 175.800 -0.716 0.000 0.844 337 F CA 0.763 58.091 58.000 -1.120 0.000 1.184 337 F CB -2.708 35.933 39.000 -0.598 0.000 1.246 337 F HN 0.313 nan 8.300 nan 0.000 0.536 338 T N -2.431 111.920 114.554 -0.338 0.000 2.883 338 T HA 0.796 5.158 4.350 0.020 0.000 0.296 338 T C -0.852 174.091 174.700 0.406 0.000 1.117 338 T CA -0.544 61.630 62.100 0.124 0.000 1.006 338 T CB 3.183 72.104 68.868 0.088 0.000 1.191 338 T HN 0.608 nan 8.240 nan 0.000 0.508 339 Y N -0.925 119.625 120.300 0.417 0.000 2.576 339 Y HA 0.717 5.284 4.550 0.028 0.000 0.346 339 Y C -0.719 175.298 175.900 0.194 0.000 1.018 339 Y CA -1.474 56.839 58.100 0.355 0.000 1.050 339 Y CB 1.093 39.907 38.460 0.590 0.000 1.280 339 Y HN 0.621 nan 8.280 nan 0.000 0.474 340 D N 1.801 122.380 120.400 0.298 0.000 2.342 340 D HA 0.031 4.683 4.640 0.020 0.000 0.260 340 D C 1.030 177.514 176.300 0.306 0.000 1.278 340 D CA 0.693 54.821 54.000 0.214 0.000 0.910 340 D CB 1.039 41.971 40.800 0.221 0.000 1.079 340 D HN 0.753 nan 8.370 nan 0.000 0.496 341 S N 2.119 117.895 115.700 0.128 0.000 2.507 341 S HA -0.086 4.396 4.470 0.020 0.000 0.235 341 S C 1.595 176.289 174.600 0.157 0.000 0.988 341 S CA 0.453 58.733 58.200 0.132 0.000 0.944 341 S CB 0.174 63.382 63.200 0.013 0.000 0.762 341 S HN 0.319 nan 8.310 nan 0.000 0.526 342 V N 1.678 121.671 119.914 0.131 0.000 2.484 342 V HA 0.049 4.181 4.120 0.020 0.000 0.236 342 V C 2.120 178.264 176.094 0.083 0.000 1.062 342 V CA 1.310 63.664 62.300 0.090 0.000 1.081 342 V CB -0.583 31.273 31.823 0.055 0.000 0.751 342 V HN 0.324 nan 8.190 nan 0.000 0.484 343 D N -0.257 120.208 120.400 0.109 0.000 2.224 343 D HA -0.035 4.617 4.640 0.020 0.000 0.205 343 D C 0.961 177.193 176.300 -0.113 0.000 0.965 343 D CA 1.221 55.241 54.000 0.033 0.000 0.852 343 D CB 0.002 40.871 40.800 0.116 0.000 0.947 343 D HN 0.435 nan 8.370 nan 0.000 0.494 344 F N 0.626 120.586 119.950 0.015 0.000 2.855 344 F HA 0.204 4.759 4.527 0.047 0.000 0.317 344 F C 0.771 176.648 175.800 0.129 0.000 1.169 344 F CA -0.729 57.246 58.000 -0.041 0.000 1.299 344 F CB 0.214 39.087 39.000 -0.212 0.000 0.962 344 F HN -0.380 nan 8.300 nan 0.000 0.506 345 K N 0.475 121.002 120.400 0.212 0.000 2.451 345 K HA 0.336 4.668 4.320 0.020 0.000 0.280 345 K C 1.221 177.919 176.600 0.163 0.000 1.020 345 K CA 1.086 57.514 56.287 0.236 0.000 1.008 345 K CB 0.288 32.869 32.500 0.134 0.000 0.917 345 K HN 0.536 nan 8.250 nan 0.000 0.478 346 G N 4.307 113.229 108.800 0.204 0.000 2.136 346 G HA2 -0.268 3.704 3.960 0.020 0.000 0.242 346 G HA3 -0.268 3.704 3.960 0.020 0.000 0.242 346 G C 0.351 175.348 174.900 0.161 0.000 0.989 346 G CA 0.109 45.292 45.100 0.138 0.000 0.682 346 G HN 0.691 nan 8.290 nan 0.000 0.522 347 F N 1.961 121.848 119.950 -0.104 0.000 2.091 347 F HA -0.004 4.520 4.527 -0.005 0.000 0.299 347 F C 0.474 176.183 175.800 -0.151 0.000 1.103 347 F CA 1.864 59.747 58.000 -0.195 0.000 1.228 347 F CB -1.266 37.375 39.000 -0.598 0.000 0.984 347 F HN 0.282 nan 8.300 nan 0.000 0.477 348 P HA -0.163 nan 4.420 nan 0.000 0.218 348 P C 1.311 178.523 177.300 -0.147 0.000 1.148 348 P CA 1.995 64.961 63.100 -0.224 0.000 0.822 348 P CB -0.105 31.522 31.700 -0.122 0.000 0.784 349 E N -1.596 118.582 120.200 -0.037 0.000 2.106 349 E HA -0.169 4.193 4.350 0.020 0.000 0.192 349 E C 1.724 178.312 176.600 -0.021 0.000 0.984 349 E CA 0.742 57.127 56.400 -0.025 0.000 0.806 349 E CB -0.669 29.044 29.700 0.022 0.000 0.750 349 E HN 0.248 nan 8.360 nan 0.000 0.458 350 F N 1.084 120.971 119.950 -0.105 0.000 2.186 350 F HA -0.163 4.342 4.527 -0.036 0.000 0.299 350 F C 1.925 177.596 175.800 -0.215 0.000 1.090 350 F CA 0.867 58.809 58.000 -0.096 0.000 1.307 350 F CB -0.162 38.861 39.000 0.038 0.000 1.019 350 F HN -0.207 nan 8.300 nan 0.000 0.489 351 V N 1.142 120.800 119.914 -0.425 0.000 2.332 351 V HA -0.345 3.787 4.120 0.020 0.000 0.248 351 V C 2.218 177.855 176.094 -0.762 0.000 1.055 351 V CA 2.187 64.049 62.300 -0.730 0.000 1.038 351 V CB -0.964 30.447 31.823 -0.687 0.000 0.651 351 V HN 0.349 nan 8.190 nan 0.000 0.450 352 N N 0.258 118.689 118.700 -0.447 0.000 2.104 352 N HA -0.184 4.568 4.740 0.020 0.000 0.190 352 N C 1.832 177.179 175.510 -0.272 0.000 1.024 352 N CA 1.600 54.477 53.050 -0.288 0.000 0.853 352 N CB -0.332 38.056 38.487 -0.165 0.000 1.008 352 N HN 0.614 nan 8.380 nan 0.000 0.424 353 E N 0.489 120.508 120.200 -0.301 0.000 2.058 353 E HA -0.123 4.239 4.350 0.020 0.000 0.194 353 E C 2.060 178.450 176.600 -0.350 0.000 0.997 353 E CA 0.723 56.961 56.400 -0.270 0.000 0.801 353 E CB -0.177 29.391 29.700 -0.220 0.000 0.746 353 E HN 0.288 nan 8.360 nan 0.000 0.450 354 L N 0.093 120.971 121.223 -0.575 0.000 2.012 354 L HA -0.236 4.116 4.340 0.020 0.000 0.210 354 L C 2.408 179.101 176.870 -0.296 0.000 1.073 354 L CA 1.580 56.103 54.840 -0.528 0.000 0.748 354 L CB -0.566 41.071 42.059 -0.703 0.000 0.891 354 L HN 0.293 nan 8.230 nan 0.000 0.431 355 H N -1.327 117.542 119.070 -0.336 0.000 2.353 355 H HA -0.174 4.399 4.556 0.030 0.000 0.300 355 H C 2.051 177.249 175.328 -0.216 0.000 1.090 355 H CA 1.212 57.095 56.048 -0.274 0.000 1.327 355 H CB 0.082 29.694 29.762 -0.251 0.000 1.383 355 H HN 0.286 nan 8.280 nan 0.000 0.508 356 N N 1.077 119.736 118.700 -0.069 0.000 2.289 356 N HA -0.132 4.620 4.740 0.020 0.000 0.184 356 N C 0.748 176.201 175.510 -0.094 0.000 1.016 356 N CA 1.138 54.139 53.050 -0.082 0.000 0.872 356 N CB -0.160 38.275 38.487 -0.086 0.000 0.973 356 N HN 0.367 nan 8.380 nan 0.000 0.433 357 N N -1.013 117.612 118.700 -0.126 0.000 2.398 357 N HA 0.155 4.907 4.740 0.020 0.000 0.188 357 N C 0.441 175.876 175.510 -0.126 0.000 1.122 357 N CA 0.381 53.356 53.050 -0.125 0.000 0.866 357 N CB 0.317 38.709 38.487 -0.157 0.000 0.970 357 N HN 0.260 nan 8.380 nan 0.000 0.462 358 G N 0.919 109.644 108.800 -0.125 0.000 2.160 358 G HA2 -0.296 3.676 3.960 0.020 0.000 0.251 358 G HA3 -0.296 3.676 3.960 0.020 0.000 0.251 358 G C -0.120 174.677 174.900 -0.171 0.000 1.008 358 G CA 0.122 45.145 45.100 -0.128 0.000 0.724 358 G HN 0.353 nan 8.290 nan 0.000 0.514 359 Q N -0.853 118.819 119.800 -0.214 0.000 2.252 359 Q HA 0.749 5.101 4.340 0.020 0.000 0.256 359 Q C -0.085 175.740 176.000 -0.293 0.000 1.020 359 Q CA -0.861 54.774 55.803 -0.281 0.000 0.913 359 Q CB 1.239 29.758 28.738 -0.365 0.000 1.286 359 Q HN 0.105 nan 8.270 nan 0.000 0.480 360 K N 0.884 121.056 120.400 -0.380 0.000 2.385 360 K HA 0.511 4.843 4.320 0.020 0.000 0.248 360 K C -1.380 175.054 176.600 -0.276 0.000 0.955 360 K CA -0.929 55.074 56.287 -0.473 0.000 0.816 360 K CB 1.890 33.725 32.500 -1.109 0.000 1.250 360 K HN 0.391 nan 8.250 nan 0.000 0.434 361 L N 1.358 122.480 121.223 -0.168 0.000 2.322 361 L HA 0.461 4.813 4.340 0.020 0.000 0.281 361 L C -1.243 175.668 176.870 0.067 0.000 1.014 361 L CA -0.631 54.188 54.840 -0.036 0.000 0.815 361 L CB 1.784 43.801 42.059 -0.069 0.000 1.247 361 L HN 0.305 nan 8.230 nan 0.000 0.421 362 V N 6.421 126.379 119.914 0.073 0.000 2.448 362 V HA 0.482 4.614 4.120 0.020 0.000 0.295 362 V C -0.002 176.187 176.094 0.158 0.000 1.025 362 V CA -0.518 61.838 62.300 0.095 0.000 0.859 362 V CB 1.607 33.302 31.823 -0.214 0.000 0.988 362 V HN 0.753 nan 8.190 nan 0.000 0.431 363 I N 3.105 123.781 120.570 0.177 0.000 2.460 363 I HA 0.636 4.818 4.170 0.020 0.000 0.298 363 I C -0.150 176.097 176.117 0.216 0.000 0.989 363 I CA -0.551 60.836 61.300 0.144 0.000 1.173 363 I CB 1.601 39.539 38.000 -0.103 0.000 1.338 363 I HN 0.537 nan 8.210 nan 0.000 0.456 364 I N 5.902 126.590 120.570 0.196 0.000 2.575 364 I HA 0.395 4.577 4.170 0.020 0.000 0.285 364 I C -0.749 175.321 176.117 -0.077 0.000 1.085 364 I CA -0.255 60.927 61.300 -0.197 0.000 1.403 364 I CB 1.016 38.544 38.000 -0.786 0.000 1.409 364 I HN 0.466 nan 8.210 nan 0.000 0.557 365 V N 6.467 126.324 119.914 -0.095 0.000 2.638 365 V HA 0.422 4.554 4.120 0.020 0.000 0.306 365 V C -0.792 175.327 176.094 0.042 0.000 1.052 365 V CA -0.904 61.355 62.300 -0.067 0.000 0.885 365 V CB 1.824 33.670 31.823 0.038 0.000 0.999 365 V HN 0.619 nan 8.190 nan 0.000 0.424 366 D N 5.469 125.892 120.400 0.039 0.000 2.217 366 D HA 0.402 5.054 4.640 0.020 0.000 0.248 366 D C -1.628 174.842 176.300 0.283 0.000 1.008 366 D CA -1.486 52.596 54.000 0.137 0.000 0.914 366 D CB 2.653 43.523 40.800 0.116 0.000 1.182 366 D HN 0.254 nan 8.370 nan 0.000 0.451 367 P HA -0.016 nan 4.420 nan 0.000 0.218 367 P C 0.187 177.681 177.300 0.323 0.000 1.152 367 P CA 0.536 63.892 63.100 0.427 0.000 0.826 367 P CB 0.327 32.366 31.700 0.565 0.000 0.790 368 A N 0.864 123.756 122.820 0.120 0.000 2.425 368 A HA 0.409 4.741 4.320 0.020 0.000 0.249 368 A C 0.184 177.703 177.584 -0.110 0.000 1.084 368 A CA 0.092 52.001 52.037 -0.214 0.000 0.781 368 A CB -0.295 18.404 19.000 -0.502 0.000 1.019 368 A HN -0.013 nan 8.150 nan 0.000 0.490 369 I N 1.766 122.226 120.570 -0.183 0.000 2.436 369 I HA 0.224 4.405 4.170 0.020 0.000 0.289 369 I C 0.800 176.822 176.117 -0.159 0.000 1.010 369 I CA -0.204 61.123 61.300 0.044 0.000 1.098 369 I CB 1.373 39.556 38.000 0.304 0.000 1.266 369 I HN 0.675 nan 8.210 nan 0.000 0.434 370 S N 4.828 120.468 115.700 -0.101 0.000 2.546 370 S HA -0.017 4.465 4.470 0.020 0.000 0.290 370 S C 1.101 175.452 174.600 -0.415 0.000 1.290 370 S CA -0.141 57.875 58.200 -0.307 0.000 1.069 370 S CB 0.038 62.949 63.200 -0.482 0.000 0.846 370 S HN 0.692 nan 8.310 nan 0.000 0.495 371 N N 3.777 122.093 118.700 -0.640 0.000 2.268 371 N HA 0.004 4.756 4.740 0.020 0.000 0.204 371 N C -0.371 174.625 175.510 -0.856 0.000 1.124 371 N CA -0.222 52.079 53.050 -1.249 0.000 0.838 371 N CB -0.335 37.590 38.487 -0.936 0.000 0.994 371 N HN 0.408 nan 8.380 nan 0.000 0.489 372 N N 0.735 119.150 118.700 -0.474 0.000 2.482 372 N HA 0.122 4.874 4.740 0.020 0.000 0.242 372 N C -1.496 173.945 175.510 -0.116 0.000 1.100 372 N CA 0.161 53.056 53.050 -0.259 0.000 0.946 372 N CB 0.384 38.743 38.487 -0.214 0.000 1.227 372 N HN 0.192 nan 8.380 nan 0.000 0.508 373 S N 1.415 117.098 115.700 -0.028 0.000 2.536 373 S HA 0.695 5.177 4.470 0.020 0.000 0.271 373 S C -1.194 173.473 174.600 0.111 0.000 1.134 373 S CA -0.540 57.738 58.200 0.131 0.000 0.897 373 S CB 0.700 64.102 63.200 0.337 0.000 1.094 373 S HN 0.574 nan 8.310 nan 0.000 0.473 374 S N 2.235 117.994 115.700 0.099 0.000 2.651 374 S HA 0.556 5.038 4.470 0.020 0.000 0.279 374 S C 0.747 175.391 174.600 0.073 0.000 1.148 374 S CA -0.524 57.721 58.200 0.075 0.000 0.837 374 S CB 1.035 64.262 63.200 0.044 0.000 1.138 374 S HN 0.524 nan 8.310 nan 0.000 0.478 375 S N 1.155 116.890 115.700 0.057 0.000 2.383 375 S HA -0.120 4.362 4.470 0.020 0.000 0.229 375 S C 1.981 176.608 174.600 0.044 0.000 1.030 375 S CA 1.655 59.884 58.200 0.049 0.000 1.002 375 S CB -0.666 62.557 63.200 0.037 0.000 0.829 375 S HN 0.733 nan 8.310 nan 0.000 0.467 376 S N 0.712 116.435 115.700 0.038 0.000 2.351 376 S HA -0.048 4.434 4.470 0.020 0.000 0.220 376 S C 0.781 175.405 174.600 0.039 0.000 1.035 376 S CA 1.283 59.502 58.200 0.032 0.000 1.031 376 S CB -0.047 63.168 63.200 0.025 0.000 0.928 376 S HN 0.282 nan 8.310 nan 0.000 0.433 377 K N 2.028 122.456 120.400 0.047 0.000 2.592 377 K HA 0.428 4.760 4.320 0.020 0.000 0.212 377 K C -2.890 173.765 176.600 0.092 0.000 1.013 377 K CA -2.538 53.784 56.287 0.058 0.000 1.034 377 K CB 1.717 34.242 32.500 0.041 0.000 1.292 377 K HN 0.215 nan 8.250 nan 0.000 0.521 378 P HA -0.031 nan 4.420 nan 0.000 0.271 378 P C -1.169 176.262 177.300 0.218 0.000 1.218 378 P CA -0.224 62.961 63.100 0.142 0.000 0.780 378 P CB 0.472 32.235 31.700 0.104 0.000 0.901 379 Y N 2.015 122.386 120.300 0.118 0.000 2.587 379 Y HA 0.440 5.001 4.550 0.018 0.000 0.328 379 Y C 1.475 177.492 175.900 0.195 0.000 0.980 379 Y CA -0.380 57.800 58.100 0.134 0.000 1.272 379 Y CB 0.468 38.995 38.460 0.112 0.000 1.094 379 Y HN 0.555 nan 8.280 nan 0.000 0.503 380 G N 5.866 114.572 108.800 -0.158 0.000 2.574 380 G HA2 -0.269 3.703 3.960 0.020 0.000 0.220 380 G HA3 -0.269 3.703 3.960 0.020 0.000 0.220 380 G C -0.810 173.996 174.900 -0.158 0.000 1.173 380 G CA 1.049 46.066 45.100 -0.139 0.000 0.772 380 G HN 0.572 nan 8.290 nan 0.000 0.585 381 P HA -0.133 nan 4.420 nan 0.000 0.216 381 P C 1.411 178.963 177.300 0.420 0.000 1.150 381 P CA 1.056 64.182 63.100 0.044 0.000 0.837 381 P CB -0.103 31.613 31.700 0.025 0.000 0.786 382 Y N 0.936 121.315 120.300 0.132 0.000 2.184 382 Y HA -0.168 4.394 4.550 0.019 0.000 0.290 382 Y C 1.779 177.872 175.900 0.322 0.000 1.129 382 Y CA 1.659 59.983 58.100 0.372 0.000 1.144 382 Y CB -0.897 37.754 38.460 0.319 0.000 0.995 382 Y HN -0.139 nan 8.280 nan 0.000 0.513 383 D N 0.077 120.527 120.400 0.083 0.000 2.104 383 D HA -0.186 4.466 4.640 0.020 0.000 0.194 383 D C 2.269 178.531 176.300 -0.064 0.000 0.994 383 D CA 1.687 55.665 54.000 -0.037 0.000 0.830 383 D CB -0.373 40.457 40.800 0.049 0.000 0.959 383 D HN 0.376 nan 8.370 nan 0.000 0.452 384 R N 0.205 120.722 120.500 0.029 0.000 2.081 384 R HA -0.041 4.311 4.340 0.020 0.000 0.235 384 R C 2.442 178.690 176.300 -0.085 0.000 1.131 384 R CA 1.283 57.413 56.100 0.050 0.000 0.960 384 R CB -0.560 29.836 30.300 0.160 0.000 0.856 384 R HN 0.201 nan 8.270 nan 0.000 0.436 385 G N -0.023 108.633 108.800 -0.241 0.000 2.408 385 G HA2 -0.225 3.747 3.960 0.020 0.000 0.217 385 G HA3 -0.225 3.747 3.960 0.020 0.000 0.217 385 G C 1.417 175.647 174.900 -1.118 0.000 1.150 385 G CA 0.720 45.064 45.100 -1.260 0.000 0.776 385 G HN 0.227 nan 8.290 nan 0.000 0.542 386 S N 0.916 116.326 115.700 -0.484 0.000 2.383 386 S HA -0.078 4.404 4.470 0.020 0.000 0.227 386 S C 1.972 176.396 174.600 -0.292 0.000 1.026 386 S CA 1.225 59.252 58.200 -0.289 0.000 0.981 386 S CB -0.242 62.802 63.200 -0.261 0.000 0.818 386 S HN 0.312 nan 8.310 nan 0.000 0.472 387 D N 1.553 121.805 120.400 -0.247 0.000 2.123 387 D HA -0.060 4.592 4.640 0.020 0.000 0.196 387 D C 1.621 177.798 176.300 -0.206 0.000 0.992 387 D CA 1.183 55.080 54.000 -0.173 0.000 0.833 387 D CB -0.208 40.523 40.800 -0.115 0.000 0.954 387 D HN 0.397 nan 8.370 nan 0.000 0.455 388 M N -0.605 118.812 119.600 -0.304 0.000 2.556 388 M HA 0.070 4.562 4.480 0.020 0.000 0.245 388 M C -0.091 175.981 176.300 -0.380 0.000 1.128 388 M CA 0.230 55.349 55.300 -0.302 0.000 1.069 388 M CB 0.279 32.703 32.600 -0.292 0.000 1.469 388 M HN -0.196 nan 8.290 nan 0.000 0.494 389 K N 1.107 121.216 120.400 -0.485 0.000 3.162 389 K HA -0.168 4.164 4.320 0.020 0.000 0.268 389 K C -0.119 176.175 176.600 -0.509 0.000 1.062 389 K CA 0.225 56.254 56.287 -0.429 0.000 0.769 389 K CB -1.890 30.476 32.500 -0.223 0.000 1.274 389 K HN 0.413 nan 8.250 nan 0.000 0.478 390 I N -3.677 116.367 120.570 -0.878 0.000 3.927 390 I HA 0.226 4.408 4.170 0.020 0.000 0.332 390 I C 0.226 175.920 176.117 -0.705 0.000 1.485 390 I CA -0.663 60.181 61.300 -0.760 0.000 1.131 390 I CB -0.223 37.307 38.000 -0.783 0.000 1.092 390 I HN 0.166 nan 8.210 nan 0.000 0.410 391 W N 0.305 121.430 121.300 -0.292 0.000 2.215 391 W HA 0.589 5.260 4.660 0.019 0.000 0.342 391 W C 0.267 176.729 176.519 -0.096 0.000 1.237 391 W CA -1.416 55.811 57.345 -0.197 0.000 1.283 391 W CB 0.574 29.956 29.460 -0.130 0.000 1.131 391 W HN -0.284 nan 8.180 nan 0.000 0.606 392 V N 3.464 123.535 119.914 0.263 0.000 2.585 392 V HA -0.061 4.071 4.120 0.020 0.000 0.296 392 V C 0.224 176.418 176.094 0.166 0.000 1.035 392 V CA -0.170 62.236 62.300 0.178 0.000 1.084 392 V CB -0.379 31.557 31.823 0.188 0.000 0.953 392 V HN 0.454 nan 8.190 nan 0.000 0.483 393 N N 2.417 121.185 118.700 0.112 0.000 2.466 393 N HA 0.407 5.159 4.740 0.020 0.000 0.294 393 N C 0.074 175.625 175.510 0.068 0.000 1.129 393 N CA -0.408 52.697 53.050 0.093 0.000 0.931 393 N CB 1.526 40.056 38.487 0.072 0.000 1.193 393 N HN 0.662 nan 8.380 nan 0.000 0.500 394 S N -0.198 115.534 115.700 0.054 0.000 2.612 394 S HA -0.025 4.457 4.470 0.020 0.000 0.253 394 S C 1.577 176.195 174.600 0.031 0.000 1.346 394 S CA -0.282 57.938 58.200 0.033 0.000 0.976 394 S CB 0.272 63.486 63.200 0.022 0.000 0.949 394 S HN 0.701 nan 8.310 nan 0.000 0.584 395 S N 0.913 116.625 115.700 0.019 0.000 2.474 395 S HA -0.155 4.327 4.470 0.020 0.000 0.235 395 S C 1.245 175.857 174.600 0.019 0.000 0.997 395 S CA 1.316 59.527 58.200 0.019 0.000 0.949 395 S CB -0.650 62.555 63.200 0.009 0.000 0.766 395 S HN 0.804 nan 8.310 nan 0.000 0.517 396 D N 1.143 121.554 120.400 0.018 0.000 2.351 396 D HA 0.080 4.731 4.640 0.020 0.000 0.216 396 D C 1.578 177.893 176.300 0.024 0.000 0.968 396 D CA 0.917 54.928 54.000 0.018 0.000 0.899 396 D CB -1.238 39.571 40.800 0.015 0.000 0.907 396 D HN 0.687 nan 8.370 nan 0.000 0.514 397 G N -0.525 108.293 108.800 0.031 0.000 2.184 397 G HA2 -0.309 3.663 3.960 0.020 0.000 0.264 397 G HA3 -0.309 3.663 3.960 0.020 0.000 0.264 397 G C 0.932 175.853 174.900 0.035 0.000 0.975 397 G CA 1.320 46.441 45.100 0.036 0.000 0.642 397 G HN 1.092 nan 8.290 nan 0.000 0.536 398 V N -4.602 115.332 119.914 0.034 0.000 3.359 398 V HA 0.462 4.594 4.120 0.020 0.000 0.270 398 V C 0.704 176.825 176.094 0.044 0.000 1.583 398 V CA 1.018 63.338 62.300 0.033 0.000 1.019 398 V CB 0.618 32.456 31.823 0.024 0.000 0.831 398 V HN 0.301 nan 8.190 nan 0.000 0.426 399 T N 4.199 118.781 114.554 0.046 0.000 2.749 399 T HA 0.523 4.885 4.350 0.020 0.000 0.287 399 T C -2.775 171.968 174.700 0.072 0.000 0.970 399 T CA -1.100 61.032 62.100 0.054 0.000 0.980 399 T CB 1.422 70.312 68.868 0.036 0.000 0.924 399 T HN 0.213 nan 8.240 nan 0.000 0.456 400 P HA 0.043 nan 4.420 nan 0.000 0.262 400 P C -0.050 177.288 177.300 0.063 0.000 1.182 400 P CA -0.317 62.852 63.100 0.116 0.000 0.761 400 P CB 0.373 32.138 31.700 0.110 0.000 0.795 401 L N 4.914 126.191 121.223 0.090 0.000 2.410 401 L HA 0.250 4.602 4.340 0.020 0.000 0.273 401 L C -0.313 176.615 176.870 0.097 0.000 1.152 401 L CA 0.044 54.935 54.840 0.085 0.000 0.855 401 L CB 0.020 42.133 42.059 0.091 0.000 1.129 401 L HN 0.257 nan 8.230 nan 0.000 0.463 402 I N 5.398 126.001 120.570 0.055 0.000 2.354 402 I HA 0.490 4.672 4.170 0.020 0.000 0.292 402 I C 0.632 176.807 176.117 0.097 0.000 0.989 402 I CA -0.162 61.150 61.300 0.020 0.000 1.188 402 I CB 1.491 39.460 38.000 -0.051 0.000 1.342 402 I HN 0.759 nan 8.210 nan 0.000 0.457 403 G N 4.556 113.466 108.800 0.182 0.000 3.257 403 G HA2 0.567 4.539 3.960 0.020 0.000 0.205 403 G HA3 0.567 4.539 3.960 0.020 0.000 0.205 403 G C -1.444 173.468 174.900 0.021 0.000 1.234 403 G CA -0.257 44.965 45.100 0.204 0.000 0.918 403 G HN 0.526 nan 8.290 nan 0.000 0.602 404 E N -0.955 119.250 120.200 0.008 0.000 2.278 404 E HA 0.542 4.904 4.350 0.020 0.000 0.272 404 E C -1.076 175.315 176.600 -0.348 0.000 0.890 404 E CA -0.519 55.814 56.400 -0.112 0.000 0.770 404 E CB 2.295 32.000 29.700 0.009 0.000 1.212 404 E HN 0.260 nan 8.360 nan 0.000 0.415 405 V N 2.830 122.436 119.914 -0.512 0.000 4.504 405 V HA 0.297 4.429 4.120 0.020 0.000 0.298 405 V C 0.705 176.451 176.094 -0.579 0.000 1.446 405 V CA -0.813 60.809 62.300 -1.129 0.000 0.890 405 V CB 0.002 31.271 31.823 -0.923 0.000 1.281 405 V HN 0.889 nan 8.190 nan 0.000 0.461 406 W N 1.122 122.267 121.300 -0.258 0.000 2.335 406 W HA -0.046 4.629 4.660 0.026 0.000 0.311 406 W C -0.345 176.148 176.519 -0.043 0.000 1.213 406 W CA 1.699 59.048 57.345 0.007 0.000 1.274 406 W CB -1.293 28.146 29.460 -0.036 0.000 1.148 406 W HN 0.491 nan 8.180 nan 0.000 0.498 407 P HA 0.185 nan 4.420 nan 0.000 0.245 407 P C 0.720 177.983 177.300 -0.061 0.000 1.212 407 P CA 1.845 64.925 63.100 -0.033 0.000 0.774 407 P CB 0.379 31.987 31.700 -0.153 0.000 0.999 408 G N -0.188 108.587 108.800 -0.042 0.000 2.384 408 G HA2 -0.157 3.815 3.960 0.020 0.000 0.200 408 G HA3 -0.157 3.815 3.960 0.020 0.000 0.200 408 G C -1.051 173.768 174.900 -0.136 0.000 1.205 408 G CA -0.804 44.257 45.100 -0.064 0.000 1.116 408 G HN 0.237 nan 8.290 nan 0.000 0.547 409 Q N 1.108 120.819 119.800 -0.149 0.000 2.349 409 Q HA 0.445 4.797 4.340 0.020 0.000 0.287 409 Q C 0.425 176.247 176.000 -0.296 0.000 1.044 409 Q CA 1.356 57.044 55.803 -0.191 0.000 0.918 409 Q CB 0.460 29.094 28.738 -0.174 0.000 1.242 409 Q HN 0.955 nan 8.270 nan 0.000 0.405 410 T N -1.994 112.340 114.554 -0.367 0.000 2.868 410 T HA 0.630 4.992 4.350 0.020 0.000 0.306 410 T C -0.298 174.005 174.700 -0.661 0.000 1.224 410 T CA -0.984 60.787 62.100 -0.548 0.000 1.012 410 T CB 1.048 69.497 68.868 -0.699 0.000 1.221 410 T HN 0.400 nan 8.240 nan 0.000 0.499 411 V N -1.030 118.423 119.914 -0.767 0.000 3.096 411 V HA 0.915 5.047 4.120 0.020 0.000 0.319 411 V C -1.120 174.455 176.094 -0.865 0.000 1.082 411 V CA -1.263 60.575 62.300 -0.770 0.000 1.022 411 V CB 0.929 32.105 31.823 -1.079 0.000 1.103 411 V HN 0.848 nan 8.190 nan 0.000 0.455 412 F N 0.613 120.475 119.950 -0.146 0.000 2.518 412 F HA 0.683 5.222 4.527 0.020 0.000 0.323 412 F C -2.510 173.420 175.800 0.217 0.000 1.129 412 F CA -2.444 55.587 58.000 0.052 0.000 0.920 412 F CB 2.049 41.052 39.000 0.006 0.000 1.160 412 F HN 0.315 nan 8.300 nan 0.000 0.440 413 P HA 0.036 nan 4.420 nan 0.000 0.271 413 P C -0.795 176.345 177.300 -0.266 0.000 1.218 413 P CA -0.110 62.911 63.100 -0.131 0.000 0.780 413 P CB 0.691 32.000 31.700 -0.652 0.000 0.901 414 D N 1.678 121.879 120.400 -0.332 0.000 2.485 414 D HA 0.099 4.751 4.640 0.020 0.000 0.221 414 D C -0.070 175.979 176.300 -0.419 0.000 1.112 414 D CA -0.403 53.443 54.000 -0.256 0.000 0.911 414 D CB -0.324 40.395 40.800 -0.136 0.000 1.019 414 D HN 0.240 nan 8.370 nan 0.000 0.516 415 Y N 1.153 121.202 120.300 -0.419 0.000 2.616 415 Y HA -0.061 4.501 4.550 0.019 0.000 0.296 415 Y C 2.582 178.147 175.900 -0.559 0.000 1.154 415 Y CA 1.070 58.882 58.100 -0.480 0.000 1.325 415 Y CB -0.158 37.936 38.460 -0.610 0.000 1.007 415 Y HN 0.442 nan 8.280 nan 0.000 0.542 416 T N -2.677 111.532 114.554 -0.576 0.000 3.055 416 T HA -0.080 4.282 4.350 0.020 0.000 0.265 416 T C 0.806 175.218 174.700 -0.480 0.000 1.111 416 T CA 0.194 61.689 62.100 -1.008 0.000 1.118 416 T CB -0.347 67.563 68.868 -1.597 0.000 0.909 416 T HN 0.063 nan 8.240 nan 0.000 0.501 417 N N 2.660 121.169 118.700 -0.319 0.000 2.411 417 N HA 0.226 4.978 4.740 0.020 0.000 0.259 417 N C -2.018 173.347 175.510 -0.242 0.000 1.103 417 N CA -2.332 50.519 53.050 -0.332 0.000 0.954 417 N CB 1.665 39.975 38.487 -0.296 0.000 1.085 417 N HN -0.012 nan 8.380 nan 0.000 0.485 418 P HA -0.105 nan 4.420 nan 0.000 0.216 418 P C 0.702 177.958 177.300 -0.073 0.000 1.150 418 P CA 1.096 64.140 63.100 -0.092 0.000 0.843 418 P CB 0.362 32.022 31.700 -0.067 0.000 0.787 419 N N -1.414 117.215 118.700 -0.119 0.000 2.309 419 N HA -0.127 4.625 4.740 0.020 0.000 0.182 419 N C 1.775 177.261 175.510 -0.039 0.000 1.018 419 N CA 0.686 53.685 53.050 -0.084 0.000 0.876 419 N CB -1.268 37.139 38.487 -0.133 0.000 0.972 419 N HN 0.184 nan 8.380 nan 0.000 0.434 420 C N 0.718 119.970 119.300 -0.081 0.000 2.440 420 C HA 0.101 4.573 4.460 0.020 0.000 0.278 420 C C 2.691 177.821 174.990 0.233 0.000 1.295 420 C CA 1.046 60.058 59.018 -0.009 0.000 1.738 420 C CB -1.168 26.449 27.740 -0.206 0.000 1.987 420 C HN 0.467 nan 8.230 nan 0.000 0.492 421 A N -0.168 122.745 122.820 0.156 0.000 1.972 421 A HA -0.042 4.290 4.320 0.020 0.000 0.219 421 A C 2.288 180.008 177.584 0.226 0.000 1.169 421 A CA 2.078 54.259 52.037 0.240 0.000 0.635 421 A CB -0.683 18.395 19.000 0.130 0.000 0.810 421 A HN 0.464 nan 8.150 nan 0.000 0.446 422 V N -1.830 118.172 119.914 0.145 0.000 2.343 422 V HA -0.257 3.875 4.120 0.020 0.000 0.247 422 V C 2.194 178.373 176.094 0.141 0.000 1.051 422 V CA 1.902 64.265 62.300 0.106 0.000 1.036 422 V CB -0.968 30.889 31.823 0.056 0.000 0.654 422 V HN 0.922 nan 8.190 nan 0.000 0.451 423 W N -0.309 120.994 121.300 0.005 0.000 2.355 423 W HA -0.209 4.464 4.660 0.022 0.000 0.309 423 W C 2.495 179.079 176.519 0.108 0.000 1.206 423 W CA 1.618 58.955 57.345 -0.014 0.000 1.284 423 W CB -0.469 28.924 29.460 -0.111 0.000 1.145 423 W HN 0.367 nan 8.180 nan 0.000 0.502 424 W N 1.178 122.345 121.300 -0.221 0.000 2.355 424 W HA -0.240 4.433 4.660 0.022 0.000 0.309 424 W C 2.009 178.440 176.519 -0.147 0.000 1.206 424 W CA 2.159 59.274 57.345 -0.384 0.000 1.284 424 W CB -0.612 28.952 29.460 0.174 0.000 1.145 424 W HN -0.217 nan 8.180 nan 0.000 0.502 425 T N 0.793 115.403 114.554 0.092 0.000 2.684 425 T HA -0.292 4.070 4.350 0.020 0.000 0.267 425 T C 1.617 176.249 174.700 -0.114 0.000 1.036 425 T CA 2.207 64.308 62.100 0.001 0.000 1.148 425 T CB -0.419 68.462 68.868 0.021 0.000 0.863 425 T HN -0.050 nan 8.240 nan 0.000 0.436 426 K N 1.234 121.531 120.400 -0.172 0.000 2.097 426 K HA -0.085 4.247 4.320 0.020 0.000 0.206 426 K C 2.188 178.565 176.600 -0.372 0.000 1.049 426 K CA 1.198 57.357 56.287 -0.213 0.000 0.933 426 K CB -0.209 32.198 32.500 -0.155 0.000 0.717 426 K HN 0.173 nan 8.250 nan 0.000 0.442 427 E N -0.282 119.499 120.200 -0.697 0.000 2.077 427 E HA -0.150 4.212 4.350 0.020 0.000 0.193 427 E C 1.987 177.964 176.600 -1.039 0.000 0.989 427 E CA 1.112 56.814 56.400 -1.164 0.000 0.800 427 E CB -0.365 28.094 29.700 -2.067 0.000 0.746 427 E HN 0.331 nan 8.360 nan 0.000 0.452 428 F N 1.692 121.223 119.950 -0.699 0.000 2.186 428 F HA -0.102 4.436 4.527 0.018 0.000 0.299 428 F C 2.381 178.162 175.800 -0.031 0.000 1.090 428 F CA 1.082 58.964 58.000 -0.196 0.000 1.307 428 F CB -0.188 38.698 39.000 -0.190 0.000 1.019 428 F HN 0.049 nan 8.300 nan 0.000 0.489 429 E N 0.230 120.437 120.200 0.013 0.000 2.051 429 E HA -0.207 4.155 4.350 0.020 0.000 0.192 429 E C 2.324 178.936 176.600 0.021 0.000 0.991 429 E CA 1.275 57.659 56.400 -0.026 0.000 0.799 429 E CB -0.387 29.265 29.700 -0.080 0.000 0.748 429 E HN 0.372 nan 8.360 nan 0.000 0.449 430 L N 0.000 121.207 121.223 -0.028 0.000 2.012 430 L HA -0.197 4.155 4.340 0.020 0.000 0.210 430 L C 2.460 179.423 176.870 0.155 0.000 1.073 430 L CA 0.977 55.825 54.840 0.014 0.000 0.748 430 L CB -0.366 41.656 42.059 -0.061 0.000 0.891 430 L HN 0.142 nan 8.230 nan 0.000 0.431 431 F N -0.389 119.584 119.950 0.038 0.000 2.234 431 F HA -0.206 4.334 4.527 0.021 0.000 0.299 431 F C 2.687 178.670 175.800 0.305 0.000 1.087 431 F CA 1.427 59.559 58.000 0.219 0.000 1.340 431 F CB -0.500 38.707 39.000 0.345 0.000 1.031 431 F HN 0.148 nan 8.300 nan 0.000 0.500 432 H N -0.023 119.154 119.070 0.179 0.000 2.457 432 H HA -0.097 4.474 4.556 0.024 0.000 0.294 432 H C 1.493 176.696 175.328 -0.208 0.000 1.064 432 H CA 1.215 57.151 56.048 -0.187 0.000 1.330 432 H CB -0.021 29.488 29.762 -0.422 0.000 1.395 432 H HN 0.211 nan 8.280 nan 0.000 0.541 433 N N 0.712 119.378 118.700 -0.058 0.000 2.364 433 N HA -0.112 4.640 4.740 0.020 0.000 0.183 433 N C 1.747 177.184 175.510 -0.121 0.000 1.022 433 N CA 0.903 53.903 53.050 -0.085 0.000 0.883 433 N CB -0.042 38.436 38.487 -0.016 0.000 0.965 433 N HN 0.638 nan 8.380 nan 0.000 0.438 434 Q N -0.533 119.187 119.800 -0.133 0.000 2.287 434 Q HA 0.194 4.546 4.340 0.020 0.000 0.201 434 Q C -0.151 175.686 176.000 -0.270 0.000 0.946 434 Q CA 0.534 56.275 55.803 -0.102 0.000 0.868 434 Q CB 0.881 29.655 28.738 0.061 0.000 0.967 434 Q HN -0.018 nan 8.270 nan 0.000 0.516 435 V N 2.012 121.621 119.914 -0.508 0.000 2.407 435 V HA 0.177 4.309 4.120 0.020 0.000 0.291 435 V C -0.688 175.048 176.094 -0.595 0.000 1.018 435 V CA -0.470 61.464 62.300 -0.610 0.000 0.842 435 V CB 1.609 32.950 31.823 -0.803 0.000 0.996 435 V HN 0.181 nan 8.190 nan 0.000 0.426 436 E N 4.969 124.800 120.200 -0.614 0.000 2.122 436 E HA 0.226 4.588 4.350 0.020 0.000 0.288 436 E C -0.312 176.072 176.600 -0.361 0.000 1.260 436 E CA -0.312 55.608 56.400 -0.800 0.000 1.344 436 E CB 0.189 29.591 29.700 -0.496 0.000 1.337 436 E HN 0.672 nan 8.360 nan 0.000 0.484 437 F N -0.870 119.035 119.950 -0.075 0.000 2.444 437 F HA 0.190 4.726 4.527 0.015 0.000 0.331 437 F C 0.839 176.872 175.800 0.388 0.000 1.167 437 F CA -0.423 57.646 58.000 0.115 0.000 1.262 437 F CB 0.669 39.756 39.000 0.146 0.000 1.196 437 F HN -0.031 nan 8.300 nan 0.000 0.583 438 D N 0.186 120.813 120.400 0.378 0.000 2.423 438 D HA 0.269 4.921 4.640 0.020 0.000 0.208 438 D C 0.662 177.012 176.300 0.085 0.000 1.068 438 D CA 0.621 54.664 54.000 0.073 0.000 0.860 438 D CB 1.142 41.775 40.800 -0.279 0.000 0.992 438 D HN 0.779 nan 8.370 nan 0.000 0.504 439 G N 0.316 109.389 108.800 0.456 0.000 2.608 439 G HA2 0.589 4.561 3.960 0.020 0.000 0.291 439 G HA3 0.589 4.561 3.960 0.020 0.000 0.291 439 G C -1.753 173.433 174.900 0.475 0.000 1.425 439 G CA -0.652 44.738 45.100 0.483 0.000 0.787 439 G HN -0.019 nan 8.290 nan 0.000 0.484 440 I N -0.160 120.615 120.570 0.342 0.000 2.582 440 I HA 0.432 4.614 4.170 0.020 0.000 0.292 440 I C -1.429 174.840 176.117 0.253 0.000 1.066 440 I CA -0.634 60.814 61.300 0.245 0.000 1.053 440 I CB 2.720 40.805 38.000 0.141 0.000 1.241 440 I HN 0.576 nan 8.210 nan 0.000 0.421 441 W N 9.151 130.487 121.300 0.060 0.000 2.296 441 W HA 0.624 5.293 4.660 0.015 0.000 0.316 441 W C -1.118 175.456 176.519 0.091 0.000 1.022 441 W CA -1.866 55.488 57.345 0.016 0.000 1.324 441 W CB 0.715 30.170 29.460 -0.008 0.000 1.227 441 W HN 0.329 nan 8.180 nan 0.000 0.409 442 I N 3.924 124.702 120.570 0.347 0.000 2.315 442 I HA 0.527 4.709 4.170 0.020 0.000 0.291 442 I C -0.475 175.819 176.117 0.295 0.000 1.006 442 I CA -0.313 61.136 61.300 0.248 0.000 1.265 442 I CB 1.348 39.494 38.000 0.243 0.000 1.387 442 I HN 0.275 nan 8.210 nan 0.000 0.475 443 D N 5.541 126.039 120.400 0.163 0.000 2.533 443 D HA 0.505 5.157 4.640 0.020 0.000 0.247 443 D C 0.374 176.792 176.300 0.198 0.000 1.056 443 D CA -0.349 53.800 54.000 0.248 0.000 1.054 443 D CB 1.398 42.226 40.800 0.046 0.000 1.400 443 D HN 0.631 nan 8.370 nan 0.000 0.533 444 M N 0.669 120.390 119.600 0.202 0.000 2.682 444 M HA -0.217 4.275 4.480 0.020 0.000 0.196 444 M C -0.151 176.213 176.300 0.107 0.000 0.542 444 M CA 0.512 55.899 55.300 0.145 0.000 0.593 444 M CB -2.804 29.866 32.600 0.117 0.000 2.183 444 M HN 0.595 nan 8.290 nan 0.000 0.663 445 N N -0.542 118.240 118.700 0.137 0.000 2.376 445 N HA 0.243 4.995 4.740 0.020 0.000 0.249 445 N C 0.693 176.261 175.510 0.096 0.000 1.140 445 N CA -0.013 53.136 53.050 0.166 0.000 0.870 445 N CB 0.195 38.829 38.487 0.245 0.000 1.124 445 N HN 0.256 nan 8.380 nan 0.000 0.505 446 E N -0.129 120.067 120.200 -0.006 0.000 2.110 446 E HA -0.029 4.333 4.350 0.020 0.000 0.193 446 E C 0.353 176.695 176.600 -0.430 0.000 0.988 446 E CA 0.532 56.859 56.400 -0.122 0.000 0.804 446 E CB 0.115 29.800 29.700 -0.025 0.000 0.745 446 E HN 0.263 nan 8.360 nan 0.000 0.458 447 V N 0.243 119.840 119.914 -0.528 0.000 2.607 447 V HA 0.214 4.346 4.120 0.020 0.000 0.289 447 V C -0.075 175.882 176.094 -0.229 0.000 1.053 447 V CA -0.415 61.614 62.300 -0.452 0.000 0.996 447 V CB 1.760 33.007 31.823 -0.960 0.000 0.995 447 V HN 0.105 nan 8.190 nan 0.000 0.476 448 S N 5.371 121.007 115.700 -0.108 0.000 2.489 448 S HA 0.385 4.867 4.470 0.020 0.000 0.277 448 S C -0.349 174.186 174.600 -0.109 0.000 1.230 448 S CA -0.451 57.724 58.200 -0.043 0.000 1.053 448 S CB 0.073 63.290 63.200 0.028 0.000 0.955 448 S HN 0.856 nan 8.310 nan 0.000 0.488 449 N N 3.530 122.198 118.700 -0.054 0.000 2.258 449 N HA 0.408 5.160 4.740 0.020 0.000 0.299 449 N C -0.271 175.317 175.510 0.130 0.000 1.047 449 N CA -0.802 52.224 53.050 -0.040 0.000 0.814 449 N CB 0.687 39.137 38.487 -0.062 0.000 1.413 449 N HN 0.452 nan 8.380 nan 0.000 0.478 450 F N 0.694 120.613 119.950 -0.053 0.000 2.710 450 F HA 0.086 4.625 4.527 0.019 0.000 0.298 450 F C 1.040 176.826 175.800 -0.024 0.000 1.137 450 F CA -0.021 57.937 58.000 -0.070 0.000 1.444 450 F CB -0.576 38.351 39.000 -0.121 0.000 1.111 450 F HN 0.256 nan 8.300 nan 0.000 0.580 451 V N -2.643 117.371 119.914 0.167 0.000 2.850 451 V HA 0.501 4.633 4.120 0.020 0.000 0.315 451 V C -0.357 175.794 176.094 0.095 0.000 1.064 451 V CA -1.129 61.232 62.300 0.102 0.000 0.979 451 V CB 1.816 33.678 31.823 0.065 0.000 1.039 451 V HN -0.213 nan 8.190 nan 0.000 0.452 452 D N 2.041 122.498 120.400 0.095 0.000 2.365 452 D HA 0.542 5.194 4.640 0.020 0.000 0.237 452 D C 1.020 177.384 176.300 0.106 0.000 1.190 452 D CA 1.453 55.553 54.000 0.166 0.000 0.867 452 D CB 0.775 41.718 40.800 0.238 0.000 1.050 452 D HN 1.257 nan 8.370 nan 0.000 0.491 453 G N 2.702 111.564 108.800 0.103 0.000 4.890 453 G HA2 -0.252 3.720 3.960 0.020 0.000 0.221 453 G HA3 -0.252 3.720 3.960 0.020 0.000 0.221 453 G C 0.311 175.187 174.900 -0.040 0.000 1.472 453 G CA 0.429 45.529 45.100 0.001 0.000 0.962 453 G HN 1.129 nan 8.290 nan 0.000 0.671 454 S N -1.666 114.010 115.700 -0.039 0.000 2.636 454 S HA 0.599 5.081 4.470 0.020 0.000 0.268 454 S C 1.065 175.658 174.600 -0.011 0.000 1.159 454 S CA 0.543 58.737 58.200 -0.011 0.000 0.815 454 S CB 1.174 64.362 63.200 -0.021 0.000 1.130 454 S HN 1.950 nan 8.310 nan 0.000 0.471 455 V N -0.075 119.839 119.914 -0.001 0.000 3.026 455 V HA 0.094 4.226 4.120 0.020 0.000 0.265 455 V C 1.311 177.391 176.094 -0.023 0.000 1.121 455 V CA 1.825 64.120 62.300 -0.009 0.000 1.142 455 V CB -1.324 30.491 31.823 -0.014 0.000 0.730 455 V HN 1.186 nan 8.190 nan 0.000 0.503 456 S N -1.022 114.658 115.700 -0.034 0.000 2.602 456 S HA 0.617 5.099 4.470 0.020 0.000 0.240 456 S C 1.030 175.585 174.600 -0.074 0.000 0.992 456 S CA 0.292 58.465 58.200 -0.045 0.000 0.971 456 S CB 0.018 63.196 63.200 -0.038 0.000 0.855 456 S HN 1.724 nan 8.310 nan 0.000 0.481 457 G N 0.726 109.470 108.800 -0.092 0.000 2.562 457 G HA2 -0.228 3.744 3.960 0.020 0.000 0.250 457 G HA3 -0.228 3.744 3.960 0.020 0.000 0.250 457 G C -0.359 174.404 174.900 -0.229 0.000 1.269 457 G CA -0.337 44.664 45.100 -0.166 0.000 0.919 457 G HN 0.965 nan 8.290 nan 0.000 0.574 458 C N -0.292 118.796 119.300 -0.353 0.000 2.547 458 C HA 0.730 5.202 4.460 0.020 0.000 0.313 458 C C 0.694 175.531 174.990 -0.255 0.000 1.191 458 C CA -0.066 58.731 59.018 -0.367 0.000 1.474 458 C CB 1.226 28.526 27.740 -0.734 0.000 2.081 458 C HN 0.983 nan 8.230 nan 0.000 0.476 459 S N 1.677 117.289 115.700 -0.147 0.000 2.568 459 S HA 0.147 4.629 4.470 0.020 0.000 0.282 459 S C 0.364 174.924 174.600 -0.067 0.000 1.338 459 S CA 0.063 58.210 58.200 -0.087 0.000 1.045 459 S CB 0.271 63.441 63.200 -0.051 0.000 0.873 459 S HN 0.804 nan 8.310 nan 0.000 0.516 460 T N 4.752 119.288 114.554 -0.031 0.000 2.769 460 T HA 0.364 4.726 4.350 0.020 0.000 0.293 460 T C 0.207 174.917 174.700 0.016 0.000 0.931 460 T CA -0.316 61.791 62.100 0.012 0.000 1.139 460 T CB -0.636 68.248 68.868 0.025 0.000 0.881 460 T HN 0.825 nan 8.240 nan 0.000 0.532 461 N N 1.590 120.309 118.700 0.031 0.000 3.179 461 N HA 0.172 4.924 4.740 0.020 0.000 0.250 461 N C 0.451 175.977 175.510 0.026 0.000 1.507 461 N CA -1.014 52.047 53.050 0.018 0.000 0.883 461 N CB 0.297 38.783 38.487 -0.001 0.000 1.435 461 N HN 0.242 nan 8.380 nan 0.000 0.532 462 N N -0.165 118.533 118.700 -0.003 0.000 2.453 462 N HA -0.077 4.675 4.740 0.020 0.000 0.183 462 N C 0.659 176.126 175.510 -0.072 0.000 1.041 462 N CA 0.846 53.886 53.050 -0.017 0.000 0.900 462 N CB -0.051 38.416 38.487 -0.034 0.000 0.961 462 N HN 0.584 nan 8.380 nan 0.000 0.443 463 L N 0.406 121.571 121.223 -0.096 0.000 2.084 463 L HA 0.040 4.392 4.340 0.020 0.000 0.202 463 L C 1.644 178.614 176.870 0.166 0.000 1.074 463 L CA 0.996 55.763 54.840 -0.121 0.000 0.757 463 L CB -0.547 41.446 42.059 -0.111 0.000 0.918 463 L HN 0.115 nan 8.230 nan 0.000 0.444 464 N N -0.164 118.631 118.700 0.158 0.000 2.396 464 N HA -0.054 4.698 4.740 0.020 0.000 0.180 464 N C 0.114 175.836 175.510 0.353 0.000 1.028 464 N CA 0.526 53.757 53.050 0.300 0.000 0.893 464 N CB 0.217 38.805 38.487 0.168 0.000 0.967 464 N HN 0.275 nan 8.380 nan 0.000 0.440 465 N N 0.791 119.616 118.700 0.208 0.000 2.752 465 N HA 0.191 4.943 4.740 0.020 0.000 0.260 465 N C -2.860 172.706 175.510 0.094 0.000 1.562 465 N CA -0.715 52.430 53.050 0.159 0.000 0.788 465 N CB 1.775 40.363 38.487 0.168 0.000 1.192 465 N HN 0.134 nan 8.380 nan 0.000 0.503 466 P HA 0.271 nan 4.420 nan 0.000 0.276 466 P C -1.737 175.624 177.300 0.101 0.000 1.261 466 P CA -0.760 62.406 63.100 0.111 0.000 0.800 466 P CB 1.045 32.866 31.700 0.202 0.000 1.066 467 P HA -0.051 nan 4.420 nan 0.000 0.216 467 P C 0.184 177.654 177.300 0.284 0.000 1.150 467 P CA 1.381 64.627 63.100 0.244 0.000 0.837 467 P CB 0.033 31.926 31.700 0.322 0.000 0.786 468 F N 0.003 119.945 119.950 -0.014 0.000 2.529 468 F HA 0.487 5.026 4.527 0.020 0.000 0.320 468 F C -0.866 174.852 175.800 -0.136 0.000 1.118 468 F CA -0.616 57.249 58.000 -0.226 0.000 0.915 468 F CB 1.791 40.403 39.000 -0.646 0.000 1.161 468 F HN -0.408 nan 8.300 nan 0.000 0.445 469 T N 7.368 121.315 114.554 -1.012 0.000 2.786 469 T HA 0.411 4.773 4.350 0.020 0.000 0.283 469 T C -2.622 171.388 174.700 -1.150 0.000 0.992 469 T CA -1.278 60.333 62.100 -0.816 0.000 0.954 469 T CB 1.466 69.988 68.868 -0.577 0.000 0.934 469 T HN 0.303 nan 8.240 nan 0.000 0.440 470 P HA 0.111 nan 4.420 nan 0.000 0.270 470 P C 0.221 177.327 177.300 -0.322 0.000 1.227 470 P CA -0.556 62.335 63.100 -0.349 0.000 0.788 470 P CB 0.424 32.069 31.700 -0.092 0.000 0.926 471 R N 1.979 122.373 120.500 -0.178 0.000 4.902 471 R HA 0.164 4.516 4.340 0.020 0.000 0.201 471 R C 0.516 176.749 176.300 -0.111 0.000 2.020 471 R CA -0.172 55.833 56.100 -0.158 0.000 1.674 471 R CB -1.427 28.803 30.300 -0.116 0.000 1.349 471 R HN 0.438 nan 8.270 nan 0.000 0.813 472 I N -1.827 118.663 120.570 -0.134 0.000 2.836 472 I HA 0.091 4.273 4.170 0.020 0.000 0.285 472 I C 0.310 176.393 176.117 -0.057 0.000 1.174 472 I CA -0.976 60.286 61.300 -0.065 0.000 1.405 472 I CB 0.377 38.318 38.000 -0.098 0.000 1.385 472 I HN 0.108 nan 8.210 nan 0.000 0.594 473 L N 6.284 127.508 121.223 0.002 0.000 2.601 473 L HA 0.010 4.362 4.340 0.020 0.000 0.277 473 L C 0.364 177.231 176.870 -0.005 0.000 1.219 473 L CA 1.237 56.080 54.840 0.005 0.000 0.915 473 L CB -0.742 41.337 42.059 0.033 0.000 1.160 473 L HN 0.879 nan 8.230 nan 0.000 0.494 474 D N 2.796 123.194 120.400 -0.004 0.000 2.653 474 D HA -0.220 4.432 4.640 0.020 0.000 0.184 474 D C 1.114 177.440 176.300 0.043 0.000 0.993 474 D CA 1.420 55.437 54.000 0.029 0.000 1.027 474 D CB -1.351 39.474 40.800 0.040 0.000 1.089 474 D HN 1.275 nan 8.370 nan 0.000 0.447 475 G N -0.025 108.720 108.800 -0.092 0.000 2.155 475 G HA2 -0.344 3.628 3.960 0.020 0.000 0.257 475 G HA3 -0.344 3.628 3.960 0.020 0.000 0.257 475 G C -0.063 174.513 174.900 -0.540 0.000 0.983 475 G CA 0.913 45.844 45.100 -0.280 0.000 0.676 475 G HN 0.497 nan 8.290 nan 0.000 0.528 476 Y N -1.270 118.804 120.300 -0.377 0.000 2.442 476 Y HA 0.548 5.109 4.550 0.020 0.000 0.344 476 Y C 1.506 177.009 175.900 -0.661 0.000 0.976 476 Y CA -1.130 56.599 58.100 -0.618 0.000 1.040 476 Y CB 1.422 39.283 38.460 -0.997 0.000 1.228 476 Y HN -0.075 nan 8.280 nan 0.000 0.451 477 L N 1.789 122.716 121.223 -0.494 0.000 2.079 477 L HA -0.238 4.114 4.340 0.020 0.000 0.210 477 L C 1.723 178.514 176.870 -0.131 0.000 1.081 477 L CA 1.765 56.352 54.840 -0.423 0.000 0.752 477 L CB -0.397 41.432 42.059 -0.383 0.000 0.896 477 L HN 0.741 nan 8.230 nan 0.000 0.433 478 F N -2.187 117.807 119.950 0.072 0.000 2.797 478 F HA 0.195 4.734 4.527 0.020 0.000 0.302 478 F C 1.163 177.001 175.800 0.064 0.000 1.130 478 F CA -1.667 56.373 58.000 0.067 0.000 1.387 478 F CB -1.942 37.086 39.000 0.047 0.000 1.107 478 F HN -0.140 nan 8.300 nan 0.000 0.577 479 C N 4.264 123.496 119.300 -0.113 0.000 2.590 479 C HA 0.035 4.507 4.460 0.020 0.000 0.411 479 C C 1.237 176.286 174.990 0.098 0.000 1.420 479 C CA -0.551 58.479 59.018 0.021 0.000 1.643 479 C CB -0.718 26.994 27.740 -0.046 0.000 2.528 479 C HN 0.522 nan 8.230 nan 0.000 0.606 480 K N 1.172 121.643 120.400 0.118 0.000 3.016 480 K HA -0.198 4.134 4.320 0.020 0.000 0.262 480 K C 0.119 176.774 176.600 0.091 0.000 1.043 480 K CA 1.418 57.774 56.287 0.116 0.000 0.761 480 K CB -1.804 30.766 32.500 0.117 0.000 1.230 480 K HN 0.971 nan 8.250 nan 0.000 0.485 481 T N -1.757 112.849 114.554 0.087 0.000 2.612 481 T HA 0.645 5.007 4.350 0.020 0.000 0.296 481 T C -0.817 173.863 174.700 -0.034 0.000 1.148 481 T CA -0.797 61.317 62.100 0.023 0.000 1.077 481 T CB 0.911 69.870 68.868 0.152 0.000 1.591 481 T HN 0.087 nan 8.240 nan 0.000 0.479 482 L N 1.369 122.534 121.223 -0.097 0.000 2.399 482 L HA 0.433 4.785 4.340 0.020 0.000 0.266 482 L C 0.544 177.438 176.870 0.040 0.000 1.114 482 L CA -1.038 53.724 54.840 -0.130 0.000 0.804 482 L CB 0.590 42.496 42.059 -0.255 0.000 1.146 482 L HN 0.706 nan 8.230 nan 0.000 0.451 483 C N 2.409 121.716 119.300 0.011 0.000 2.502 483 C HA -0.061 4.411 4.460 0.020 0.000 0.404 483 C C 2.037 177.089 174.990 0.104 0.000 1.409 483 C CA -0.420 58.623 59.018 0.041 0.000 1.648 483 C CB 0.041 27.766 27.740 -0.024 0.000 2.571 483 C HN 0.744 nan 8.230 nan 0.000 0.601 484 M N 2.513 122.216 119.600 0.172 0.000 2.476 484 M HA -0.036 4.456 4.480 0.020 0.000 0.262 484 M C 1.448 177.846 176.300 0.163 0.000 1.079 484 M CA 1.330 56.761 55.300 0.218 0.000 1.104 484 M CB -0.931 31.864 32.600 0.326 0.000 1.409 484 M HN 0.812 nan 8.290 nan 0.000 0.467 485 D N -0.296 120.160 120.400 0.092 0.000 2.340 485 D HA 0.246 4.897 4.640 0.020 0.000 0.217 485 D C 0.533 176.862 176.300 0.049 0.000 1.081 485 D CA -0.090 53.944 54.000 0.056 0.000 0.842 485 D CB -0.445 40.368 40.800 0.022 0.000 0.934 485 D HN 0.068 nan 8.370 nan 0.000 0.511 486 A N 0.067 122.920 122.820 0.055 0.000 2.448 486 A HA 0.430 4.762 4.320 0.020 0.000 0.239 486 A C -0.047 177.575 177.584 0.065 0.000 1.080 486 A CA -0.296 51.771 52.037 0.049 0.000 0.779 486 A CB 0.650 19.670 19.000 0.033 0.000 1.026 486 A HN 0.127 nan 8.150 nan 0.000 0.499 487 V N 2.413 122.367 119.914 0.066 0.000 2.531 487 V HA 0.399 4.531 4.120 0.020 0.000 0.301 487 V C -0.022 176.119 176.094 0.079 0.000 1.034 487 V CA -0.304 62.039 62.300 0.071 0.000 0.865 487 V CB 1.306 33.166 31.823 0.061 0.000 0.995 487 V HN 1.062 nan 8.190 nan 0.000 0.424 488 Q N 1.343 121.196 119.800 0.088 0.000 2.552 488 Q HA 0.422 4.774 4.340 0.020 0.000 0.289 488 Q C 0.852 176.923 176.000 0.118 0.000 1.097 488 Q CA -0.847 55.005 55.803 0.082 0.000 0.812 488 Q CB 1.981 30.758 28.738 0.064 0.000 1.460 488 Q HN 0.826 nan 8.270 nan 0.000 0.452 489 H N 0.150 119.212 119.070 -0.013 0.000 2.319 489 H HA -0.152 4.416 4.556 0.020 0.000 0.299 489 H C 0.746 176.218 175.328 0.240 0.000 1.092 489 H CA 1.916 57.990 56.048 0.044 0.000 1.302 489 H CB 0.354 30.085 29.762 -0.052 0.000 1.373 489 H HN 0.626 nan 8.280 nan 0.000 0.497 490 W N 0.951 122.244 121.300 -0.011 0.000 2.800 490 W HA 0.243 4.915 4.660 0.021 0.000 0.249 490 W C 1.250 177.828 176.519 0.098 0.000 1.294 490 W CA 1.326 58.676 57.345 0.008 0.000 1.402 490 W CB -0.388 29.145 29.460 0.122 0.000 1.126 490 W HN 0.477 nan 8.180 nan 0.000 0.652 491 G N -0.659 108.302 108.800 0.268 0.000 2.320 491 G HA2 -0.030 3.942 3.960 0.020 0.000 0.274 491 G HA3 -0.030 3.942 3.960 0.020 0.000 0.274 491 G C -0.873 174.090 174.900 0.105 0.000 1.324 491 G CA -1.164 44.039 45.100 0.171 0.000 0.957 491 G HN -0.178 nan 8.290 nan 0.000 0.481 492 K N 0.042 120.478 120.400 0.059 0.000 2.202 492 K HA 0.273 4.605 4.320 0.020 0.000 0.264 492 K C 1.334 177.980 176.600 0.076 0.000 1.010 492 K CA -0.179 56.149 56.287 0.069 0.000 0.940 492 K CB 1.538 34.079 32.500 0.067 0.000 0.983 492 K HN 0.563 nan 8.250 nan 0.000 0.475 493 Q N 1.746 121.614 119.800 0.113 0.000 2.197 493 Q HA -0.267 4.085 4.340 0.020 0.000 0.207 493 Q C 1.551 177.661 176.000 0.184 0.000 0.984 493 Q CA 1.792 57.684 55.803 0.147 0.000 0.869 493 Q CB -0.346 28.479 28.738 0.145 0.000 0.906 493 Q HN 0.679 nan 8.270 nan 0.000 0.426 494 Y N 0.520 120.848 120.300 0.048 0.000 2.139 494 Y HA -0.295 4.267 4.550 0.020 0.000 0.282 494 Y C 1.386 177.274 175.900 -0.020 0.000 1.179 494 Y CA 2.363 60.486 58.100 0.038 0.000 1.161 494 Y CB -0.018 38.445 38.460 0.006 0.000 0.970 494 Y HN 0.270 nan 8.280 nan 0.000 0.511 495 D N -0.547 119.823 120.400 -0.051 0.000 2.277 495 D HA 0.011 4.663 4.640 0.020 0.000 0.209 495 D C 1.731 177.762 176.300 -0.449 0.000 0.970 495 D CA 1.499 55.215 54.000 -0.473 0.000 0.874 495 D CB 0.053 40.158 40.800 -1.159 0.000 0.982 495 D HN 0.649 nan 8.370 nan 0.000 0.504 496 I N -2.226 118.240 120.570 -0.174 0.000 4.082 496 I HA 0.153 4.335 4.170 0.020 0.000 0.337 496 I C 1.867 178.038 176.117 0.091 0.000 1.352 496 I CA -0.235 61.071 61.300 0.011 0.000 1.097 496 I CB -0.028 38.080 38.000 0.181 0.000 1.048 496 I HN -0.133 nan 8.210 nan 0.000 0.393 497 H N 2.928 121.997 119.070 -0.002 0.000 2.319 497 H HA -0.205 4.363 4.556 0.020 0.000 0.297 497 H C 1.122 176.405 175.328 -0.074 0.000 1.097 497 H CA 2.446 58.470 56.048 -0.040 0.000 1.285 497 H CB -0.093 29.610 29.762 -0.100 0.000 1.368 497 H HN 0.560 nan 8.280 nan 0.000 0.495 498 N N 0.030 118.723 118.700 -0.011 0.000 2.550 498 N HA -0.042 4.710 4.740 0.020 0.000 0.186 498 N C 1.301 176.796 175.510 -0.024 0.000 1.110 498 N CA 0.069 53.111 53.050 -0.014 0.000 0.912 498 N CB 0.199 38.777 38.487 0.152 0.000 0.968 498 N HN 0.360 nan 8.380 nan 0.000 0.448 499 L N -0.860 120.338 121.223 -0.042 0.000 2.640 499 L HA 0.065 4.417 4.340 0.020 0.000 0.230 499 L C 1.505 178.462 176.870 0.145 0.000 1.123 499 L CA -0.103 54.763 54.840 0.043 0.000 0.900 499 L CB -0.178 41.975 42.059 0.156 0.000 1.146 499 L HN 0.187 nan 8.230 nan 0.000 0.484 500 Y N 1.562 121.834 120.300 -0.048 0.000 2.114 500 Y HA -0.189 4.372 4.550 0.019 0.000 0.284 500 Y C 2.363 178.240 175.900 -0.039 0.000 1.143 500 Y CA 1.984 60.050 58.100 -0.057 0.000 1.135 500 Y CB -0.137 38.241 38.460 -0.137 0.000 0.980 500 Y HN 0.121 nan 8.280 nan 0.000 0.499 501 G N -1.676 107.232 108.800 0.180 0.000 2.421 501 G HA2 -0.322 3.650 3.960 0.020 0.000 0.217 501 G HA3 -0.322 3.650 3.960 0.020 0.000 0.217 501 G C 1.481 176.407 174.900 0.043 0.000 1.143 501 G CA 0.776 45.939 45.100 0.105 0.000 0.784 501 G HN 0.566 nan 8.290 nan 0.000 0.541 502 Y N 2.978 123.275 120.300 -0.005 0.000 2.097 502 Y HA -0.248 4.314 4.550 0.020 0.000 0.282 502 Y C 3.110 178.915 175.900 -0.159 0.000 1.152 502 Y CA 2.141 60.240 58.100 -0.001 0.000 1.136 502 Y CB -0.406 38.128 38.460 0.123 0.000 0.975 502 Y HN 0.298 nan 8.280 nan 0.000 0.498 503 S N -0.063 115.521 115.700 -0.194 0.000 2.383 503 S HA -0.287 4.195 4.470 0.020 0.000 0.227 503 S C 2.186 176.441 174.600 -0.574 0.000 1.026 503 S CA 1.374 59.311 58.200 -0.439 0.000 0.981 503 S CB -0.843 62.059 63.200 -0.497 0.000 0.818 503 S HN 0.677 nan 8.310 nan 0.000 0.472 504 M N 1.773 120.967 119.600 -0.677 0.000 2.086 504 M HA -0.021 4.471 4.480 0.020 0.000 0.261 504 M C 2.382 178.335 176.300 -0.579 0.000 1.067 504 M CA 1.739 56.433 55.300 -1.009 0.000 1.116 504 M CB -0.567 31.486 32.600 -0.911 0.000 1.348 504 M HN 0.488 nan 8.290 nan 0.000 0.407 505 A N -0.469 122.115 122.820 -0.393 0.000 1.933 505 A HA -0.117 4.215 4.320 0.020 0.000 0.218 505 A C 2.029 179.317 177.584 -0.495 0.000 1.175 505 A CA 1.836 53.701 52.037 -0.286 0.000 0.628 505 A CB -1.119 17.793 19.000 -0.146 0.000 0.814 505 A HN 0.426 nan 8.150 nan 0.000 0.444 506 V N -0.188 119.221 119.914 -0.842 0.000 2.295 506 V HA -0.258 3.874 4.120 0.020 0.000 0.246 506 V C 3.046 178.877 176.094 -0.439 0.000 1.049 506 V CA 1.992 63.671 62.300 -1.035 0.000 1.024 506 V CB -1.203 30.023 31.823 -0.995 0.000 0.648 506 V HN 0.616 nan 8.190 nan 0.000 0.447 507 A N -0.453 122.178 122.820 -0.315 0.000 1.969 507 A HA -0.195 4.137 4.320 0.020 0.000 0.218 507 A C 2.376 180.060 177.584 0.166 0.000 1.169 507 A CA 2.353 54.358 52.037 -0.054 0.000 0.635 507 A CB -0.811 18.153 19.000 -0.059 0.000 0.810 507 A HN 0.516 nan 8.150 nan 0.000 0.445 508 T N 0.130 114.755 114.554 0.117 0.000 2.812 508 T HA 0.071 4.433 4.350 0.020 0.000 0.264 508 T C 2.244 176.964 174.700 0.034 0.000 1.042 508 T CA 1.287 63.502 62.100 0.191 0.000 1.140 508 T CB -0.378 68.608 68.868 0.196 0.000 0.870 508 T HN 0.569 nan 8.240 nan 0.000 0.445 509 A N 1.522 124.354 122.820 0.020 0.000 1.933 509 A HA -0.140 4.192 4.320 0.020 0.000 0.218 509 A C 2.186 179.812 177.584 0.070 0.000 1.175 509 A CA 2.025 54.112 52.037 0.083 0.000 0.628 509 A CB -0.599 18.543 19.000 0.237 0.000 0.814 509 A HN 0.493 nan 8.150 nan 0.000 0.444 510 E N 0.269 120.497 120.200 0.047 0.000 2.051 510 E HA -0.089 4.273 4.350 0.020 0.000 0.192 510 E C 2.026 178.652 176.600 0.042 0.000 0.991 510 E CA 1.653 58.086 56.400 0.054 0.000 0.799 510 E CB -0.476 29.256 29.700 0.052 0.000 0.748 510 E HN 0.472 nan 8.360 nan 0.000 0.449 511 A N 0.791 123.636 122.820 0.041 0.000 1.940 511 A HA -0.127 4.205 4.320 0.020 0.000 0.219 511 A C 2.433 179.952 177.584 -0.110 0.000 1.176 511 A CA 2.130 54.138 52.037 -0.049 0.000 0.631 511 A CB -1.060 17.837 19.000 -0.172 0.000 0.814 511 A HN 0.412 nan 8.150 nan 0.000 0.446 512 A N -0.287 122.508 122.820 -0.042 0.000 2.019 512 A HA -0.136 4.196 4.320 0.020 0.000 0.219 512 A C 2.022 179.644 177.584 0.064 0.000 1.164 512 A CA 1.628 53.716 52.037 0.085 0.000 0.644 512 A CB -0.404 18.718 19.000 0.204 0.000 0.805 512 A HN 0.578 nan 8.150 nan 0.000 0.449 513 K N -0.905 119.513 120.400 0.031 0.000 2.152 513 K HA -0.113 4.219 4.320 0.020 0.000 0.206 513 K C 1.795 178.384 176.600 -0.019 0.000 1.048 513 K CA 1.802 58.103 56.287 0.023 0.000 0.933 513 K CB -0.240 32.276 32.500 0.027 0.000 0.721 513 K HN 0.488 nan 8.250 nan 0.000 0.447 514 T N 0.252 114.765 114.554 -0.068 0.000 2.983 514 T HA -0.002 4.360 4.350 0.020 0.000 0.250 514 T C 1.983 176.553 174.700 -0.217 0.000 1.037 514 T CA 0.449 62.483 62.100 -0.109 0.000 1.142 514 T CB 0.142 68.953 68.868 -0.095 0.000 0.876 514 T HN -0.093 nan 8.240 nan 0.000 0.455 515 V N 0.653 120.348 119.914 -0.365 0.000 2.548 515 V HA 0.076 4.208 4.120 0.020 0.000 0.249 515 V C 0.329 175.825 176.094 -0.996 0.000 1.055 515 V CA 1.179 63.021 62.300 -0.764 0.000 1.065 515 V CB -0.433 30.780 31.823 -1.017 0.000 0.681 515 V HN 0.402 nan 8.190 nan 0.000 0.462 516 F N 0.115 119.941 119.950 -0.207 0.000 2.531 516 F HA 0.460 4.997 4.527 0.017 0.000 0.333 516 F C -2.608 173.140 175.800 -0.087 0.000 1.292 516 F CA -3.324 54.583 58.000 -0.155 0.000 1.184 516 F CB 0.012 38.950 39.000 -0.103 0.000 1.426 516 F HN 0.022 nan 8.300 nan 0.000 0.559 517 P HA 0.064 nan 4.420 nan 0.000 0.263 517 P C 0.271 177.597 177.300 0.043 0.000 1.195 517 P CA 0.584 63.698 63.100 0.023 0.000 0.762 517 P CB 0.382 32.077 31.700 -0.009 0.000 0.799 518 N N -0.260 118.465 118.700 0.041 0.000 2.713 518 N HA -0.171 4.581 4.740 0.020 0.000 0.251 518 N C -0.214 175.316 175.510 0.034 0.000 1.117 518 N CA 1.319 54.389 53.050 0.034 0.000 0.770 518 N CB -0.808 37.694 38.487 0.024 0.000 1.137 518 N HN 0.460 nan 8.380 nan 0.000 0.566 519 K N 0.583 121.017 120.400 0.056 0.000 2.166 519 K HA 0.382 4.714 4.320 0.020 0.000 0.245 519 K C 1.403 178.013 176.600 0.017 0.000 0.967 519 K CA -0.634 55.674 56.287 0.035 0.000 0.863 519 K CB 1.259 33.787 32.500 0.046 0.000 1.107 519 K HN 0.033 nan 8.250 nan 0.000 0.436 520 R N 0.458 120.939 120.500 -0.031 0.000 2.090 520 R HA -0.060 4.292 4.340 0.020 0.000 0.228 520 R C 0.981 177.230 176.300 -0.085 0.000 1.110 520 R CA 0.964 57.024 56.100 -0.067 0.000 0.973 520 R CB -0.090 30.136 30.300 -0.123 0.000 0.869 520 R HN 0.883 nan 8.270 nan 0.000 0.440 521 S N -0.735 114.892 115.700 -0.123 0.000 3.330 521 S HA -0.309 4.173 4.470 0.020 0.000 0.630 521 S C -0.621 173.949 174.600 -0.051 0.000 2.776 521 S CA 1.106 59.202 58.200 -0.174 0.000 3.494 521 S CB -0.804 62.118 63.200 -0.463 0.000 0.291 521 S HN 0.318 nan 8.310 nan 0.000 1.451 522 F N 0.657 120.512 119.950 -0.158 0.000 2.639 522 F HA 0.718 5.257 4.527 0.020 0.000 0.326 522 F C -1.253 174.529 175.800 -0.031 0.000 1.150 522 F CA -0.688 57.205 58.000 -0.179 0.000 1.057 522 F CB 0.787 39.651 39.000 -0.228 0.000 1.300 522 F HN 0.581 nan 8.300 nan 0.000 0.486 523 I N 6.798 127.000 120.570 -0.613 0.000 2.436 523 I HA 0.465 4.647 4.170 0.020 0.000 0.289 523 I C -1.520 174.109 176.117 -0.813 0.000 1.010 523 I CA -1.047 59.950 61.300 -0.505 0.000 1.098 523 I CB 1.929 39.822 38.000 -0.178 0.000 1.266 523 I HN 0.525 nan 8.210 nan 0.000 0.434 524 L N 6.083 126.937 121.223 -0.616 0.000 2.325 524 L HA 0.637 4.989 4.340 0.020 0.000 0.281 524 L C -0.349 176.562 176.870 0.068 0.000 1.004 524 L CA 0.262 54.837 54.840 -0.442 0.000 0.823 524 L CB 1.765 43.533 42.059 -0.486 0.000 1.236 524 L HN 0.605 nan 8.230 nan 0.000 0.415 525 T N 3.725 118.378 114.554 0.164 0.000 2.887 525 T HA 0.433 4.795 4.350 0.020 0.000 0.288 525 T C 0.734 175.668 174.700 0.391 0.000 1.021 525 T CA -0.427 61.859 62.100 0.310 0.000 1.000 525 T CB 1.603 70.569 68.868 0.164 0.000 1.034 525 T HN 0.825 nan 8.240 nan 0.000 0.467 526 R N 2.013 122.689 120.500 0.294 0.000 2.046 526 R HA 0.233 4.585 4.340 0.020 0.000 0.223 526 R C 0.882 177.200 176.300 0.030 0.000 1.179 526 R CA 0.445 56.445 56.100 -0.166 0.000 0.952 526 R CB -0.416 29.690 30.300 -0.323 0.000 0.843 526 R HN 0.555 nan 8.270 nan 0.000 0.439 527 S N 0.069 115.824 115.700 0.092 0.000 2.565 527 S HA 0.170 4.652 4.470 0.020 0.000 0.276 527 S C -0.471 174.198 174.600 0.115 0.000 1.326 527 S CA -0.229 58.043 58.200 0.119 0.000 1.045 527 S CB 0.881 64.151 63.200 0.117 0.000 0.918 527 S HN 0.467 nan 8.310 nan 0.000 0.505 528 T N 1.829 116.450 114.554 0.111 0.000 2.883 528 T HA 0.749 5.111 4.350 0.020 0.000 0.296 528 T C -0.994 173.857 174.700 0.251 0.000 1.117 528 T CA -0.704 61.496 62.100 0.167 0.000 1.006 528 T CB 1.303 70.224 68.868 0.090 0.000 1.191 528 T HN 0.470 nan 8.240 nan 0.000 0.508 529 F N 0.584 120.605 119.950 0.118 0.000 2.691 529 F HA 0.771 5.310 4.527 0.019 0.000 0.334 529 F C -0.217 175.603 175.800 0.032 0.000 1.107 529 F CA -1.065 56.950 58.000 0.025 0.000 0.991 529 F CB 1.268 40.211 39.000 -0.096 0.000 1.400 529 F HN 1.009 nan 8.300 nan 0.000 0.503 530 A N 1.285 123.691 122.820 -0.690 0.000 2.548 530 A HA 0.426 4.758 4.320 0.020 0.000 0.247 530 A C 1.007 178.604 177.584 0.021 0.000 1.067 530 A CA 0.960 52.769 52.037 -0.380 0.000 0.757 530 A CB -1.217 17.459 19.000 -0.539 0.000 0.996 530 A HN 2.029 nan 8.150 nan 0.000 0.504 531 G N 1.670 110.480 108.800 0.015 0.000 2.194 531 G HA2 -0.262 3.710 3.960 0.020 0.000 0.236 531 G HA3 -0.262 3.710 3.960 0.020 0.000 0.236 531 G C 1.293 176.405 174.900 0.353 0.000 0.987 531 G CA 0.727 45.943 45.100 0.194 0.000 0.635 531 G HN 1.012 nan 8.290 nan 0.000 0.520 532 S N 0.421 116.360 115.700 0.398 0.000 2.400 532 S HA 0.016 4.498 4.470 0.020 0.000 0.232 532 S C 2.493 177.246 174.600 0.255 0.000 1.025 532 S CA 1.859 60.318 58.200 0.432 0.000 0.993 532 S CB -0.483 62.925 63.200 0.346 0.000 0.808 532 S HN 1.317 nan 8.310 nan 0.000 0.478 533 G N 1.449 110.326 108.800 0.128 0.000 2.479 533 G HA2 -0.245 3.726 3.960 0.020 0.000 0.220 533 G HA3 -0.245 3.726 3.960 0.020 0.000 0.220 533 G C 1.220 176.065 174.900 -0.091 0.000 1.115 533 G CA 0.927 46.049 45.100 0.038 0.000 0.757 533 G HN 0.519 nan 8.290 nan 0.000 0.560 534 K N -0.605 119.656 120.400 -0.231 0.000 2.211 534 K HA -0.042 4.290 4.320 0.020 0.000 0.204 534 K C 1.490 177.650 176.600 -0.732 0.000 1.047 534 K CA 1.132 57.082 56.287 -0.562 0.000 0.935 534 K CB -0.168 31.827 32.500 -0.841 0.000 0.728 534 K HN 0.407 nan 8.250 nan 0.000 0.452 535 F N -0.752 119.171 119.950 -0.045 0.000 2.637 535 F HA 0.384 4.923 4.527 0.019 0.000 0.284 535 F C 0.516 176.257 175.800 -0.099 0.000 1.105 535 F CA -0.207 57.751 58.000 -0.070 0.000 1.356 535 F CB 0.703 39.651 39.000 -0.086 0.000 1.096 535 F HN -0.062 nan 8.300 nan 0.000 0.616 536 A N -0.066 122.789 122.820 0.058 0.000 2.572 536 A HA 0.826 5.158 4.320 0.020 0.000 0.295 536 A C -0.727 176.808 177.584 -0.081 0.000 1.072 536 A CA -0.437 51.568 52.037 -0.053 0.000 0.691 536 A CB 0.471 19.470 19.000 -0.001 0.000 1.291 536 A HN 0.134 nan 8.150 nan 0.000 0.404 537 A N 0.236 122.920 122.820 -0.226 0.000 2.280 537 A HA 0.666 4.998 4.320 0.020 0.000 0.268 537 A C -0.102 177.410 177.584 -0.120 0.000 1.111 537 A CA 0.293 52.211 52.037 -0.200 0.000 0.814 537 A CB 0.144 18.910 19.000 -0.390 0.000 1.093 537 A HN 1.692 nan 8.150 nan 0.000 0.498 538 H N -1.749 117.177 119.070 -0.241 0.000 2.851 538 H HA 0.548 5.116 4.556 0.021 0.000 0.372 538 H C -1.278 173.955 175.328 -0.158 0.000 1.158 538 H CA -0.774 55.146 56.048 -0.214 0.000 1.159 538 H CB 1.061 30.613 29.762 -0.351 0.000 1.757 538 H HN 0.870 nan 8.280 nan 0.000 0.546 539 W N 5.373 126.084 121.300 -0.982 0.000 2.799 539 W HA 0.465 5.140 4.660 0.025 0.000 0.349 539 W C -0.995 174.924 176.519 -1.000 0.000 1.100 539 W CA -1.207 55.690 57.345 -0.747 0.000 1.174 539 W CB 1.000 30.267 29.460 -0.320 0.000 1.427 539 W HN 0.503 nan 8.180 nan 0.000 0.547 540 L N 4.089 124.946 121.223 -0.609 0.000 2.627 540 L HA 0.323 4.675 4.340 0.020 0.000 0.233 540 L C 1.218 177.869 176.870 -0.365 0.000 1.144 540 L CA 0.854 55.436 54.840 -0.430 0.000 0.892 540 L CB -1.213 40.802 42.059 -0.074 0.000 1.039 540 L HN 1.027 nan 8.230 nan 0.000 0.442 541 G N 0.166 108.411 108.800 -0.924 0.000 2.545 541 G HA2 -0.225 3.747 3.960 0.020 0.000 0.216 541 G HA3 -0.225 3.747 3.960 0.020 0.000 0.216 541 G C -0.750 174.092 174.900 -0.096 0.000 1.314 541 G CA -0.510 44.107 45.100 -0.805 0.000 0.906 541 G HN 0.163 nan 8.290 nan 0.000 0.563 542 D N 2.514 122.929 120.400 0.025 0.000 2.619 542 D HA 0.279 4.931 4.640 0.020 0.000 0.224 542 D C 1.230 177.706 176.300 0.294 0.000 1.133 542 D CA 0.049 54.059 54.000 0.017 0.000 1.017 542 D CB -0.460 40.361 40.800 0.036 0.000 1.077 542 D HN 0.626 nan 8.370 nan 0.000 0.503 543 N N -0.192 118.699 118.700 0.318 0.000 2.328 543 N HA 0.186 4.938 4.740 0.020 0.000 0.277 543 N C -0.136 175.588 175.510 0.357 0.000 1.286 543 N CA -0.174 53.090 53.050 0.356 0.000 0.949 543 N CB 0.301 39.015 38.487 0.378 0.000 1.136 543 N HN -0.125 nan 8.380 nan 0.000 0.550 544 T N -1.502 113.242 114.554 0.318 0.000 2.906 544 T HA 0.654 5.016 4.350 0.020 0.000 0.295 544 T C -0.459 174.370 174.700 0.216 0.000 1.061 544 T CA -0.580 61.647 62.100 0.211 0.000 1.000 544 T CB 1.504 70.488 68.868 0.193 0.000 1.103 544 T HN 0.703 nan 8.240 nan 0.000 0.486 545 A N 2.711 125.588 122.820 0.096 0.000 3.026 545 A HA 0.504 4.836 4.320 0.020 0.000 0.272 545 A C 0.818 178.456 177.584 0.091 0.000 1.782 545 A CA -0.247 51.861 52.037 0.120 0.000 1.451 545 A CB -1.273 17.721 19.000 -0.010 0.000 1.081 545 A HN 0.833 nan 8.150 nan 0.000 0.611 546 T N -4.238 110.376 114.554 0.101 0.000 2.906 546 T HA 0.440 4.802 4.350 0.020 0.000 0.295 546 T C 0.373 174.951 174.700 -0.203 0.000 1.075 546 T CA -0.669 61.420 62.100 -0.020 0.000 1.005 546 T CB 0.708 69.581 68.868 0.009 0.000 1.136 546 T HN 0.403 nan 8.240 nan 0.000 0.498 547 W N 0.572 121.780 121.300 -0.154 0.000 2.402 547 W HA 0.057 4.730 4.660 0.022 0.000 0.286 547 W C 1.861 178.129 176.519 -0.419 0.000 1.221 547 W CA 0.912 58.103 57.345 -0.257 0.000 1.257 547 W CB -0.305 29.049 29.460 -0.177 0.000 1.120 547 W HN 0.746 nan 8.180 nan 0.000 0.551 548 D N 0.360 120.563 120.400 -0.328 0.000 2.104 548 D HA -0.181 4.471 4.640 0.020 0.000 0.194 548 D C 1.339 176.917 176.300 -1.203 0.000 0.994 548 D CA 1.830 55.262 54.000 -0.947 0.000 0.830 548 D CB -0.596 39.441 40.800 -1.270 0.000 0.959 548 D HN 0.163 nan 8.370 nan 0.000 0.452 549 D N -0.059 119.956 120.400 -0.642 0.000 2.144 549 D HA -0.131 4.521 4.640 0.020 0.000 0.199 549 D C 1.981 178.127 176.300 -0.257 0.000 0.984 549 D CA 0.349 54.268 54.000 -0.135 0.000 0.834 549 D CB -0.140 40.807 40.800 0.245 0.000 0.955 549 D HN 0.073 nan 8.370 nan 0.000 0.465 550 L N 0.906 121.654 121.223 -0.791 0.000 1.989 550 L HA -0.160 4.192 4.340 0.020 0.000 0.211 550 L C 1.949 178.568 176.870 -0.418 0.000 1.071 550 L CA 1.788 55.936 54.840 -1.153 0.000 0.749 550 L CB -0.256 41.016 42.059 -1.311 0.000 0.890 550 L HN -0.114 nan 8.230 nan 0.000 0.431 551 R N -1.474 118.858 120.500 -0.281 0.000 2.081 551 R HA -0.193 4.159 4.340 0.020 0.000 0.235 551 R C 2.018 178.432 176.300 0.190 0.000 1.131 551 R CA 1.771 57.841 56.100 -0.050 0.000 0.960 551 R CB -0.544 29.722 30.300 -0.057 0.000 0.856 551 R HN 0.468 nan 8.270 nan 0.000 0.436 552 W N 0.830 122.183 121.300 0.089 0.000 2.595 552 W HA -0.028 4.644 4.660 0.020 0.000 0.257 552 W C 2.377 178.978 176.519 0.136 0.000 1.267 552 W CA 0.928 58.353 57.345 0.134 0.000 1.300 552 W CB -0.916 28.626 29.460 0.136 0.000 1.120 552 W HN 0.187 nan 8.180 nan 0.000 0.618 553 S N 0.032 115.933 115.700 0.334 0.000 2.399 553 S HA -0.184 4.298 4.470 0.020 0.000 0.231 553 S C 1.790 176.513 174.600 0.205 0.000 1.022 553 S CA 1.201 59.562 58.200 0.268 0.000 0.983 553 S CB -0.761 62.630 63.200 0.318 0.000 0.803 553 S HN 0.226 nan 8.310 nan 0.000 0.480 554 I N 2.312 123.009 120.570 0.212 0.000 2.233 554 I HA -0.012 4.170 4.170 0.020 0.000 0.243 554 I C -0.764 175.387 176.117 0.056 0.000 1.093 554 I CA 0.652 62.014 61.300 0.105 0.000 1.380 554 I CB -1.142 36.937 38.000 0.131 0.000 1.067 554 I HN 0.239 nan 8.210 nan 0.000 0.413 555 P HA -0.141 nan 4.420 nan 0.000 0.216 555 P C 1.604 178.998 177.300 0.157 0.000 1.150 555 P CA 1.689 64.891 63.100 0.170 0.000 0.837 555 P CB -0.235 31.633 31.700 0.279 0.000 0.786 556 G N -0.394 108.512 108.800 0.177 0.000 2.418 556 G HA2 -0.228 3.744 3.960 0.020 0.000 0.217 556 G HA3 -0.228 3.744 3.960 0.020 0.000 0.217 556 G C 1.640 176.697 174.900 0.262 0.000 1.158 556 G CA 0.652 45.896 45.100 0.240 0.000 0.771 556 G HN 0.158 nan 8.290 nan 0.000 0.545 557 V N 0.882 120.860 119.914 0.106 0.000 2.307 557 V HA -0.104 4.028 4.120 0.020 0.000 0.245 557 V C 2.929 179.019 176.094 -0.007 0.000 1.045 557 V CA 1.438 63.767 62.300 0.048 0.000 1.024 557 V CB -0.382 31.395 31.823 -0.076 0.000 0.651 557 V HN 0.347 nan 8.190 nan 0.000 0.449 558 L N -0.429 120.711 121.223 -0.140 0.000 2.046 558 L HA -0.210 4.142 4.340 0.020 0.000 0.208 558 L C 2.540 179.312 176.870 -0.163 0.000 1.077 558 L CA 1.739 56.419 54.840 -0.267 0.000 0.747 558 L CB -0.624 41.020 42.059 -0.692 0.000 0.896 558 L HN 0.379 nan 8.230 nan 0.000 0.432 559 E N -0.327 119.827 120.200 -0.077 0.000 2.072 559 E HA -0.196 4.166 4.350 0.020 0.000 0.191 559 E C 2.079 178.135 176.600 -0.906 0.000 0.985 559 E CA 1.217 57.388 56.400 -0.381 0.000 0.801 559 E CB -0.115 29.454 29.700 -0.217 0.000 0.750 559 E HN 0.330 nan 8.360 nan 0.000 0.452 560 F N 1.409 121.199 119.950 -0.267 0.000 2.293 560 F HA -0.121 4.418 4.527 0.021 0.000 0.300 560 F C 2.057 177.826 175.800 -0.053 0.000 1.086 560 F CA 0.805 58.787 58.000 -0.030 0.000 1.375 560 F CB -0.128 38.981 39.000 0.181 0.000 1.045 560 F HN 0.045 nan 8.300 nan 0.000 0.516 561 N N 0.402 119.108 118.700 0.011 0.000 2.166 561 N HA -0.141 4.611 4.740 0.020 0.000 0.186 561 N C 1.992 177.459 175.510 -0.072 0.000 1.019 561 N CA 1.109 54.138 53.050 -0.034 0.000 0.856 561 N CB -0.293 38.149 38.487 -0.076 0.000 0.993 561 N HN 0.303 nan 8.380 nan 0.000 0.426 562 L N 0.097 121.224 121.223 -0.161 0.000 2.083 562 L HA -0.126 4.226 4.340 0.020 0.000 0.209 562 L C 1.431 178.305 176.870 0.007 0.000 1.083 562 L CA 0.980 55.781 54.840 -0.066 0.000 0.752 562 L CB -0.465 41.549 42.059 -0.074 0.000 0.899 562 L HN 0.081 nan 8.230 nan 0.000 0.433 563 F N 0.321 120.283 119.950 0.020 0.000 2.802 563 F HA 0.191 4.729 4.527 0.019 0.000 0.300 563 F C 1.851 177.634 175.800 -0.029 0.000 1.168 563 F CA 0.223 58.224 58.000 0.002 0.000 1.433 563 F CB -1.282 37.631 39.000 -0.146 0.000 1.115 563 F HN 0.194 nan 8.300 nan 0.000 0.582 564 G N 1.064 109.911 108.800 0.079 0.000 2.160 564 G HA2 -0.312 3.660 3.960 0.020 0.000 0.251 564 G HA3 -0.312 3.660 3.960 0.020 0.000 0.251 564 G C 0.276 175.206 174.900 0.049 0.000 1.008 564 G CA 0.154 45.235 45.100 -0.031 0.000 0.724 564 G HN 0.420 nan 8.290 nan 0.000 0.514 565 I N 0.936 121.612 120.570 0.177 0.000 2.692 565 I HA 0.192 4.374 4.170 0.020 0.000 0.285 565 I C -1.017 175.229 176.117 0.215 0.000 1.191 565 I CA -2.069 59.365 61.300 0.223 0.000 1.128 565 I CB 1.218 39.446 38.000 0.379 0.000 1.585 565 I HN -0.073 nan 8.210 nan 0.000 0.558 566 P HA -0.141 nan 4.420 nan 0.000 0.221 566 P C 0.886 178.327 177.300 0.234 0.000 1.150 566 P CA 0.909 64.062 63.100 0.090 0.000 0.800 566 P CB 0.379 32.001 31.700 -0.130 0.000 0.787 567 M N 1.140 120.967 119.600 0.380 0.000 2.618 567 M HA 0.245 4.737 4.480 0.020 0.000 0.322 567 M C -0.938 175.489 176.300 0.211 0.000 1.471 567 M CA 0.021 55.540 55.300 0.365 0.000 1.450 567 M CB -0.313 32.416 32.600 0.215 0.000 1.444 567 M HN -0.281 nan 8.290 nan 0.000 0.471 568 V N 4.026 124.090 119.914 0.250 0.000 2.971 568 V HA 1.026 5.158 4.120 0.020 0.000 0.309 568 V C -0.641 175.568 176.094 0.192 0.000 1.130 568 V CA -0.023 62.371 62.300 0.157 0.000 0.964 568 V CB 2.372 34.270 31.823 0.126 0.000 1.029 568 V HN 0.811 nan 8.190 nan 0.000 0.427 569 G N 5.141 114.014 108.800 0.122 0.000 2.579 569 G HA2 0.657 4.629 3.960 0.020 0.000 0.292 569 G HA3 0.657 4.629 3.960 0.020 0.000 0.292 569 G C -3.568 171.280 174.900 -0.087 0.000 1.484 569 G CA -0.602 44.438 45.100 -0.099 0.000 0.813 569 G HN 0.667 nan 8.290 nan 0.000 0.515 570 P HA 0.364 nan 4.420 nan 0.000 0.297 570 P C -1.036 176.290 177.300 0.042 0.000 1.307 570 P CA -0.486 62.617 63.100 0.005 0.000 0.773 570 P CB 1.228 33.004 31.700 0.126 0.000 1.265 571 D N 0.319 120.783 120.400 0.107 0.000 2.344 571 D HA 0.239 4.891 4.640 0.020 0.000 0.253 571 D C 0.449 176.541 176.300 -0.347 0.000 1.255 571 D CA 0.191 54.189 54.000 -0.003 0.000 0.894 571 D CB -0.417 40.488 40.800 0.175 0.000 1.067 571 D HN 0.217 nan 8.370 nan 0.000 0.492 572 I N 1.672 122.021 120.570 -0.368 0.000 2.710 572 I HA -0.132 4.050 4.170 0.020 0.000 0.286 572 I C 1.085 176.694 176.117 -0.846 0.000 1.181 572 I CA -0.033 60.831 61.300 -0.726 0.000 1.430 572 I CB 0.430 38.322 38.000 -0.180 0.000 1.367 572 I HN 0.614 nan 8.210 nan 0.000 0.577 573 c N 3.739 121.483 118.600 -1.425 0.000 5.716 573 c HA -0.117 4.465 4.570 0.020 0.000 0.276 573 c C 0.805 174.541 174.090 -0.591 0.000 1.974 573 c CA 0.263 56.211 56.329 -0.635 0.000 1.737 573 c CB -2.431 39.967 42.510 -0.187 0.000 2.710 573 c HN 1.513 nan 8.230 nan 0.000 0.494 574 G N -1.233 107.091 108.800 -0.794 0.000 3.225 574 G HA2 0.148 4.120 3.960 0.020 0.000 0.686 574 G HA3 0.148 4.120 3.960 0.020 0.000 0.686 574 G C -0.370 174.470 174.900 -0.099 0.000 1.105 574 G CA 0.069 44.974 45.100 -0.326 0.000 0.831 574 G HN 1.080 nan 8.290 nan 0.000 0.578 575 F N 2.847 122.740 119.950 -0.096 0.000 2.022 575 F HA 0.476 5.014 4.527 0.019 0.000 0.293 575 F C 2.029 177.770 175.800 -0.098 0.000 1.142 575 F CA 2.260 60.233 58.000 -0.045 0.000 1.177 575 F CB -0.350 38.718 39.000 0.114 0.000 0.982 575 F HN 1.147 nan 8.300 nan 0.000 0.473 576 A N 1.108 123.901 122.820 -0.045 0.000 2.440 576 A HA 0.504 4.836 4.320 0.020 0.000 0.251 576 A C -0.763 176.397 177.584 -0.708 0.000 1.089 576 A CA -0.240 51.544 52.037 -0.421 0.000 0.779 576 A CB -0.116 18.898 19.000 0.024 0.000 1.022 576 A HN 0.627 nan 8.150 nan 0.000 0.492 577 L N 0.747 121.025 121.223 -1.575 0.000 0.584 577 L HA -0.127 4.225 4.340 0.020 0.000 0.356 577 L C -0.699 175.828 176.870 -0.572 0.000 0.985 577 L CA 0.049 54.354 54.840 -0.890 0.000 1.223 577 L CB -1.028 40.854 42.059 -0.296 0.000 0.010 577 L HN 0.883 nan 8.230 nan 0.000 0.091 578 D N 0.717 121.016 120.400 -0.168 0.000 2.425 578 D HA 0.298 4.950 4.640 0.020 0.000 0.247 578 D C 0.426 176.717 176.300 -0.015 0.000 1.147 578 D CA 0.289 54.278 54.000 -0.019 0.000 0.879 578 D CB 0.777 41.604 40.800 0.046 0.000 1.179 578 D HN 0.559 nan 8.370 nan 0.000 0.456 579 T N 2.451 117.022 114.554 0.027 0.000 2.806 579 T HA 0.386 4.748 4.350 0.020 0.000 0.290 579 T C -2.425 172.355 174.700 0.133 0.000 0.966 579 T CA -1.924 60.217 62.100 0.068 0.000 1.060 579 T CB 0.674 69.592 68.868 0.084 0.000 0.927 579 T HN 0.054 nan 8.240 nan 0.000 0.485 580 P HA 0.131 nan 4.420 nan 0.000 0.268 580 P C 0.912 178.317 177.300 0.175 0.000 1.205 580 P CA -0.248 62.943 63.100 0.151 0.000 0.771 580 P CB 0.557 32.356 31.700 0.164 0.000 0.858 581 E N 2.703 123.037 120.200 0.224 0.000 2.097 581 E HA -0.284 4.078 4.350 0.020 0.000 0.196 581 E C 1.427 178.049 176.600 0.036 0.000 1.000 581 E CA 1.750 58.248 56.400 0.164 0.000 0.804 581 E CB 0.020 29.842 29.700 0.203 0.000 0.740 581 E HN 0.605 nan 8.360 nan 0.000 0.454 582 E N -0.074 120.203 120.200 0.127 0.000 2.072 582 E HA -0.172 4.190 4.350 0.020 0.000 0.191 582 E C 2.421 179.099 176.600 0.130 0.000 0.985 582 E CA 0.810 57.319 56.400 0.182 0.000 0.801 582 E CB -0.115 29.772 29.700 0.311 0.000 0.750 582 E HN 0.210 nan 8.360 nan 0.000 0.452 583 L N 0.842 122.054 121.223 -0.017 0.000 2.027 583 L HA -0.145 4.207 4.340 0.020 0.000 0.206 583 L C 2.505 179.250 176.870 -0.207 0.000 1.074 583 L CA 1.819 56.322 54.840 -0.561 0.000 0.745 583 L CB -0.962 40.669 42.059 -0.713 0.000 0.898 583 L HN 0.301 nan 8.230 nan 0.000 0.433 584 c N 0.073 118.628 118.600 -0.076 0.000 2.425 584 c HA -0.161 4.421 4.570 0.020 0.000 0.277 584 c C 3.089 177.109 174.090 -0.118 0.000 1.280 584 c CA 1.187 57.476 56.329 -0.067 0.000 1.744 584 c CB -0.919 41.499 42.510 -0.152 0.000 1.989 584 c HN 0.719 nan 8.230 nan 0.000 0.491 585 R N 0.051 120.452 120.500 -0.165 0.000 2.073 585 R HA -0.098 4.253 4.340 0.020 0.000 0.234 585 R C 2.435 178.726 176.300 -0.015 0.000 1.134 585 R CA 1.532 57.566 56.100 -0.111 0.000 0.952 585 R CB -0.290 29.962 30.300 -0.078 0.000 0.850 585 R HN 0.365 nan 8.270 nan 0.000 0.433 586 R N -0.174 120.330 120.500 0.007 0.000 2.096 586 R HA -0.164 4.188 4.340 0.020 0.000 0.235 586 R C 1.898 178.219 176.300 0.034 0.000 1.127 586 R CA 1.004 57.116 56.100 0.020 0.000 0.968 586 R CB -0.919 29.420 30.300 0.065 0.000 0.861 586 R HN 0.472 nan 8.270 nan 0.000 0.440 587 W N 0.675 121.890 121.300 -0.142 0.000 2.418 587 W HA 0.003 4.677 4.660 0.023 0.000 0.292 587 W C 1.692 178.181 176.519 -0.050 0.000 1.213 587 W CA 0.637 57.931 57.345 -0.085 0.000 1.283 587 W CB -0.125 29.283 29.460 -0.087 0.000 1.119 587 W HN -0.013 nan 8.180 nan 0.000 0.542 588 M N 0.251 119.958 119.600 0.178 0.000 2.175 588 M HA -0.183 4.309 4.480 0.020 0.000 0.264 588 M C 1.892 178.211 176.300 0.031 0.000 1.063 588 M CA 1.490 56.827 55.300 0.060 0.000 1.119 588 M CB -1.361 31.216 32.600 -0.038 0.000 1.377 588 M HN 0.128 nan 8.290 nan 0.000 0.415 589 Q N -0.224 119.590 119.800 0.023 0.000 2.050 589 Q HA -0.187 4.165 4.340 0.020 0.000 0.202 589 Q C 2.071 178.058 176.000 -0.022 0.000 0.980 589 Q CA 1.278 57.051 55.803 -0.051 0.000 0.840 589 Q CB -0.311 28.342 28.738 -0.141 0.000 0.898 589 Q HN 0.336 nan 8.270 nan 0.000 0.424 590 L N 0.247 121.462 121.223 -0.013 0.000 2.056 590 L HA 0.020 4.372 4.340 0.020 0.000 0.207 590 L C 2.067 178.836 176.870 -0.169 0.000 1.078 590 L CA 2.199 57.017 54.840 -0.037 0.000 0.749 590 L CB -0.983 41.026 42.059 -0.084 0.000 0.901 590 L HN 0.171 nan 8.230 nan 0.000 0.433 591 G N -0.856 107.866 108.800 -0.130 0.000 2.448 591 G HA2 -0.254 3.718 3.960 0.020 0.000 0.219 591 G HA3 -0.254 3.718 3.960 0.020 0.000 0.219 591 G C 1.590 176.494 174.900 0.006 0.000 1.127 591 G CA 0.686 45.729 45.100 -0.095 0.000 0.766 591 G HN 0.651 nan 8.290 nan 0.000 0.552 592 A N -0.023 122.732 122.820 -0.109 0.000 2.139 592 A HA 0.132 4.464 4.320 0.020 0.000 0.221 592 A C 1.568 178.760 177.584 -0.653 0.000 1.159 592 A CA 0.983 52.796 52.037 -0.374 0.000 0.662 592 A CB -0.390 18.276 19.000 -0.556 0.000 0.796 592 A HN 0.367 nan 8.150 nan 0.000 0.463 593 F N -2.854 117.184 119.950 0.148 0.000 2.683 593 F HA 0.324 4.864 4.527 0.022 0.000 0.306 593 F C -0.213 176.036 175.800 0.748 0.000 1.102 593 F CA -1.000 57.229 58.000 0.382 0.000 1.244 593 F CB 0.049 38.998 39.000 -0.085 0.000 1.029 593 F HN 0.033 nan 8.300 nan 0.000 0.545 594 Y N 2.238 122.890 120.300 0.587 0.000 2.346 594 Y HA 0.226 4.787 4.550 0.019 0.000 0.330 594 Y C -1.233 174.912 175.900 0.409 0.000 1.178 594 Y CA -3.142 55.230 58.100 0.454 0.000 1.331 594 Y CB 0.110 38.741 38.460 0.286 0.000 1.253 594 Y HN -0.148 nan 8.280 nan 0.000 0.529 595 P HA -0.174 nan 4.420 nan 0.000 0.217 595 P C -0.060 177.491 177.300 0.419 0.000 1.150 595 P CA 1.314 64.641 63.100 0.378 0.000 0.832 595 P CB 0.176 32.046 31.700 0.283 0.000 0.787 596 F N 0.604 120.686 119.950 0.220 0.000 2.361 596 F HA 0.519 5.057 4.527 0.019 0.000 0.364 596 F C -0.092 175.792 175.800 0.140 0.000 1.120 596 F CA -1.456 56.602 58.000 0.096 0.000 1.102 596 F CB 0.849 39.855 39.000 0.010 0.000 1.183 596 F HN -0.317 nan 8.300 nan 0.000 0.476 597 S N 7.843 123.361 115.700 -0.303 0.000 2.474 597 S HA 0.516 4.998 4.470 0.020 0.000 0.320 597 S C -0.655 173.653 174.600 -0.486 0.000 1.067 597 S CA -0.594 57.535 58.200 -0.118 0.000 1.127 597 S CB -0.067 63.290 63.200 0.262 0.000 0.971 597 S HN 0.854 nan 8.310 nan 0.000 0.472 598 R N 4.050 124.147 120.500 -0.671 0.000 2.538 598 R HA 0.331 4.683 4.340 0.020 0.000 0.292 598 R C -1.398 174.672 176.300 -0.383 0.000 1.008 598 R CA -0.638 55.000 56.100 -0.771 0.000 0.896 598 R CB 0.859 30.481 30.300 -1.130 0.000 1.187 598 R HN 0.569 nan 8.270 nan 0.000 0.440 599 N N 2.977 121.489 118.700 -0.313 0.000 2.414 599 N HA 0.114 4.866 4.740 0.020 0.000 0.256 599 N C -1.587 173.881 175.510 -0.069 0.000 1.029 599 N CA 0.057 53.054 53.050 -0.089 0.000 0.948 599 N CB 0.875 39.447 38.487 0.142 0.000 1.102 599 N HN 0.658 nan 8.380 nan 0.000 0.496 600 H N 2.254 121.239 119.070 -0.143 0.000 2.895 600 H HA 0.560 5.127 4.556 0.018 0.000 0.373 600 H C -1.448 173.927 175.328 0.079 0.000 1.174 600 H CA -0.708 55.313 56.048 -0.046 0.000 1.144 600 H CB 1.196 30.895 29.762 -0.106 0.000 1.793 600 H HN 0.569 nan 8.280 nan 0.000 0.551 601 N N 1.526 119.983 118.700 -0.405 0.000 2.277 601 N HA 0.432 5.184 4.740 0.020 0.000 0.286 601 N C -0.369 174.843 175.510 -0.496 0.000 1.140 601 N CA 0.038 52.903 53.050 -0.308 0.000 0.799 601 N CB 2.255 40.642 38.487 -0.167 0.000 1.596 601 N HN 0.880 nan 8.380 nan 0.000 0.473 602 G N 0.269 108.631 108.800 -0.731 0.000 2.621 602 G HA2 0.181 4.153 3.960 0.020 0.000 0.271 602 G HA3 0.181 4.153 3.960 0.020 0.000 0.271 602 G C -0.556 174.118 174.900 -0.376 0.000 1.236 602 G CA -0.316 44.245 45.100 -0.898 0.000 0.958 602 G HN 0.652 nan 8.290 nan 0.000 0.512 603 Q N -0.608 118.866 119.800 -0.543 0.000 2.313 603 Q HA 0.401 4.753 4.340 0.020 0.000 0.266 603 Q C 1.264 176.750 176.000 -0.857 0.000 0.989 603 Q CA 0.882 56.208 55.803 -0.795 0.000 0.890 603 Q CB 0.397 28.484 28.738 -1.085 0.000 1.200 603 Q HN 1.177 nan 8.270 nan 0.000 0.396 604 G N 2.763 111.179 108.800 -0.641 0.000 2.253 604 G HA2 -0.303 3.669 3.960 0.020 0.000 0.251 604 G HA3 -0.303 3.669 3.960 0.020 0.000 0.251 604 G C -0.565 174.021 174.900 -0.525 0.000 0.998 604 G CA 0.232 44.990 45.100 -0.570 0.000 0.621 604 G HN 0.638 nan 8.290 nan 0.000 0.524 605 Y N 1.365 121.544 120.300 -0.201 0.000 2.357 605 Y HA 0.458 5.020 4.550 0.020 0.000 0.340 605 Y C 1.174 176.987 175.900 -0.144 0.000 1.260 605 Y CA -0.234 57.770 58.100 -0.160 0.000 1.425 605 Y CB 0.469 38.824 38.460 -0.176 0.000 1.326 605 Y HN 0.308 nan 8.280 nan 0.000 0.580 606 K N 1.930 122.361 120.400 0.051 0.000 2.561 606 K HA -0.123 4.209 4.320 0.020 0.000 0.280 606 K C -0.768 175.798 176.600 -0.057 0.000 0.975 606 K CA -0.410 55.860 56.287 -0.029 0.000 1.024 606 K CB 0.250 32.733 32.500 -0.029 0.000 0.883 606 K HN 0.598 nan 8.250 nan 0.000 0.496 607 D N 2.772 123.111 120.400 -0.102 0.000 2.472 607 D HA -0.086 4.566 4.640 0.020 0.000 0.237 607 D C 0.541 176.755 176.300 -0.144 0.000 1.141 607 D CA 0.649 54.587 54.000 -0.103 0.000 0.875 607 D CB 0.873 41.612 40.800 -0.102 0.000 1.192 607 D HN 0.625 nan 8.370 nan 0.000 0.450 608 Q N 0.381 120.166 119.800 -0.024 0.000 2.086 608 Q HA 0.067 4.419 4.340 0.020 0.000 0.220 608 Q C -0.632 175.540 176.000 0.287 0.000 0.792 608 Q CA -0.604 55.286 55.803 0.144 0.000 1.062 608 Q CB 0.302 29.137 28.738 0.162 0.000 1.198 608 Q HN 0.465 nan 8.270 nan 0.000 0.466 609 D N 1.063 121.564 120.400 0.169 0.000 2.423 609 D HA 0.031 4.683 4.640 0.020 0.000 0.238 609 D C -1.802 174.662 176.300 0.275 0.000 1.142 609 D CA -1.175 52.937 54.000 0.188 0.000 0.884 609 D CB 1.450 42.331 40.800 0.134 0.000 1.199 609 D HN -0.136 nan 8.370 nan 0.000 0.438 610 P HA -0.175 nan 4.420 nan 0.000 0.215 610 P C 1.289 178.734 177.300 0.241 0.000 1.157 610 P CA 2.238 65.452 63.100 0.190 0.000 0.874 610 P CB -0.014 31.687 31.700 0.002 0.000 0.790 611 A N -0.323 122.581 122.820 0.141 0.000 2.168 611 A HA -0.096 4.236 4.320 0.020 0.000 0.215 611 A C 2.199 179.848 177.584 0.108 0.000 1.152 611 A CA 1.543 53.648 52.037 0.113 0.000 0.716 611 A CB -1.442 17.601 19.000 0.072 0.000 0.794 611 A HN 0.321 nan 8.150 nan 0.000 0.465 612 S N -1.184 114.572 115.700 0.094 0.000 2.515 612 S HA -0.025 4.457 4.470 0.020 0.000 0.231 612 S C 1.264 175.765 174.600 -0.166 0.000 0.987 612 S CA 0.715 58.878 58.200 -0.061 0.000 0.936 612 S CB -0.758 62.347 63.200 -0.158 0.000 0.766 612 S HN 0.419 nan 8.310 nan 0.000 0.528 613 F N 2.356 122.316 119.950 0.017 0.000 2.780 613 F HA 0.418 4.957 4.527 0.020 0.000 0.299 613 F C 1.507 177.317 175.800 0.016 0.000 1.146 613 F CA 0.507 58.518 58.000 0.018 0.000 1.428 613 F CB 0.017 39.029 39.000 0.019 0.000 1.115 613 F HN 0.497 nan 8.300 nan 0.000 0.583 614 G N -0.396 108.490 108.800 0.145 0.000 2.764 614 G HA2 0.209 4.181 3.960 0.020 0.000 0.678 614 G HA3 0.209 4.181 3.960 0.020 0.000 0.678 614 G C 0.334 175.281 174.900 0.078 0.000 1.341 614 G CA -0.707 44.447 45.100 0.089 0.000 0.836 614 G HN 0.213 nan 8.290 nan 0.000 0.632 615 A N 0.573 123.424 122.820 0.052 0.000 2.070 615 A HA 0.172 4.504 4.320 0.020 0.000 0.220 615 A C 1.421 179.025 177.584 0.034 0.000 1.159 615 A CA 2.223 54.284 52.037 0.041 0.000 0.656 615 A CB 0.019 19.038 19.000 0.030 0.000 0.800 615 A HN 0.582 nan 8.150 nan 0.000 0.453 616 D N -0.504 119.918 120.400 0.036 0.000 2.571 616 D HA 0.123 4.775 4.640 0.020 0.000 0.239 616 D C 0.136 176.455 176.300 0.032 0.000 1.267 616 D CA 0.381 54.397 54.000 0.026 0.000 0.823 616 D CB 0.335 41.146 40.800 0.019 0.000 1.056 616 D HN 0.457 nan 8.370 nan 0.000 0.494 617 S N 0.055 115.785 115.700 0.050 0.000 2.592 617 S HA 0.125 4.607 4.470 0.020 0.000 0.271 617 S C 1.335 175.954 174.600 0.032 0.000 1.326 617 S CA -0.656 57.580 58.200 0.059 0.000 1.024 617 S CB 1.974 65.242 63.200 0.114 0.000 0.921 617 S HN 0.022 nan 8.310 nan 0.000 0.527 618 L N 2.049 123.286 121.223 0.024 0.000 2.042 618 L HA -0.021 4.331 4.340 0.020 0.000 0.210 618 L C 2.148 179.010 176.870 -0.013 0.000 1.076 618 L CA 1.675 56.518 54.840 0.005 0.000 0.749 618 L CB -0.931 41.134 42.059 0.010 0.000 0.893 618 L HN 0.919 nan 8.230 nan 0.000 0.432 619 L N -1.564 119.634 121.223 -0.041 0.000 2.017 619 L HA -0.197 4.155 4.340 0.020 0.000 0.208 619 L C 2.397 179.220 176.870 -0.079 0.000 1.073 619 L CA 1.601 56.366 54.840 -0.124 0.000 0.745 619 L CB -0.290 41.552 42.059 -0.362 0.000 0.894 619 L HN 0.411 nan 8.230 nan 0.000 0.432 620 L N 0.239 121.449 121.223 -0.021 0.000 2.027 620 L HA -0.184 4.168 4.340 0.020 0.000 0.206 620 L C 2.220 179.080 176.870 -0.017 0.000 1.074 620 L CA 1.706 56.543 54.840 -0.005 0.000 0.745 620 L CB -0.931 41.152 42.059 0.040 0.000 0.898 620 L HN 0.298 nan 8.230 nan 0.000 0.433 621 N N -0.622 118.073 118.700 -0.008 0.000 2.069 621 N HA -0.215 4.537 4.740 0.020 0.000 0.191 621 N C 2.078 177.586 175.510 -0.004 0.000 1.031 621 N CA 1.678 54.720 53.050 -0.013 0.000 0.852 621 N CB -0.652 37.821 38.487 -0.023 0.000 1.018 621 N HN 0.460 nan 8.380 nan 0.000 0.423 622 S N 0.161 115.867 115.700 0.011 0.000 2.368 622 S HA -0.029 4.453 4.470 0.020 0.000 0.224 622 S C 2.054 176.730 174.600 0.128 0.000 1.029 622 S CA 1.231 59.481 58.200 0.084 0.000 0.988 622 S CB -0.232 63.043 63.200 0.125 0.000 0.838 622 S HN 0.278 nan 8.310 nan 0.000 0.462 623 S N 1.353 117.070 115.700 0.028 0.000 2.359 623 S HA -0.166 4.316 4.470 0.020 0.000 0.223 623 S C 1.936 176.484 174.600 -0.087 0.000 1.039 623 S CA 1.585 59.757 58.200 -0.047 0.000 1.042 623 S CB -0.509 62.606 63.200 -0.141 0.000 0.915 623 S HN 0.594 nan 8.310 nan 0.000 0.439 624 R N 0.382 120.834 120.500 -0.081 0.000 2.081 624 R HA -0.160 4.192 4.340 0.020 0.000 0.235 624 R C 2.405 178.654 176.300 -0.085 0.000 1.131 624 R CA 1.546 57.585 56.100 -0.102 0.000 0.960 624 R CB -0.465 29.797 30.300 -0.065 0.000 0.856 624 R HN 0.593 nan 8.270 nan 0.000 0.436 625 H N -0.680 118.294 119.070 -0.159 0.000 2.290 625 H HA -0.195 4.373 4.556 0.019 0.000 0.298 625 H C 1.441 176.596 175.328 -0.288 0.000 1.087 625 H CA 2.312 58.207 56.048 -0.255 0.000 1.291 625 H CB -0.178 29.356 29.762 -0.379 0.000 1.369 625 H HN 0.338 nan 8.280 nan 0.000 0.492 626 Y N 0.328 120.587 120.300 -0.067 0.000 2.337 626 Y HA -0.065 4.497 4.550 0.019 0.000 0.293 626 Y C 2.894 178.663 175.900 -0.219 0.000 1.123 626 Y CA 0.250 58.288 58.100 -0.103 0.000 1.201 626 Y CB 0.058 38.553 38.460 0.059 0.000 1.011 626 Y HN 0.107 nan 8.280 nan 0.000 0.545 627 L N -0.178 120.987 121.223 -0.097 0.000 2.131 627 L HA -0.243 4.109 4.340 0.020 0.000 0.210 627 L C 1.651 178.476 176.870 -0.075 0.000 1.092 627 L CA 1.451 56.211 54.840 -0.133 0.000 0.759 627 L CB -0.473 41.430 42.059 -0.261 0.000 0.903 627 L HN 0.335 nan 8.230 nan 0.000 0.435 628 N N -0.150 118.468 118.700 -0.137 0.000 2.270 628 N HA -0.109 4.643 4.740 0.020 0.000 0.181 628 N C 1.904 177.420 175.510 0.011 0.000 1.016 628 N CA 0.734 53.732 53.050 -0.087 0.000 0.870 628 N CB 0.071 38.484 38.487 -0.124 0.000 0.979 628 N HN 0.237 nan 8.380 nan 0.000 0.431 629 I N 0.874 121.406 120.570 -0.063 0.000 2.179 629 I HA -0.267 3.915 4.170 0.020 0.000 0.242 629 I C 2.598 178.772 176.117 0.096 0.000 1.088 629 I CA 0.872 62.176 61.300 0.005 0.000 1.357 629 I CB -0.225 37.747 38.000 -0.047 0.000 1.051 629 I HN 0.162 nan 8.210 nan 0.000 0.409 630 R N 0.449 120.971 120.500 0.037 0.000 2.094 630 R HA -0.257 4.095 4.340 0.020 0.000 0.239 630 R C 2.460 178.971 176.300 0.353 0.000 1.137 630 R CA 2.147 58.336 56.100 0.148 0.000 0.943 630 R CB -0.492 29.831 30.300 0.039 0.000 0.850 630 R HN 0.238 nan 8.270 nan 0.000 0.433 631 Y N 0.793 121.173 120.300 0.132 0.000 2.224 631 Y HA -0.135 4.427 4.550 0.019 0.000 0.289 631 Y C 2.645 178.680 175.900 0.225 0.000 1.146 631 Y CA 1.821 60.026 58.100 0.175 0.000 1.182 631 Y CB -0.626 37.911 38.460 0.130 0.000 0.983 631 Y HN 0.144 nan 8.280 nan 0.000 0.524 632 T N 0.184 114.946 114.554 0.348 0.000 2.759 632 T HA -0.175 4.187 4.350 0.020 0.000 0.269 632 T C 1.673 176.593 174.700 0.366 0.000 1.042 632 T CA 1.339 63.624 62.100 0.308 0.000 1.140 632 T CB -0.471 68.555 68.868 0.264 0.000 0.864 632 T HN 0.225 nan 8.240 nan 0.000 0.455 633 L N 0.620 122.092 121.223 0.415 0.000 2.629 633 L HA 0.276 4.628 4.340 0.020 0.000 0.230 633 L C 1.812 179.054 176.870 0.620 0.000 1.151 633 L CA -0.092 55.088 54.840 0.566 0.000 0.924 633 L CB -0.380 42.065 42.059 0.644 0.000 1.137 633 L HN 0.230 nan 8.230 nan 0.000 0.457 634 L N 0.420 121.907 121.223 0.441 0.000 2.079 634 L HA -0.167 4.185 4.340 0.020 0.000 0.210 634 L C -0.201 176.931 176.870 0.436 0.000 1.081 634 L CA 1.536 56.547 54.840 0.285 0.000 0.752 634 L CB -1.489 40.574 42.059 0.007 0.000 0.896 634 L HN 0.276 nan 8.230 nan 0.000 0.433 635 P HA -0.224 nan 4.420 nan 0.000 0.216 635 P C 1.275 179.009 177.300 0.723 0.000 1.150 635 P CA 1.276 64.849 63.100 0.789 0.000 0.837 635 P CB -0.052 32.067 31.700 0.700 0.000 0.786 636 Y N 0.525 121.155 120.300 0.549 0.000 2.133 636 Y HA -0.157 4.404 4.550 0.020 0.000 0.287 636 Y C 2.102 178.251 175.900 0.415 0.000 1.134 636 Y CA 1.183 59.596 58.100 0.523 0.000 1.133 636 Y CB -1.196 37.636 38.460 0.620 0.000 0.987 636 Y HN -0.223 nan 8.280 nan 0.000 0.502 637 L N -0.533 120.831 121.223 0.235 0.000 2.042 637 L HA -0.221 4.131 4.340 0.020 0.000 0.210 637 L C 2.190 179.146 176.870 0.144 0.000 1.076 637 L CA 1.992 56.761 54.840 -0.119 0.000 0.749 637 L CB -1.357 40.528 42.059 -0.291 0.000 0.893 637 L HN 0.395 nan 8.230 nan 0.000 0.432 638 Y N 0.007 120.388 120.300 0.135 0.000 2.242 638 Y HA -0.186 4.376 4.550 0.021 0.000 0.291 638 Y C 2.432 178.509 175.900 0.294 0.000 1.137 638 Y CA 1.994 60.216 58.100 0.203 0.000 1.181 638 Y CB -0.725 37.880 38.460 0.241 0.000 0.989 638 Y HN 0.219 nan 8.280 nan 0.000 0.527 639 T N 1.062 115.824 114.554 0.346 0.000 2.821 639 T HA -0.147 4.215 4.350 0.020 0.000 0.267 639 T C 2.110 176.861 174.700 0.086 0.000 1.046 639 T CA 1.519 63.783 62.100 0.275 0.000 1.139 639 T CB -0.440 68.675 68.868 0.412 0.000 0.871 639 T HN 0.283 nan 8.240 nan 0.000 0.454 640 L N -0.326 120.857 121.223 -0.066 0.000 2.046 640 L HA -0.063 4.289 4.340 0.020 0.000 0.208 640 L C 2.267 178.966 176.870 -0.284 0.000 1.077 640 L CA 1.439 56.136 54.840 -0.238 0.000 0.747 640 L CB -0.633 41.167 42.059 -0.431 0.000 0.896 640 L HN 0.219 nan 8.230 nan 0.000 0.432 641 F N -0.687 119.136 119.950 -0.212 0.000 2.171 641 F HA -0.253 4.287 4.527 0.021 0.000 0.300 641 F C 2.370 177.984 175.800 -0.310 0.000 1.090 641 F CA 1.507 59.366 58.000 -0.235 0.000 1.293 641 F CB -0.593 38.286 39.000 -0.201 0.000 1.013 641 F HN -0.011 nan 8.300 nan 0.000 0.486 642 F N 1.236 120.936 119.950 -0.416 0.000 2.095 642 F HA -0.213 4.326 4.527 0.020 0.000 0.298 642 F C 2.392 177.943 175.800 -0.414 0.000 1.104 642 F CA 1.594 59.175 58.000 -0.699 0.000 1.232 642 F CB -0.352 37.826 39.000 -1.369 0.000 0.987 642 F HN -0.256 nan 8.300 nan 0.000 0.475 643 R N 0.809 120.967 120.500 -0.569 0.000 2.092 643 R HA -0.015 4.337 4.340 0.020 0.000 0.231 643 R C 2.441 178.483 176.300 -0.430 0.000 1.119 643 R CA 1.124 56.881 56.100 -0.571 0.000 0.970 643 R CB -1.596 28.535 30.300 -0.281 0.000 0.864 643 R HN 0.456 nan 8.270 nan 0.000 0.440 644 A N 0.462 123.085 122.820 -0.329 0.000 1.877 644 A HA -0.234 4.098 4.320 0.020 0.000 0.216 644 A C 2.099 179.536 177.584 -0.244 0.000 1.186 644 A CA 1.936 53.816 52.037 -0.261 0.000 0.620 644 A CB -0.747 18.106 19.000 -0.245 0.000 0.822 644 A HN 0.453 nan 8.150 nan 0.000 0.443 645 H N 0.694 119.565 119.070 -0.332 0.000 2.353 645 H HA -0.088 4.480 4.556 0.021 0.000 0.300 645 H C 2.268 177.377 175.328 -0.365 0.000 1.090 645 H CA 2.408 58.268 56.048 -0.314 0.000 1.327 645 H CB -0.021 29.570 29.762 -0.284 0.000 1.383 645 H HN 0.525 nan 8.280 nan 0.000 0.508 646 S N -1.428 113.905 115.700 -0.613 0.000 2.483 646 S HA 0.080 4.562 4.470 0.020 0.000 0.221 646 S C 2.098 176.427 174.600 -0.453 0.000 1.030 646 S CA 0.384 58.207 58.200 -0.628 0.000 0.925 646 S CB 0.376 63.084 63.200 -0.820 0.000 0.795 646 S HN 0.443 nan 8.310 nan 0.000 0.511 647 R N 0.205 120.452 120.500 -0.421 0.000 2.412 647 R HA 0.359 4.711 4.340 0.020 0.000 0.212 647 R C 1.136 177.288 176.300 -0.246 0.000 0.878 647 R CA 0.836 56.761 56.100 -0.290 0.000 1.022 647 R CB 0.476 30.618 30.300 -0.264 0.000 1.265 647 R HN 0.532 nan 8.270 nan 0.000 0.620 648 G N 1.619 110.256 108.800 -0.271 0.000 2.144 648 G HA2 -0.202 3.770 3.960 0.020 0.000 0.218 648 G HA3 -0.202 3.770 3.960 0.020 0.000 0.218 648 G C -0.817 173.971 174.900 -0.187 0.000 0.988 648 G CA 0.121 45.077 45.100 -0.240 0.000 0.659 648 G HN 0.384 nan 8.290 nan 0.000 0.522 649 D N 1.545 121.837 120.400 -0.179 0.000 2.400 649 D HA 0.451 5.103 4.640 0.020 0.000 0.238 649 D C 1.483 177.701 176.300 -0.137 0.000 1.157 649 D CA 1.031 54.955 54.000 -0.126 0.000 0.889 649 D CB 0.622 41.347 40.800 -0.125 0.000 1.199 649 D HN 0.477 nan 8.370 nan 0.000 0.436 650 T N -2.061 112.445 114.554 -0.080 0.000 2.828 650 T HA 0.322 4.684 4.350 0.020 0.000 0.290 650 T C 0.952 175.541 174.700 -0.185 0.000 1.019 650 T CA -0.807 61.226 62.100 -0.113 0.000 1.031 650 T CB 0.901 69.731 68.868 -0.063 0.000 1.001 650 T HN 0.071 nan 8.240 nan 0.000 0.531 651 V N 0.569 120.326 119.914 -0.261 0.000 2.784 651 V HA 0.418 4.550 4.120 0.020 0.000 0.231 651 V C 1.643 177.632 176.094 -0.174 0.000 1.128 651 V CA 0.533 62.602 62.300 -0.385 0.000 1.178 651 V CB -0.847 30.485 31.823 -0.818 0.000 0.943 651 V HN 1.154 nan 8.190 nan 0.000 0.500 652 A N 1.696 124.470 122.820 -0.078 0.000 2.404 652 A HA 0.526 4.858 4.320 0.020 0.000 0.273 652 A C 0.190 177.809 177.584 0.058 0.000 1.144 652 A CA 0.276 52.409 52.037 0.159 0.000 0.806 652 A CB -0.201 18.857 19.000 0.098 0.000 1.080 652 A HN 0.461 nan 8.150 nan 0.000 0.509 653 R N 3.357 123.950 120.500 0.155 0.000 2.575 653 R HA 0.523 4.875 4.340 0.020 0.000 0.293 653 R C -3.134 173.157 176.300 -0.014 0.000 0.983 653 R CA -1.967 54.121 56.100 -0.019 0.000 0.887 653 R CB 2.034 32.367 30.300 0.055 0.000 1.184 653 R HN 0.388 nan 8.270 nan 0.000 0.445 654 P HA 0.033 nan 4.420 nan 0.000 0.271 654 P C 0.345 177.720 177.300 0.124 0.000 1.218 654 P CA -0.354 62.672 63.100 -0.123 0.000 0.780 654 P CB 0.654 32.208 31.700 -0.244 0.000 0.901 655 L N 2.653 124.020 121.223 0.240 0.000 2.081 655 L HA -0.207 4.145 4.340 0.020 0.000 0.212 655 L C 2.063 179.225 176.870 0.485 0.000 1.080 655 L CA 1.919 57.005 54.840 0.411 0.000 0.754 655 L CB -1.545 40.742 42.059 0.380 0.000 0.893 655 L HN 0.442 nan 8.230 nan 0.000 0.433 656 L N -3.540 117.938 121.223 0.426 0.000 2.265 656 L HA -0.148 4.204 4.340 0.020 0.000 0.215 656 L C 2.226 179.393 176.870 0.494 0.000 1.117 656 L CA 1.622 56.755 54.840 0.490 0.000 0.782 656 L CB -1.177 41.157 42.059 0.459 0.000 0.914 656 L HN 0.320 nan 8.230 nan 0.000 0.441 657 H N -0.358 118.843 119.070 0.219 0.000 2.462 657 H HA 0.023 4.591 4.556 0.020 0.000 0.292 657 H C 1.367 176.818 175.328 0.204 0.000 1.049 657 H CA 1.031 57.207 56.048 0.213 0.000 1.334 657 H CB 0.480 30.311 29.762 0.116 0.000 1.404 657 H HN 0.495 nan 8.280 nan 0.000 0.544 658 E N 0.143 120.417 120.200 0.125 0.000 2.307 658 E HA 0.017 4.379 4.350 0.020 0.000 0.195 658 E C 0.063 176.214 176.600 -0.748 0.000 0.975 658 E CA 0.331 56.510 56.400 -0.369 0.000 0.878 658 E CB 0.407 29.688 29.700 -0.699 0.000 0.845 658 E HN 0.339 nan 8.360 nan 0.000 0.488 659 F N 0.553 120.537 119.950 0.058 0.000 2.881 659 F HA 0.138 4.677 4.527 0.020 0.000 0.343 659 F C 0.857 176.709 175.800 0.087 0.000 1.233 659 F CA -0.879 57.130 58.000 0.014 0.000 1.262 659 F CB -0.449 38.662 39.000 0.185 0.000 0.980 659 F HN -0.037 nan 8.300 nan 0.000 0.506 660 Y N -0.977 119.563 120.300 0.400 0.000 2.333 660 Y HA -0.114 4.448 4.550 0.020 0.000 0.290 660 Y C 1.646 177.895 175.900 0.581 0.000 1.144 660 Y CA 0.885 59.274 58.100 0.481 0.000 1.228 660 Y CB -1.091 37.516 38.460 0.244 0.000 0.985 660 Y HN 0.213 nan 8.280 nan 0.000 0.542 661 E N 0.141 120.537 120.200 0.326 0.000 2.333 661 E HA -0.155 4.207 4.350 0.020 0.000 0.198 661 E C 0.051 176.804 176.600 0.255 0.000 1.007 661 E CA 0.949 57.551 56.400 0.336 0.000 0.845 661 E CB -0.072 29.739 29.700 0.185 0.000 0.766 661 E HN 0.364 nan 8.360 nan 0.000 0.507 662 D N 0.896 121.430 120.400 0.223 0.000 2.443 662 D HA -0.018 4.634 4.640 0.020 0.000 0.221 662 D C 0.783 176.902 176.300 -0.302 0.000 1.097 662 D CA -0.361 53.661 54.000 0.037 0.000 0.865 662 D CB 0.296 41.188 40.800 0.153 0.000 1.034 662 D HN -0.029 nan 8.370 nan 0.000 0.511 663 N N 1.947 120.198 118.700 -0.748 0.000 2.348 663 N HA -0.184 4.568 4.740 0.020 0.000 0.185 663 N C 0.797 175.775 175.510 -0.887 0.000 1.019 663 N CA 0.662 52.726 53.050 -1.644 0.000 0.880 663 N CB -0.197 37.344 38.487 -1.576 0.000 0.965 663 N HN 0.112 nan 8.380 nan 0.000 0.437 664 S N -0.395 114.968 115.700 -0.562 0.000 2.507 664 S HA -0.084 4.398 4.470 0.020 0.000 0.235 664 S C 1.707 175.960 174.600 -0.577 0.000 0.988 664 S CA 1.394 59.228 58.200 -0.611 0.000 0.944 664 S CB -0.503 62.139 63.200 -0.930 0.000 0.762 664 S HN 0.823 nan 8.310 nan 0.000 0.526 665 T N -2.464 111.918 114.554 -0.286 0.000 3.065 665 T HA 0.041 4.403 4.350 0.020 0.000 0.252 665 T C 1.118 176.012 174.700 0.324 0.000 1.099 665 T CA -0.156 61.977 62.100 0.054 0.000 1.063 665 T CB -0.287 68.757 68.868 0.293 0.000 0.948 665 T HN 0.386 nan 8.240 nan 0.000 0.506 666 W N 3.454 124.829 121.300 0.125 0.000 2.465 666 W HA 0.162 4.834 4.660 0.020 0.000 0.268 666 W C 1.099 177.789 176.519 0.285 0.000 1.242 666 W CA 0.658 58.142 57.345 0.231 0.000 1.248 666 W CB -0.472 29.111 29.460 0.206 0.000 1.118 666 W HN 0.595 nan 8.180 nan 0.000 0.587 667 D N -1.489 119.152 120.400 0.403 0.000 2.479 667 D HA 0.063 4.715 4.640 0.020 0.000 0.218 667 D C 0.076 176.621 176.300 0.407 0.000 1.177 667 D CA -0.025 54.200 54.000 0.375 0.000 0.830 667 D CB -0.724 40.230 40.800 0.258 0.000 1.014 667 D HN -0.244 nan 8.370 nan 0.000 0.503 668 V N 2.187 122.297 119.914 0.325 0.000 2.485 668 V HA 0.109 4.241 4.120 0.020 0.000 0.287 668 V C 0.750 177.039 176.094 0.324 0.000 1.022 668 V CA 0.434 62.882 62.300 0.246 0.000 1.067 668 V CB 0.059 31.976 31.823 0.156 0.000 0.967 668 V HN 0.529 nan 8.190 nan 0.000 0.479 669 H N 1.468 120.643 119.070 0.175 0.000 3.367 669 H HA 0.326 4.894 4.556 0.020 0.000 0.257 669 H C 0.987 176.403 175.328 0.147 0.000 1.201 669 H CA -0.283 55.866 56.048 0.169 0.000 1.102 669 H CB 0.238 30.141 29.762 0.234 0.000 1.656 669 H HN 0.496 nan 8.280 nan 0.000 0.662 670 Q N 0.537 120.214 119.800 -0.206 0.000 2.247 670 Q HA 0.255 4.607 4.340 0.020 0.000 0.211 670 Q C -0.322 175.678 176.000 0.001 0.000 0.861 670 Q CA 0.184 55.907 55.803 -0.133 0.000 0.949 670 Q CB 1.053 29.658 28.738 -0.221 0.000 1.115 670 Q HN 0.556 nan 8.270 nan 0.000 0.507 671 Q N -0.181 119.656 119.800 0.061 0.000 2.456 671 Q HA 0.587 4.939 4.340 0.020 0.000 0.283 671 Q C -1.201 174.944 176.000 0.242 0.000 1.084 671 Q CA -0.739 55.105 55.803 0.068 0.000 0.801 671 Q CB 2.232 30.949 28.738 -0.035 0.000 1.434 671 Q HN 0.078 nan 8.270 nan 0.000 0.419 672 F N -1.582 118.368 119.950 0.000 0.000 2.745 672 F HA 0.731 5.269 4.527 0.019 0.000 0.316 672 F C -2.055 173.800 175.800 0.092 0.000 1.155 672 F CA -1.329 56.699 58.000 0.047 0.000 0.937 672 F CB 1.028 40.061 39.000 0.056 0.000 1.361 672 F HN 0.315 nan 8.300 nan 0.000 0.472 673 L N 0.953 122.317 121.223 0.235 0.000 2.330 673 L HA 0.410 4.762 4.340 0.020 0.000 0.271 673 L C -1.371 175.774 176.870 0.458 0.000 1.013 673 L CA -0.710 54.260 54.840 0.217 0.000 0.816 673 L CB 1.428 43.665 42.059 0.297 0.000 1.287 673 L HN 0.555 nan 8.230 nan 0.000 0.435 674 W N 2.364 123.768 121.300 0.172 0.000 2.387 674 W HA 0.514 5.185 4.660 0.019 0.000 0.310 674 W C 0.928 177.598 176.519 0.252 0.000 1.181 674 W CA 0.131 57.626 57.345 0.251 0.000 1.333 674 W CB 0.148 29.824 29.460 0.360 0.000 1.286 674 W HN 0.808 nan 8.180 nan 0.000 0.455 675 G N 5.669 114.621 108.800 0.254 0.000 2.574 675 G HA2 -0.293 3.679 3.960 0.020 0.000 0.282 675 G HA3 -0.293 3.679 3.960 0.020 0.000 0.282 675 G C -1.325 173.697 174.900 0.204 0.000 1.257 675 G CA 0.238 45.430 45.100 0.154 0.000 0.956 675 G HN 0.353 nan 8.290 nan 0.000 0.560 676 P HA 0.153 nan 4.420 nan 0.000 0.240 676 P C 1.293 178.511 177.300 -0.138 0.000 1.190 676 P CA 2.033 65.089 63.100 -0.073 0.000 0.781 676 P CB 0.180 31.734 31.700 -0.243 0.000 0.931 677 G N -0.660 108.233 108.800 0.155 0.000 2.759 677 G HA2 0.211 4.183 3.960 0.020 0.000 0.208 677 G HA3 0.211 4.183 3.960 0.020 0.000 0.208 677 G C -0.088 175.175 174.900 0.605 0.000 1.076 677 G CA 0.159 45.419 45.100 0.267 0.000 0.789 677 G HN 0.196 nan 8.290 nan 0.000 0.546 678 L N 1.572 123.124 121.223 0.550 0.000 2.298 678 L HA 0.738 5.090 4.340 0.020 0.000 0.284 678 L C -1.118 175.842 176.870 0.150 0.000 1.013 678 L CA -1.116 53.895 54.840 0.285 0.000 0.824 678 L CB 1.765 43.921 42.059 0.162 0.000 1.221 678 L HN -0.053 nan 8.230 nan 0.000 0.418 679 L N 6.592 127.857 121.223 0.071 0.000 2.264 679 L HA 0.601 4.953 4.340 0.020 0.000 0.289 679 L C -0.923 175.729 176.870 -0.363 0.000 1.044 679 L CA 0.142 54.883 54.840 -0.166 0.000 0.807 679 L CB 0.941 42.730 42.059 -0.449 0.000 1.192 679 L HN 0.583 nan 8.230 nan 0.000 0.425 680 I N 4.439 124.685 120.570 -0.539 0.000 2.339 680 I HA 0.393 4.575 4.170 0.020 0.000 0.290 680 I C -0.184 175.651 176.117 -0.470 0.000 0.994 680 I CA 0.029 60.913 61.300 -0.693 0.000 1.191 680 I CB 1.732 39.064 38.000 -1.113 0.000 1.343 680 I HN 0.551 nan 8.210 nan 0.000 0.458 681 T N 7.066 121.407 114.554 -0.355 0.000 3.150 681 T HA 0.342 4.704 4.350 0.020 0.000 0.383 681 T C -2.573 172.010 174.700 -0.194 0.000 1.313 681 T CA -1.206 60.757 62.100 -0.229 0.000 1.235 681 T CB 0.675 69.427 68.868 -0.193 0.000 1.088 681 T HN 0.300 nan 8.240 nan 0.000 0.556 682 P HA 0.343 nan 4.420 nan 0.000 0.281 682 P C -0.307 176.949 177.300 -0.072 0.000 1.249 682 P CA -0.467 62.565 63.100 -0.114 0.000 0.810 682 P CB 1.095 32.756 31.700 -0.064 0.000 1.008 683 V N 3.816 123.702 119.914 -0.046 0.000 2.488 683 V HA 0.068 4.200 4.120 0.020 0.000 0.277 683 V C 1.374 177.507 176.094 0.065 0.000 1.046 683 V CA 0.355 62.652 62.300 -0.004 0.000 0.986 683 V CB 0.193 32.024 31.823 0.014 0.000 0.989 683 V HN 0.443 nan 8.190 nan 0.000 0.475 684 L N 3.618 124.877 121.223 0.059 0.000 3.069 684 L HA 0.454 4.806 4.340 0.020 0.000 0.271 684 L C -0.147 176.826 176.870 0.172 0.000 1.201 684 L CA 0.132 55.049 54.840 0.128 0.000 1.015 684 L CB 0.466 42.539 42.059 0.024 0.000 1.371 684 L HN 0.567 nan 8.230 nan 0.000 0.574 685 D N 1.101 121.472 120.400 -0.048 0.000 2.649 685 D HA 0.137 4.789 4.640 0.020 0.000 0.249 685 D C -0.597 175.157 176.300 -0.910 0.000 1.112 685 D CA -0.326 53.443 54.000 -0.385 0.000 0.850 685 D CB 2.507 43.160 40.800 -0.245 0.000 1.399 685 D HN 0.017 nan 8.370 nan 0.000 0.503 686 E N 0.403 119.644 120.200 -1.598 0.000 2.480 686 E HA 0.191 4.553 4.350 0.020 0.000 0.258 686 E C 1.021 177.214 176.600 -0.678 0.000 0.984 686 E CA 0.688 56.093 56.400 -1.658 0.000 0.930 686 E CB 0.299 29.109 29.700 -1.484 0.000 0.936 686 E HN 0.757 nan 8.360 nan 0.000 0.466 687 G N 2.608 111.160 108.800 -0.412 0.000 2.225 687 G HA2 -0.331 3.641 3.960 0.020 0.000 0.254 687 G HA3 -0.331 3.641 3.960 0.020 0.000 0.254 687 G C 0.260 175.069 174.900 -0.152 0.000 0.988 687 G CA 0.099 45.079 45.100 -0.200 0.000 0.625 687 G HN 0.869 nan 8.290 nan 0.000 0.527 688 A N 0.132 122.837 122.820 -0.191 0.000 2.401 688 A HA 0.673 5.005 4.320 0.020 0.000 0.259 688 A C 0.682 178.228 177.584 -0.063 0.000 1.103 688 A CA 0.556 52.519 52.037 -0.123 0.000 0.789 688 A CB 0.347 19.263 19.000 -0.140 0.000 1.035 688 A HN 0.403 nan 8.150 nan 0.000 0.491 689 E N 0.853 121.024 120.200 -0.047 0.000 2.789 689 E HA 0.172 4.534 4.350 0.020 0.000 0.208 689 E C -0.799 175.786 176.600 -0.025 0.000 0.988 689 E CA 0.090 56.476 56.400 -0.023 0.000 1.092 689 E CB 0.442 30.134 29.700 -0.013 0.000 1.066 689 E HN 0.629 nan 8.360 nan 0.000 0.465 690 K N 0.165 120.540 120.400 -0.043 0.000 2.556 690 K HA 0.536 4.868 4.320 0.020 0.000 0.274 690 K C -1.727 174.830 176.600 -0.072 0.000 0.966 690 K CA -0.726 55.530 56.287 -0.052 0.000 0.865 690 K CB 3.151 35.617 32.500 -0.056 0.000 1.444 690 K HN -0.130 nan 8.250 nan 0.000 0.433 691 V N 2.863 122.721 119.914 -0.092 0.000 2.733 691 V HA 0.385 4.517 4.120 0.020 0.000 0.306 691 V C -1.300 174.707 176.094 -0.145 0.000 1.084 691 V CA -0.831 61.403 62.300 -0.109 0.000 0.905 691 V CB 1.954 33.714 31.823 -0.105 0.000 1.010 691 V HN 0.684 nan 8.190 nan 0.000 0.424 692 M N 5.288 124.810 119.600 -0.131 0.000 2.251 692 M HA 0.535 5.027 4.480 0.020 0.000 0.346 692 M C 0.165 176.371 176.300 -0.156 0.000 1.499 692 M CA 0.527 55.741 55.300 -0.144 0.000 1.128 692 M CB 0.247 32.785 32.600 -0.103 0.000 1.809 692 M HN 0.842 nan 8.290 nan 0.000 0.464 693 A N 4.489 127.180 122.820 -0.215 0.000 2.469 693 A HA 0.690 5.022 4.320 0.020 0.000 0.299 693 A C -1.839 175.631 177.584 -0.191 0.000 1.098 693 A CA -0.648 51.260 52.037 -0.215 0.000 0.737 693 A CB 1.412 20.228 19.000 -0.306 0.000 1.312 693 A HN 0.659 nan 8.150 nan 0.000 0.414 694 Y N 1.097 121.234 120.300 -0.272 0.000 2.328 694 Y HA 0.521 5.082 4.550 0.020 0.000 0.337 694 Y C -0.526 175.156 175.900 -0.363 0.000 1.008 694 Y CA -0.469 57.469 58.100 -0.269 0.000 1.129 694 Y CB 1.556 39.913 38.460 -0.171 0.000 1.185 694 Y HN 0.390 nan 8.280 nan 0.000 0.476 695 V N 9.625 128.948 119.914 -0.984 0.000 2.318 695 V HA 0.312 4.444 4.120 0.020 0.000 0.271 695 V C -2.147 173.405 176.094 -0.904 0.000 1.030 695 V CA -2.053 59.723 62.300 -0.873 0.000 0.844 695 V CB 0.757 32.229 31.823 -0.585 0.000 1.015 695 V HN 0.725 nan 8.190 nan 0.000 0.460 696 P HA 0.036 nan 4.420 nan 0.000 0.272 696 P C -0.165 177.036 177.300 -0.164 0.000 1.254 696 P CA -0.314 62.503 63.100 -0.473 0.000 0.795 696 P CB 0.486 31.516 31.700 -1.115 0.000 1.022 697 D N 0.099 120.396 120.400 -0.172 0.000 2.600 697 D HA 0.336 4.988 4.640 0.020 0.000 0.226 697 D C -0.653 175.685 176.300 0.063 0.000 1.119 697 D CA 0.326 54.337 54.000 0.017 0.000 1.051 697 D CB -1.220 39.641 40.800 0.101 0.000 1.106 697 D HN 0.304 nan 8.370 nan 0.000 0.491 698 A N 1.237 124.046 122.820 -0.017 0.000 2.593 698 A HA 0.567 4.899 4.320 0.020 0.000 0.290 698 A C -0.853 176.508 177.584 -0.371 0.000 1.126 698 A CA -0.730 51.170 52.037 -0.228 0.000 0.695 698 A CB 1.155 19.839 19.000 -0.527 0.000 1.290 698 A HN 0.051 nan 8.150 nan 0.000 0.414 699 V N 0.389 120.081 119.914 -0.370 0.000 2.572 699 V HA 0.242 4.374 4.120 0.020 0.000 0.291 699 V C -0.762 174.955 176.094 -0.629 0.000 1.039 699 V CA 0.738 62.809 62.300 -0.382 0.000 1.055 699 V CB -0.098 31.557 31.823 -0.280 0.000 0.969 699 V HN 0.708 nan 8.190 nan 0.000 0.482 700 W N 3.910 125.033 121.300 -0.294 0.000 2.819 700 W HA 0.665 5.337 4.660 0.020 0.000 0.337 700 W C -1.020 175.300 176.519 -0.332 0.000 1.077 700 W CA -0.601 56.633 57.345 -0.185 0.000 1.226 700 W CB 1.451 30.861 29.460 -0.084 0.000 1.419 700 W HN 0.416 nan 8.180 nan 0.000 0.502 701 Y N 1.350 121.875 120.300 0.375 0.000 2.376 701 Y HA 0.156 4.718 4.550 0.020 0.000 0.340 701 Y C 0.441 176.483 175.900 0.236 0.000 0.965 701 Y CA -1.277 56.956 58.100 0.223 0.000 1.078 701 Y CB 1.173 39.695 38.460 0.103 0.000 1.193 701 Y HN 0.305 nan 8.280 nan 0.000 0.452 702 D N 2.251 122.829 120.400 0.297 0.000 2.520 702 D HA -0.174 4.478 4.640 0.020 0.000 0.243 702 D C 0.672 176.973 176.300 0.001 0.000 1.160 702 D CA 0.612 54.639 54.000 0.044 0.000 0.877 702 D CB 0.574 41.389 40.800 0.025 0.000 1.150 702 D HN 0.790 nan 8.370 nan 0.000 0.494 703 Y N 4.626 124.819 120.300 -0.178 0.000 2.128 703 Y HA -0.194 4.368 4.550 0.020 0.000 0.284 703 Y C 1.938 177.781 175.900 -0.094 0.000 1.154 703 Y CA 1.729 59.741 58.100 -0.146 0.000 1.149 703 Y CB 0.262 38.601 38.460 -0.200 0.000 0.976 703 Y HN 0.535 nan 8.280 nan 0.000 0.505 704 E N -1.127 119.049 120.200 -0.039 0.000 2.076 704 E HA -0.124 4.238 4.350 0.020 0.000 0.190 704 E C 2.143 178.668 176.600 -0.126 0.000 0.979 704 E CA 1.655 58.015 56.400 -0.066 0.000 0.807 704 E CB -0.131 29.627 29.700 0.096 0.000 0.761 704 E HN 0.622 nan 8.360 nan 0.000 0.454 705 T N -3.080 111.423 114.554 -0.085 0.000 3.035 705 T HA 0.153 4.514 4.350 0.020 0.000 0.259 705 T C 1.672 176.311 174.700 -0.100 0.000 1.078 705 T CA 0.774 62.825 62.100 -0.082 0.000 1.132 705 T CB 0.397 69.235 68.868 -0.049 0.000 0.900 705 T HN 0.277 nan 8.240 nan 0.000 0.480 706 G N 1.735 110.478 108.800 -0.095 0.000 2.162 706 G HA2 -0.288 3.684 3.960 0.020 0.000 0.260 706 G HA3 -0.288 3.684 3.960 0.020 0.000 0.260 706 G C 0.276 175.212 174.900 0.060 0.000 0.976 706 G CA 0.433 45.490 45.100 -0.072 0.000 0.655 706 G HN 1.376 nan 8.290 nan 0.000 0.533 707 S N -0.374 115.362 115.700 0.060 0.000 2.549 707 S HA 0.506 4.988 4.470 0.020 0.000 0.279 707 S C 0.259 174.953 174.600 0.156 0.000 1.321 707 S CA 0.099 58.347 58.200 0.080 0.000 1.054 707 S CB 1.771 64.966 63.200 -0.009 0.000 0.899 707 S HN 0.625 nan 8.310 nan 0.000 0.497 708 Q N 2.204 122.092 119.800 0.146 0.000 2.297 708 Q HA 0.305 4.657 4.340 0.020 0.000 0.267 708 Q C 0.180 176.086 176.000 -0.156 0.000 1.006 708 Q CA -0.721 55.040 55.803 -0.070 0.000 0.896 708 Q CB 0.627 29.292 28.738 -0.121 0.000 1.186 708 Q HN 0.798 nan 8.270 nan 0.000 0.392 709 V N 2.776 122.568 119.914 -0.203 0.000 3.051 709 V HA 0.203 4.335 4.120 0.020 0.000 0.306 709 V C 0.785 176.659 176.094 -0.366 0.000 1.083 709 V CA -0.444 61.618 62.300 -0.397 0.000 1.104 709 V CB 1.362 32.865 31.823 -0.533 0.000 1.027 709 V HN 0.843 nan 8.190 nan 0.000 0.483 710 R N 1.403 121.589 120.500 -0.523 0.000 2.246 710 R HA 0.149 4.501 4.340 0.020 0.000 0.199 710 R C 0.420 176.628 176.300 -0.153 0.000 0.984 710 R CA 0.118 56.040 56.100 -0.296 0.000 1.015 710 R CB -0.167 29.984 30.300 -0.247 0.000 0.930 710 R HN 0.841 nan 8.270 nan 0.000 0.475 711 W N 2.135 123.382 121.300 -0.088 0.000 2.210 711 W HA 0.246 4.917 4.660 0.019 0.000 0.330 711 W C 0.656 177.120 176.519 -0.091 0.000 1.334 711 W CA -0.438 56.834 57.345 -0.121 0.000 1.227 711 W CB -0.089 29.252 29.460 -0.199 0.000 1.178 711 W HN -0.103 nan 8.180 nan 0.000 0.560 712 R N 2.530 123.101 120.500 0.119 0.000 2.515 712 R HA 0.133 4.485 4.340 0.020 0.000 0.278 712 R C -0.103 176.172 176.300 -0.043 0.000 1.107 712 R CA -0.891 55.240 56.100 0.052 0.000 0.945 712 R CB 0.939 31.267 30.300 0.046 0.000 1.219 712 R HN 0.551 nan 8.270 nan 0.000 0.434 713 K N 3.160 123.480 120.400 -0.134 0.000 3.419 713 K HA -0.248 4.084 4.320 0.020 0.000 0.272 713 K C -1.609 174.876 176.600 -0.190 0.000 0.973 713 K CA 1.759 57.946 56.287 -0.166 0.000 0.749 713 K CB -0.727 31.774 32.500 0.002 0.000 1.403 713 K HN 0.796 nan 8.250 nan 0.000 0.456 714 Q N -0.378 119.114 119.800 -0.515 0.000 2.594 714 Q HA 0.347 4.699 4.340 0.020 0.000 0.278 714 Q C -1.548 174.220 176.000 -0.387 0.000 0.961 714 Q CA -1.395 54.253 55.803 -0.257 0.000 0.844 714 Q CB 0.893 29.554 28.738 -0.129 0.000 1.475 714 Q HN 0.082 nan 8.270 nan 0.000 0.389 715 K N 1.033 121.396 120.400 -0.061 0.000 2.298 715 K HA 0.511 4.843 4.320 0.020 0.000 0.280 715 K C -0.230 176.207 176.600 -0.271 0.000 1.032 715 K CA -0.248 55.994 56.287 -0.074 0.000 0.958 715 K CB 1.429 33.943 32.500 0.022 0.000 0.978 715 K HN 0.498 nan 8.250 nan 0.000 0.472 716 V N -0.974 118.688 119.914 -0.420 0.000 3.040 716 V HA 0.418 4.550 4.120 0.020 0.000 0.312 716 V C -0.872 174.951 176.094 -0.453 0.000 1.115 716 V CA -0.994 60.948 62.300 -0.596 0.000 0.998 716 V CB 1.942 32.972 31.823 -1.322 0.000 1.042 716 V HN 0.817 nan 8.190 nan 0.000 0.433 717 E N 2.624 122.605 120.200 -0.364 0.000 2.014 717 E HA 0.402 4.764 4.350 0.020 0.000 0.275 717 E C -0.704 175.743 176.600 -0.256 0.000 0.997 717 E CA -0.504 55.749 56.400 -0.244 0.000 0.804 717 E CB 1.096 30.717 29.700 -0.131 0.000 1.090 717 E HN 0.807 nan 8.360 nan 0.000 0.401 718 M N 3.944 123.374 119.600 -0.283 0.000 2.146 718 M HA 0.128 4.620 4.480 0.020 0.000 0.357 718 M C -0.435 175.844 176.300 -0.036 0.000 1.261 718 M CA -0.337 54.850 55.300 -0.189 0.000 1.106 718 M CB 0.705 33.167 32.600 -0.230 0.000 1.612 718 M HN 0.323 nan 8.290 nan 0.000 0.470 719 E N 6.853 127.091 120.200 0.063 0.000 2.129 719 E HA 0.244 4.606 4.350 0.020 0.000 0.283 719 E C -1.133 175.495 176.600 0.046 0.000 1.080 719 E CA 0.053 56.482 56.400 0.047 0.000 0.867 719 E CB 0.492 30.234 29.700 0.070 0.000 1.056 719 E HN 0.660 nan 8.360 nan 0.000 0.404 720 L N 5.653 126.885 121.223 0.016 0.000 2.462 720 L HA 0.290 4.642 4.340 0.020 0.000 0.255 720 L C -2.398 174.481 176.870 0.014 0.000 1.076 720 L CA -1.985 52.864 54.840 0.016 0.000 0.920 720 L CB 1.469 43.523 42.059 -0.008 0.000 1.214 720 L HN 0.132 nan 8.230 nan 0.000 0.472 721 P HA 0.044 nan 4.420 nan 0.000 0.272 721 P C 1.148 178.466 177.300 0.030 0.000 1.254 721 P CA -0.129 62.983 63.100 0.020 0.000 0.795 721 P CB 0.741 32.452 31.700 0.018 0.000 1.022 722 G N 0.820 109.638 108.800 0.030 0.000 2.499 722 G HA2 -0.239 3.733 3.960 0.020 0.000 0.221 722 G HA3 -0.239 3.733 3.960 0.020 0.000 0.221 722 G C 0.678 175.610 174.900 0.054 0.000 1.109 722 G CA 0.858 45.983 45.100 0.042 0.000 0.749 722 G HN 0.640 nan 8.290 nan 0.000 0.568 723 D N -0.921 119.512 120.400 0.055 0.000 2.340 723 D HA 0.114 4.766 4.640 0.020 0.000 0.217 723 D C 0.463 176.877 176.300 0.191 0.000 1.081 723 D CA 0.101 54.151 54.000 0.084 0.000 0.842 723 D CB 0.314 41.121 40.800 0.013 0.000 0.934 723 D HN -0.011 nan 8.370 nan 0.000 0.511 724 K N 0.581 121.072 120.400 0.152 0.000 2.375 724 K HA 0.545 4.877 4.320 0.020 0.000 0.249 724 K C -0.751 175.844 176.600 -0.008 0.000 0.942 724 K CA -0.859 55.535 56.287 0.179 0.000 0.806 724 K CB 2.957 35.524 32.500 0.111 0.000 1.227 724 K HN 0.106 nan 8.250 nan 0.000 0.430 725 I N -0.565 119.888 120.570 -0.196 0.000 2.646 725 I HA 0.462 4.644 4.170 0.020 0.000 0.299 725 I C -0.047 175.918 176.117 -0.254 0.000 1.036 725 I CA -0.619 60.486 61.300 -0.325 0.000 1.074 725 I CB 1.992 39.647 38.000 -0.576 0.000 1.258 725 I HN 0.633 nan 8.210 nan 0.000 0.430 726 G N 7.350 116.024 108.800 -0.211 0.000 2.361 726 G HA2 0.486 4.458 3.960 0.020 0.000 0.260 726 G HA3 0.486 4.458 3.960 0.020 0.000 0.260 726 G C -1.004 173.703 174.900 -0.322 0.000 1.261 726 G CA -0.307 44.700 45.100 -0.156 0.000 0.897 726 G HN 0.536 nan 8.290 nan 0.000 0.499 727 L N 2.811 123.780 121.223 -0.423 0.000 2.441 727 L HA 0.395 4.747 4.340 0.020 0.000 0.270 727 L C -0.938 175.610 176.870 -0.537 0.000 0.973 727 L CA -0.835 53.715 54.840 -0.484 0.000 0.842 727 L CB 2.156 43.912 42.059 -0.505 0.000 1.239 727 L HN 0.603 nan 8.230 nan 0.000 0.406 728 H N 2.896 121.907 119.070 -0.100 0.000 2.637 728 H HA 0.597 5.165 4.556 0.020 0.000 0.363 728 H C -0.886 174.609 175.328 0.280 0.000 1.131 728 H CA -0.512 55.604 56.048 0.113 0.000 1.183 728 H CB 2.275 32.081 29.762 0.073 0.000 1.637 728 H HN 0.359 nan 8.280 nan 0.000 0.531 729 L N 2.274 123.765 121.223 0.447 0.000 2.295 729 L HA 0.447 4.799 4.340 0.020 0.000 0.285 729 L C 0.431 177.636 176.870 0.558 0.000 1.035 729 L CA -0.669 54.379 54.840 0.348 0.000 0.806 729 L CB 1.295 43.361 42.059 0.013 0.000 1.214 729 L HN 0.427 nan 8.230 nan 0.000 0.426 730 R N 1.859 122.636 120.500 0.461 0.000 2.347 730 R HA 0.267 4.619 4.340 0.020 0.000 0.304 730 R C 0.271 176.760 176.300 0.315 0.000 1.072 730 R CA -0.323 55.768 56.100 -0.016 0.000 0.980 730 R CB 0.901 31.118 30.300 -0.138 0.000 0.986 730 R HN 0.814 nan 8.270 nan 0.000 0.448 731 G N 1.680 110.554 108.800 0.123 0.000 2.305 731 G HA2 0.328 4.300 3.960 0.020 0.000 0.243 731 G HA3 0.328 4.300 3.960 0.020 0.000 0.243 731 G C 0.818 175.841 174.900 0.204 0.000 1.288 731 G CA 0.311 45.576 45.100 0.274 0.000 0.901 731 G HN 0.938 nan 8.290 nan 0.000 0.516 732 G N 0.625 109.499 108.800 0.123 0.000 2.184 732 G HA2 -0.194 3.778 3.960 0.020 0.000 0.206 732 G HA3 -0.194 3.778 3.960 0.020 0.000 0.206 732 G C -0.014 174.567 174.900 -0.531 0.000 0.995 732 G CA 0.185 45.177 45.100 -0.179 0.000 0.651 732 G HN 0.802 nan 8.290 nan 0.000 0.511 733 Y N -0.210 120.110 120.300 0.033 0.000 2.485 733 Y HA 0.765 5.327 4.550 0.020 0.000 0.345 733 Y C 0.492 176.254 175.900 -0.230 0.000 0.998 733 Y CA -1.160 56.842 58.100 -0.163 0.000 1.059 733 Y CB 1.696 39.949 38.460 -0.345 0.000 1.234 733 Y HN 0.075 nan 8.280 nan 0.000 0.461 734 I N 3.378 123.831 120.570 -0.194 0.000 2.436 734 I HA 0.357 4.539 4.170 0.020 0.000 0.289 734 I C -1.403 174.603 176.117 -0.185 0.000 1.010 734 I CA -0.575 60.678 61.300 -0.079 0.000 1.098 734 I CB 1.214 39.233 38.000 0.032 0.000 1.266 734 I HN 0.405 nan 8.210 nan 0.000 0.434 735 F N 7.244 127.227 119.950 0.054 0.000 2.402 735 F HA 0.440 4.979 4.527 0.020 0.000 0.355 735 F C -2.171 173.702 175.800 0.123 0.000 1.123 735 F CA -2.432 55.597 58.000 0.049 0.000 1.021 735 F CB 1.418 40.355 39.000 -0.105 0.000 1.160 735 F HN 0.203 nan 8.300 nan 0.000 0.451 736 P HA 0.231 nan 4.420 nan 0.000 0.279 736 P C -0.555 177.024 177.300 0.466 0.000 1.239 736 P CA -0.185 63.180 63.100 0.442 0.000 0.789 736 P CB 1.692 33.770 31.700 0.630 0.000 0.933 737 T N -0.429 114.347 114.554 0.370 0.000 2.883 737 T HA 0.593 4.955 4.350 0.020 0.000 0.296 737 T C -1.114 173.735 174.700 0.250 0.000 1.117 737 T CA -0.765 61.532 62.100 0.328 0.000 1.006 737 T CB 2.037 71.062 68.868 0.262 0.000 1.191 737 T HN 0.486 nan 8.240 nan 0.000 0.508 738 Q N 0.685 120.629 119.800 0.240 0.000 2.284 738 Q HA 0.308 4.660 4.340 0.020 0.000 0.269 738 Q C -1.030 175.074 176.000 0.173 0.000 1.026 738 Q CA -0.590 55.313 55.803 0.167 0.000 0.831 738 Q CB 2.251 31.106 28.738 0.196 0.000 1.322 738 Q HN 0.857 nan 8.270 nan 0.000 0.419 739 Q N 5.048 124.917 119.800 0.115 0.000 2.308 739 Q HA 0.049 4.401 4.340 0.020 0.000 0.313 739 Q C -2.029 174.057 176.000 0.145 0.000 1.075 739 Q CA -0.712 55.155 55.803 0.107 0.000 0.995 739 Q CB 0.578 29.354 28.738 0.063 0.000 1.107 739 Q HN 0.373 nan 8.270 nan 0.000 0.380 740 P HA 0.164 nan 4.420 nan 0.000 0.276 740 P C -0.982 176.399 177.300 0.136 0.000 1.244 740 P CA -0.288 62.933 63.100 0.201 0.000 0.801 740 P CB 1.028 32.831 31.700 0.172 0.000 1.006 741 N N -0.942 117.856 118.700 0.164 0.000 2.853 741 N HA 0.182 4.934 4.740 0.020 0.000 0.258 741 N C 0.817 176.350 175.510 0.038 0.000 1.444 741 N CA -0.364 52.738 53.050 0.086 0.000 0.837 741 N CB 0.833 39.381 38.487 0.101 0.000 1.489 741 N HN 0.315 nan 8.380 nan 0.000 0.529 742 T N -3.029 111.525 114.554 -0.000 0.000 3.072 742 T HA 0.074 4.436 4.350 0.020 0.000 0.266 742 T C 0.809 175.535 174.700 0.044 0.000 1.127 742 T CA 1.197 63.266 62.100 -0.052 0.000 1.107 742 T CB -0.604 68.255 68.868 -0.015 0.000 0.910 742 T HN 0.627 nan 8.240 nan 0.000 0.513 743 T N -1.505 113.136 114.554 0.147 0.000 2.903 743 T HA 0.507 4.869 4.350 0.020 0.000 0.299 743 T C 1.066 175.947 174.700 0.301 0.000 1.093 743 T CA -0.104 62.132 62.100 0.226 0.000 1.002 743 T CB 1.851 70.760 68.868 0.068 0.000 1.127 743 T HN 0.103 nan 8.240 nan 0.000 0.488 744 T N 0.089 114.820 114.554 0.295 0.000 3.023 744 T HA -0.037 4.325 4.350 0.020 0.000 0.266 744 T C 1.898 176.690 174.700 0.153 0.000 1.093 744 T CA 0.667 62.926 62.100 0.264 0.000 1.129 744 T CB -0.462 68.584 68.868 0.297 0.000 0.899 744 T HN 0.414 nan 8.240 nan 0.000 0.491 745 L N 1.896 123.173 121.223 0.089 0.000 2.013 745 L HA 0.033 4.385 4.340 0.020 0.000 0.212 745 L C 2.799 179.688 176.870 0.032 0.000 1.073 745 L CA 2.120 56.972 54.840 0.019 0.000 0.753 745 L CB -1.109 40.932 42.059 -0.030 0.000 0.890 745 L HN 0.369 nan 8.230 nan 0.000 0.432 746 A N -1.432 121.422 122.820 0.056 0.000 1.898 746 A HA -0.116 4.216 4.320 0.020 0.000 0.214 746 A C 2.435 180.074 177.584 0.090 0.000 1.183 746 A CA 1.492 53.564 52.037 0.058 0.000 0.622 746 A CB -0.998 18.032 19.000 0.050 0.000 0.824 746 A HN 0.628 nan 8.150 nan 0.000 0.444 747 S N 0.166 115.956 115.700 0.149 0.000 2.399 747 S HA -0.176 4.306 4.470 0.020 0.000 0.231 747 S C 1.882 176.586 174.600 0.173 0.000 1.022 747 S CA 1.204 59.518 58.200 0.190 0.000 0.983 747 S CB -0.502 62.881 63.200 0.305 0.000 0.803 747 S HN 0.573 nan 8.310 nan 0.000 0.480 748 R N 1.300 121.886 120.500 0.143 0.000 2.241 748 R HA 0.107 4.459 4.340 0.020 0.000 0.224 748 R C 1.787 178.174 176.300 0.145 0.000 1.101 748 R CA 1.111 57.305 56.100 0.156 0.000 0.995 748 R CB -0.161 30.116 30.300 -0.039 0.000 0.870 748 R HN 0.511 nan 8.270 nan 0.000 0.463 749 K N -0.215 120.233 120.400 0.081 0.000 2.404 749 K HA 0.072 4.404 4.320 0.020 0.000 0.194 749 K C 0.075 176.683 176.600 0.012 0.000 1.023 749 K CA -0.051 56.260 56.287 0.041 0.000 1.094 749 K CB 0.241 32.757 32.500 0.027 0.000 0.841 749 K HN 0.062 nan 8.250 nan 0.000 0.523 750 N N 1.506 120.222 118.700 0.025 0.000 2.463 750 N HA 0.194 4.946 4.740 0.020 0.000 0.270 750 N C -2.678 172.804 175.510 -0.047 0.000 1.205 750 N CA -2.079 50.975 53.050 0.006 0.000 0.974 750 N CB 0.420 38.934 38.487 0.045 0.000 1.197 750 N HN -0.204 nan 8.380 nan 0.000 0.504 751 P HA 0.069 nan 4.420 nan 0.000 0.266 751 P C -0.308 176.939 177.300 -0.088 0.000 1.195 751 P CA 0.303 63.351 63.100 -0.086 0.000 0.768 751 P CB 0.560 32.231 31.700 -0.047 0.000 0.838 752 L N 1.533 122.651 121.223 -0.175 0.000 2.387 752 L HA 0.813 5.165 4.340 0.020 0.000 0.266 752 L C 1.110 178.024 176.870 0.074 0.000 1.059 752 L CA -0.324 54.431 54.840 -0.143 0.000 0.801 752 L CB 1.092 42.812 42.059 -0.564 0.000 1.223 752 L HN 0.435 nan 8.230 nan 0.000 0.456 753 G N 0.402 109.338 108.800 0.227 0.000 2.694 753 G HA2 0.717 4.689 3.960 0.020 0.000 0.290 753 G HA3 0.717 4.689 3.960 0.020 0.000 0.290 753 G C -1.704 173.317 174.900 0.201 0.000 1.386 753 G CA -0.583 44.641 45.100 0.205 0.000 0.872 753 G HN 0.344 nan 8.290 nan 0.000 0.475 754 L N 0.377 121.594 121.223 -0.010 0.000 2.386 754 L HA 0.561 4.912 4.340 0.020 0.000 0.271 754 L C -0.712 176.114 176.870 -0.073 0.000 0.993 754 L CA -0.794 53.949 54.840 -0.161 0.000 0.819 754 L CB 2.344 44.108 42.059 -0.491 0.000 1.294 754 L HN 0.326 nan 8.230 nan 0.000 0.414 755 I N 4.211 124.794 120.570 0.022 0.000 2.330 755 I HA 0.361 4.543 4.170 0.020 0.000 0.289 755 I C -0.389 175.789 176.117 0.102 0.000 1.001 755 I CA -0.263 61.059 61.300 0.037 0.000 1.193 755 I CB 1.612 39.635 38.000 0.037 0.000 1.345 755 I HN 0.399 nan 8.210 nan 0.000 0.461 756 I N 6.326 126.892 120.570 -0.007 0.000 2.306 756 I HA 0.377 4.559 4.170 0.020 0.000 0.288 756 I C 0.409 176.513 176.117 -0.021 0.000 1.036 756 I CA -0.275 61.033 61.300 0.012 0.000 1.221 756 I CB 1.235 39.221 38.000 -0.024 0.000 1.385 756 I HN 0.608 nan 8.210 nan 0.000 0.472 757 A N 8.291 131.164 122.820 0.090 0.000 2.366 757 A HA 0.567 4.899 4.320 0.020 0.000 0.322 757 A C -0.121 177.549 177.584 0.143 0.000 1.397 757 A CA -0.461 51.578 52.037 0.004 0.000 0.984 757 A CB 0.053 19.259 19.000 0.342 0.000 1.149 757 A HN 0.692 nan 8.150 nan 0.000 0.540 758 L N 2.745 124.016 121.223 0.080 0.000 2.416 758 L HA 0.174 4.526 4.340 0.020 0.000 0.272 758 L C 0.690 177.710 176.870 0.250 0.000 1.161 758 L CA -0.583 54.359 54.840 0.169 0.000 0.845 758 L CB 0.535 42.682 42.059 0.147 0.000 1.119 758 L HN 0.874 nan 8.230 nan 0.000 0.464 759 D N 1.249 121.731 120.400 0.137 0.000 2.447 759 D HA 0.014 4.666 4.640 0.020 0.000 0.265 759 D C 0.684 177.028 176.300 0.073 0.000 1.250 759 D CA -0.428 53.625 54.000 0.088 0.000 1.046 759 D CB 0.521 41.340 40.800 0.031 0.000 1.095 759 D HN 0.450 nan 8.370 nan 0.000 0.555 760 E N -0.953 119.269 120.200 0.037 0.000 2.204 760 E HA -0.105 4.257 4.350 0.020 0.000 0.195 760 E C 0.881 177.499 176.600 0.031 0.000 0.990 760 E CA 0.952 57.369 56.400 0.028 0.000 0.821 760 E CB -0.301 29.407 29.700 0.013 0.000 0.750 760 E HN 0.347 nan 8.360 nan 0.000 0.477 761 N N 0.765 119.483 118.700 0.031 0.000 2.322 761 N HA 0.002 4.754 4.740 0.020 0.000 0.194 761 N C -0.417 175.117 175.510 0.040 0.000 1.126 761 N CA 0.200 53.266 53.050 0.027 0.000 0.845 761 N CB 0.565 39.063 38.487 0.018 0.000 0.976 761 N HN -0.093 nan 8.380 nan 0.000 0.475 762 K N 0.607 121.045 120.400 0.063 0.000 3.117 762 K HA -0.163 4.169 4.320 0.020 0.000 0.269 762 K C -0.571 176.087 176.600 0.096 0.000 1.098 762 K CA 0.718 57.063 56.287 0.096 0.000 0.785 762 K CB -2.081 30.478 32.500 0.099 0.000 1.242 762 K HN 0.539 nan 8.250 nan 0.000 0.491 763 E N -0.795 119.444 120.200 0.065 0.000 2.336 763 E HA 0.833 5.195 4.350 0.020 0.000 0.267 763 E C -0.608 176.005 176.600 0.022 0.000 0.906 763 E CA -0.768 55.657 56.400 0.042 0.000 0.781 763 E CB 2.204 31.910 29.700 0.011 0.000 1.261 763 E HN 0.260 nan 8.360 nan 0.000 0.436 764 A N 1.565 124.388 122.820 0.005 0.000 2.601 764 A HA 0.665 4.997 4.320 0.020 0.000 0.291 764 A C -1.594 175.961 177.584 -0.048 0.000 1.075 764 A CA -0.802 51.205 52.037 -0.049 0.000 0.671 764 A CB 1.621 20.628 19.000 0.012 0.000 1.277 764 A HN 0.468 nan 8.150 nan 0.000 0.417 765 K N -0.388 119.943 120.400 -0.115 0.000 2.508 765 K HA 0.731 5.063 4.320 0.020 0.000 0.260 765 K C -0.264 176.358 176.600 0.037 0.000 0.949 765 K CA -0.339 55.934 56.287 -0.023 0.000 0.834 765 K CB 2.839 35.302 32.500 -0.062 0.000 1.365 765 K HN 1.404 nan 8.250 nan 0.000 0.437 766 G N 0.555 109.465 108.800 0.184 0.000 2.606 766 G HA2 0.572 4.544 3.960 0.020 0.000 0.300 766 G HA3 0.572 4.544 3.960 0.020 0.000 0.300 766 G C -1.836 173.231 174.900 0.278 0.000 1.360 766 G CA -0.657 44.618 45.100 0.292 0.000 0.783 766 G HN 0.654 nan 8.290 nan 0.000 0.484 767 E N -1.760 118.631 120.200 0.318 0.000 2.430 767 E HA 0.681 5.043 4.350 0.020 0.000 0.279 767 E C -2.189 174.600 176.600 0.316 0.000 1.003 767 E CA -1.044 55.407 56.400 0.085 0.000 0.801 767 E CB 2.511 32.293 29.700 0.137 0.000 1.313 767 E HN 0.822 nan 8.360 nan 0.000 0.459 768 L N 1.592 122.942 121.223 0.213 0.000 2.476 768 L HA 0.561 4.913 4.340 0.020 0.000 0.269 768 L C -1.957 175.150 176.870 0.395 0.000 0.965 768 L CA -0.620 54.497 54.840 0.460 0.000 0.845 768 L CB 1.737 44.185 42.059 0.648 0.000 1.259 768 L HN 0.671 nan 8.230 nan 0.000 0.403 769 F N 5.677 125.784 119.950 0.260 0.000 2.404 769 F HA 0.656 5.195 4.527 0.019 0.000 0.339 769 F C -1.315 174.712 175.800 0.379 0.000 1.105 769 F CA -0.152 57.883 58.000 0.059 0.000 1.087 769 F CB 0.954 39.734 39.000 -0.367 0.000 1.143 769 F HN 0.626 nan 8.300 nan 0.000 0.491 770 W N 8.719 129.610 121.300 -0.681 0.000 3.132 770 W HA 0.252 4.924 4.660 0.019 0.000 0.337 770 W C -1.823 174.362 176.519 -0.557 0.000 1.082 770 W CA -0.674 56.452 57.345 -0.365 0.000 1.242 770 W CB 1.858 31.303 29.460 -0.025 0.000 1.354 770 W HN 0.749 nan 8.180 nan 0.000 0.461 771 D N 1.389 121.273 120.400 -0.859 0.000 2.837 771 D HA 0.168 4.820 4.640 0.020 0.000 0.294 771 D C 0.599 176.260 176.300 -1.064 0.000 1.158 771 D CA -0.228 53.236 54.000 -0.894 0.000 1.073 771 D CB 0.098 40.533 40.800 -0.607 0.000 1.419 771 D HN 0.249 nan 8.370 nan 0.000 0.584 772 D N -1.675 118.095 120.400 -1.050 0.000 2.363 772 D HA 0.149 4.801 4.640 0.020 0.000 0.226 772 D C 1.551 177.592 176.300 -0.431 0.000 1.020 772 D CA 0.893 54.510 54.000 -0.638 0.000 0.892 772 D CB -0.363 40.188 40.800 -0.414 0.000 0.900 772 D HN 0.869 nan 8.370 nan 0.000 0.531 773 G N 0.764 109.324 108.800 -0.401 0.000 2.179 773 G HA2 -0.360 3.612 3.960 0.020 0.000 0.260 773 G HA3 -0.360 3.612 3.960 0.020 0.000 0.260 773 G C 0.702 175.519 174.900 -0.139 0.000 0.977 773 G CA 0.733 45.639 45.100 -0.324 0.000 0.641 773 G HN 0.615 nan 8.290 nan 0.000 0.533 774 E N -2.271 117.862 120.200 -0.113 0.000 2.626 774 E HA 0.113 4.475 4.350 0.020 0.000 0.194 774 E C 0.303 176.873 176.600 -0.048 0.000 0.950 774 E CA 0.370 56.735 56.400 -0.058 0.000 1.583 774 E CB 0.010 29.709 29.700 -0.002 0.000 1.881 774 E HN 0.245 nan 8.360 nan 0.000 0.979 775 T N 2.324 116.841 114.554 -0.061 0.000 2.901 775 T HA 0.138 4.500 4.350 0.020 0.000 0.301 775 T C -0.227 174.457 174.700 -0.028 0.000 1.012 775 T CA -0.073 62.005 62.100 -0.035 0.000 1.135 775 T CB 1.461 70.307 68.868 -0.037 0.000 0.936 775 T HN 0.073 nan 8.240 nan 0.000 0.539 776 K N 1.963 122.356 120.400 -0.011 0.000 2.326 776 K HA 0.065 4.397 4.320 0.020 0.000 0.275 776 K C -0.049 176.558 176.600 0.012 0.000 1.018 776 K CA -0.163 56.118 56.287 -0.011 0.000 0.962 776 K CB 0.301 32.803 32.500 0.004 0.000 0.953 776 K HN 0.596 nan 8.250 nan 0.000 0.475 777 D N 1.180 121.591 120.400 0.017 0.000 3.090 777 D HA -0.162 4.490 4.640 0.020 0.000 0.215 777 D C 0.884 177.241 176.300 0.095 0.000 1.140 777 D CA 1.580 55.619 54.000 0.065 0.000 0.937 777 D CB -1.465 39.373 40.800 0.064 0.000 1.108 777 D HN 0.852 nan 8.370 nan 0.000 0.420 778 T N -3.427 111.176 114.554 0.082 0.000 2.881 778 T HA -0.090 4.272 4.350 0.020 0.000 0.270 778 T C 1.922 176.781 174.700 0.266 0.000 1.068 778 T CA 1.474 63.652 62.100 0.130 0.000 1.131 778 T CB -0.172 68.736 68.868 0.067 0.000 0.871 778 T HN 0.183 nan 8.240 nan 0.000 0.479 779 V N 1.903 121.959 119.914 0.238 0.000 2.302 779 V HA 0.104 4.236 4.120 0.020 0.000 0.243 779 V C 3.253 179.542 176.094 0.325 0.000 1.036 779 V CA 1.311 63.789 62.300 0.296 0.000 1.020 779 V CB -1.369 30.600 31.823 0.243 0.000 0.657 779 V HN 0.624 nan 8.190 nan 0.000 0.453 780 A N 0.578 123.535 122.820 0.228 0.000 1.940 780 A HA -0.268 4.064 4.320 0.020 0.000 0.219 780 A C 1.852 179.533 177.584 0.162 0.000 1.176 780 A CA 2.405 54.544 52.037 0.169 0.000 0.631 780 A CB -0.849 18.225 19.000 0.123 0.000 0.814 780 A HN 0.720 nan 8.150 nan 0.000 0.446 781 N N -0.455 118.342 118.700 0.163 0.000 2.398 781 N HA 0.054 4.806 4.740 0.020 0.000 0.188 781 N C -0.557 175.041 175.510 0.146 0.000 1.122 781 N CA -0.017 53.111 53.050 0.131 0.000 0.866 781 N CB 0.180 38.728 38.487 0.101 0.000 0.970 781 N HN 0.135 nan 8.380 nan 0.000 0.462 782 K N 0.265 120.806 120.400 0.234 0.000 3.244 782 K HA -0.136 4.196 4.320 0.020 0.000 0.270 782 K C -1.106 175.533 176.600 0.065 0.000 1.016 782 K CA 0.328 56.721 56.287 0.175 0.000 0.754 782 K CB -2.025 30.507 32.500 0.054 0.000 1.326 782 K HN 0.054 nan 8.250 nan 0.000 0.465 783 V N 2.147 122.177 119.914 0.193 0.000 2.220 783 V HA 0.399 4.531 4.120 0.020 0.000 0.265 783 V C -0.293 175.929 176.094 0.214 0.000 1.078 783 V CA -0.535 61.852 62.300 0.145 0.000 0.872 783 V CB -0.641 31.257 31.823 0.126 0.000 1.121 783 V HN 0.382 nan 8.190 nan 0.000 0.460 784 Y N 2.263 122.592 120.300 0.049 0.000 2.713 784 Y HA 0.802 5.364 4.550 0.020 0.000 0.335 784 Y C -1.684 174.211 175.900 -0.007 0.000 1.222 784 Y CA -1.812 56.242 58.100 -0.076 0.000 1.061 784 Y CB 1.583 39.904 38.460 -0.231 0.000 1.314 784 Y HN 0.224 nan 8.280 nan 0.000 0.453 785 L N 2.833 124.140 121.223 0.140 0.000 2.317 785 L HA 0.815 5.167 4.340 0.020 0.000 0.281 785 L C -1.778 175.194 176.870 0.171 0.000 1.024 785 L CA -0.914 54.000 54.840 0.124 0.000 0.810 785 L CB 1.561 43.736 42.059 0.193 0.000 1.240 785 L HN 0.771 nan 8.230 nan 0.000 0.427 786 L N 6.287 127.613 121.223 0.171 0.000 2.406 786 L HA 0.707 5.059 4.340 0.020 0.000 0.272 786 L C -0.820 176.110 176.870 0.100 0.000 0.980 786 L CA -0.173 54.789 54.840 0.204 0.000 0.831 786 L CB 1.250 43.506 42.059 0.328 0.000 1.253 786 L HN 0.942 nan 8.230 nan 0.000 0.406 787 C N 1.359 120.677 119.300 0.030 0.000 2.719 787 C HA 0.974 5.446 4.460 0.020 0.000 0.327 787 C C -0.343 174.432 174.990 -0.358 0.000 1.238 787 C CA -0.798 58.148 59.018 -0.121 0.000 1.727 787 C CB 1.476 29.152 27.740 -0.107 0.000 2.256 787 C HN 0.836 nan 8.230 nan 0.000 0.489 788 E N -0.059 119.904 120.200 -0.395 0.000 2.266 788 E HA 0.733 5.095 4.350 0.020 0.000 0.268 788 E C -1.496 174.848 176.600 -0.427 0.000 0.879 788 E CA -0.104 56.074 56.400 -0.370 0.000 0.762 788 E CB 1.481 31.121 29.700 -0.101 0.000 1.199 788 E HN 0.537 nan 8.360 nan 0.000 0.422 789 F N 1.016 121.003 119.950 0.062 0.000 2.495 789 F HA 0.665 5.204 4.527 0.020 0.000 0.327 789 F C 0.076 175.888 175.800 0.020 0.000 1.103 789 F CA -0.893 57.121 58.000 0.023 0.000 0.949 789 F CB 1.907 40.902 39.000 -0.008 0.000 1.142 789 F HN 0.347 nan 8.300 nan 0.000 0.457 790 S N 0.794 116.614 115.700 0.200 0.000 2.536 790 S HA 0.859 5.341 4.470 0.020 0.000 0.271 790 S C -1.647 173.013 174.600 0.099 0.000 1.134 790 S CA -0.816 57.452 58.200 0.113 0.000 0.897 790 S CB 1.676 64.914 63.200 0.063 0.000 1.094 790 S HN 0.377 nan 8.310 nan 0.000 0.473 791 V N 2.226 122.187 119.914 0.080 0.000 2.483 791 V HA 0.771 4.903 4.120 0.020 0.000 0.297 791 V C -0.748 175.369 176.094 0.039 0.000 1.027 791 V CA -0.248 62.103 62.300 0.085 0.000 0.855 791 V CB 1.649 33.571 31.823 0.165 0.000 0.995 791 V HN 1.129 nan 8.190 nan 0.000 0.424 792 T N 3.665 118.211 114.554 -0.013 0.000 3.032 792 T HA 0.364 4.726 4.350 0.020 0.000 0.312 792 T C -0.686 173.966 174.700 -0.080 0.000 1.078 792 T CA -0.790 61.295 62.100 -0.025 0.000 1.028 792 T CB 1.563 70.415 68.868 -0.026 0.000 1.091 792 T HN 0.641 nan 8.240 nan 0.000 0.457 793 Q N 2.260 122.027 119.800 -0.056 0.000 3.237 793 Q HA -0.185 4.167 4.340 0.020 0.000 0.397 793 Q C 0.278 176.119 176.000 -0.265 0.000 1.085 793 Q CA 0.958 56.715 55.803 -0.076 0.000 1.207 793 Q CB -0.270 28.460 28.738 -0.013 0.000 1.109 793 Q HN 0.881 nan 8.270 nan 0.000 0.476 794 N N 0.069 118.468 118.700 -0.501 0.000 2.965 794 N HA -0.217 4.535 4.740 0.020 0.000 0.232 794 N C -0.496 174.112 175.510 -1.503 0.000 0.913 794 N CA 1.361 53.721 53.050 -1.151 0.000 0.981 794 N CB -0.469 37.676 38.487 -0.570 0.000 1.077 794 N HN 0.632 nan 8.380 nan 0.000 0.589 795 R N 0.520 120.365 120.500 -1.092 0.000 2.515 795 R HA 0.498 4.850 4.340 0.020 0.000 0.278 795 R C -1.992 174.155 176.300 -0.255 0.000 1.107 795 R CA -0.757 54.977 56.100 -0.611 0.000 0.945 795 R CB 0.968 31.082 30.300 -0.309 0.000 1.219 795 R HN 0.093 nan 8.270 nan 0.000 0.434 796 L N 2.955 124.173 121.223 -0.009 0.000 2.295 796 L HA 0.520 4.872 4.340 0.020 0.000 0.285 796 L C -0.982 175.954 176.870 0.110 0.000 1.035 796 L CA 0.203 55.128 54.840 0.142 0.000 0.806 796 L CB 1.656 43.866 42.059 0.251 0.000 1.214 796 L HN 0.639 nan 8.230 nan 0.000 0.426 797 E N 3.845 124.113 120.200 0.113 0.000 2.183 797 E HA 0.540 4.902 4.350 0.020 0.000 0.271 797 E C -1.293 175.417 176.600 0.184 0.000 0.919 797 E CA -0.888 55.586 56.400 0.124 0.000 0.781 797 E CB 2.346 32.092 29.700 0.077 0.000 1.140 797 E HN 0.468 nan 8.360 nan 0.000 0.402 798 V N 3.603 123.646 119.914 0.215 0.000 2.357 798 V HA 0.306 4.438 4.120 0.020 0.000 0.284 798 V C -0.259 175.922 176.094 0.146 0.000 1.018 798 V CA -0.833 61.620 62.300 0.255 0.000 0.841 798 V CB 1.150 33.198 31.823 0.375 0.000 0.991 798 V HN 0.585 nan 8.190 nan 0.000 0.437 799 N N 4.601 123.337 118.700 0.059 0.000 2.314 799 N HA 0.484 5.236 4.740 0.020 0.000 0.294 799 N C -1.282 174.231 175.510 0.005 0.000 1.029 799 N CA -0.547 52.520 53.050 0.029 0.000 0.845 799 N CB 1.969 40.466 38.487 0.016 0.000 1.321 799 N HN 0.405 nan 8.380 nan 0.000 0.481 800 I N 2.671 123.253 120.570 0.020 0.000 2.321 800 I HA 0.141 4.323 4.170 0.020 0.000 0.291 800 I C 1.633 177.761 176.117 0.018 0.000 0.998 800 I CA -0.250 61.064 61.300 0.022 0.000 1.227 800 I CB 0.830 38.849 38.000 0.032 0.000 1.368 800 I HN 0.623 nan 8.210 nan 0.000 0.466 801 S N 4.699 120.415 115.700 0.027 0.000 2.475 801 S HA 0.108 4.590 4.470 0.020 0.000 0.224 801 S C 0.612 175.223 174.600 0.018 0.000 1.042 801 S CA 0.044 58.265 58.200 0.035 0.000 0.935 801 S CB 0.363 63.601 63.200 0.064 0.000 0.801 801 S HN 0.629 nan 8.310 nan 0.000 0.509 802 Q N 0.856 120.657 119.800 0.001 0.000 2.331 802 Q HA 0.635 4.986 4.340 0.020 0.000 0.272 802 Q C -1.218 174.731 176.000 -0.084 0.000 1.062 802 Q CA -0.244 55.498 55.803 -0.102 0.000 0.806 802 Q CB 2.204 30.774 28.738 -0.281 0.000 1.312 802 Q HN 0.148 nan 8.270 nan 0.000 0.431 803 S N 2.301 117.949 115.700 -0.087 0.000 2.407 803 S HA 0.260 4.742 4.470 0.020 0.000 0.166 803 S C -0.409 174.168 174.600 -0.038 0.000 1.445 803 S CA 0.236 58.414 58.200 -0.035 0.000 1.260 803 S CB -0.201 62.991 63.200 -0.013 0.000 1.401 803 S HN 0.724 nan 8.310 nan 0.000 0.379 804 T N -0.979 113.543 114.554 -0.052 0.000 3.132 804 T HA 0.317 4.678 4.350 0.020 0.000 0.274 804 T C -0.402 174.356 174.700 0.097 0.000 1.011 804 T CA -0.278 61.816 62.100 -0.011 0.000 0.899 804 T CB -0.193 68.643 68.868 -0.053 0.000 1.089 804 T HN 0.493 nan 8.240 nan 0.000 0.543 805 Y N 1.460 121.745 120.300 -0.025 0.000 2.373 805 Y HA 0.628 5.190 4.550 0.020 0.000 0.336 805 Y C -1.049 174.873 175.900 0.036 0.000 0.979 805 Y CA -1.777 56.330 58.100 0.010 0.000 1.080 805 Y CB 1.759 40.229 38.460 0.017 0.000 1.190 805 Y HN 0.021 nan 8.280 nan 0.000 0.446 806 K N 5.569 125.560 120.400 -0.681 0.000 2.450 806 K HA 0.218 4.550 4.320 0.020 0.000 0.257 806 K C -1.092 175.061 176.600 -0.744 0.000 0.953 806 K CA -0.648 55.331 56.287 -0.513 0.000 0.844 806 K CB 0.778 33.137 32.500 -0.235 0.000 1.103 806 K HN 0.739 nan 8.250 nan 0.000 0.429 807 D N 5.587 125.698 120.400 -0.483 0.000 2.450 807 D HA -0.001 4.651 4.640 0.020 0.000 0.247 807 D C -1.303 174.927 176.300 -0.116 0.000 1.162 807 D CA -1.152 52.745 54.000 -0.171 0.000 0.879 807 D CB 1.363 42.291 40.800 0.214 0.000 1.163 807 D HN 0.436 nan 8.370 nan 0.000 0.472 808 P HA -0.031 nan 4.420 nan 0.000 0.237 808 P C 0.033 177.317 177.300 -0.027 0.000 1.178 808 P CA 0.496 63.565 63.100 -0.051 0.000 0.766 808 P CB 0.135 31.818 31.700 -0.027 0.000 0.876 809 N N 0.623 119.318 118.700 -0.009 0.000 2.322 809 N HA 0.003 4.755 4.740 0.020 0.000 0.216 809 N C 0.058 175.543 175.510 -0.040 0.000 1.144 809 N CA -0.175 52.867 53.050 -0.012 0.000 0.830 809 N CB -0.699 37.796 38.487 0.013 0.000 1.034 809 N HN -0.073 nan 8.380 nan 0.000 0.484 810 N N 0.843 119.510 118.700 -0.054 0.000 2.738 810 N HA -0.181 4.571 4.740 0.020 0.000 0.249 810 N C -1.167 174.284 175.510 -0.100 0.000 1.047 810 N CA 0.383 53.394 53.050 -0.066 0.000 0.707 810 N CB -1.191 37.267 38.487 -0.048 0.000 0.937 810 N HN 0.281 nan 8.380 nan 0.000 0.545 811 L N -0.177 120.960 121.223 -0.144 0.000 2.371 811 L HA 0.664 5.016 4.340 0.020 0.000 0.272 811 L C 0.925 177.631 176.870 -0.273 0.000 1.124 811 L CA 0.099 54.797 54.840 -0.236 0.000 0.816 811 L CB 1.156 42.998 42.059 -0.361 0.000 1.129 811 L HN 0.405 nan 8.230 nan 0.000 0.448 812 A N 2.398 125.032 122.820 -0.310 0.000 2.606 812 A HA 0.685 5.017 4.320 0.020 0.000 0.293 812 A C -1.254 176.109 177.584 -0.368 0.000 1.082 812 A CA -0.604 51.250 52.037 -0.305 0.000 0.685 812 A CB 0.896 19.805 19.000 -0.150 0.000 1.284 812 A HN 0.408 nan 8.150 nan 0.000 0.408 813 F N 2.485 122.363 119.950 -0.120 0.000 2.471 813 F HA 0.226 4.765 4.527 0.021 0.000 0.365 813 F C 1.567 177.289 175.800 -0.131 0.000 1.095 813 F CA 0.115 58.042 58.000 -0.122 0.000 1.174 813 F CB 0.753 39.674 39.000 -0.132 0.000 1.105 813 F HN 0.682 nan 8.300 nan 0.000 0.535 814 N N 1.629 120.352 118.700 0.038 0.000 2.184 814 N HA 0.048 4.800 4.740 0.020 0.000 0.206 814 N C -0.424 175.079 175.510 -0.010 0.000 1.151 814 N CA 0.001 53.045 53.050 -0.010 0.000 0.878 814 N CB 0.475 38.942 38.487 -0.033 0.000 1.014 814 N HN 0.724 nan 8.380 nan 0.000 0.512 815 E N 0.299 120.505 120.200 0.011 0.000 2.335 815 E HA 0.447 4.809 4.350 0.020 0.000 0.280 815 E C -1.646 174.930 176.600 -0.039 0.000 0.918 815 E CA -0.588 55.799 56.400 -0.022 0.000 0.765 815 E CB 1.792 31.480 29.700 -0.020 0.000 1.218 815 E HN 0.116 nan 8.360 nan 0.000 0.425 816 I N 3.906 124.425 120.570 -0.086 0.000 2.447 816 I HA 0.342 4.524 4.170 0.020 0.000 0.287 816 I C -0.564 175.470 176.117 -0.139 0.000 1.023 816 I CA -0.737 60.486 61.300 -0.128 0.000 1.083 816 I CB 1.848 39.752 38.000 -0.161 0.000 1.245 816 I HN 0.301 nan 8.210 nan 0.000 0.434 817 K N 7.669 127.988 120.400 -0.134 0.000 2.265 817 K HA 0.654 4.986 4.320 0.020 0.000 0.267 817 K C -1.274 175.225 176.600 -0.167 0.000 0.994 817 K CA -0.453 55.745 56.287 -0.148 0.000 0.860 817 K CB 1.179 33.593 32.500 -0.144 0.000 1.099 817 K HN 0.558 nan 8.250 nan 0.000 0.448 818 I N 6.251 126.708 120.570 -0.188 0.000 2.362 818 I HA 0.279 4.460 4.170 0.020 0.000 0.289 818 I C -0.551 175.449 176.117 -0.195 0.000 0.994 818 I CA -0.872 60.313 61.300 -0.192 0.000 1.158 818 I CB 1.343 39.192 38.000 -0.253 0.000 1.315 818 I HN 0.420 nan 8.210 nan 0.000 0.451 819 L N 5.417 126.465 121.223 -0.292 0.000 2.322 819 L HA 0.624 4.976 4.340 0.020 0.000 0.279 819 L C 0.997 177.655 176.870 -0.353 0.000 1.036 819 L CA -0.580 53.970 54.840 -0.483 0.000 0.807 819 L CB 1.512 42.930 42.059 -1.068 0.000 1.226 819 L HN 0.929 nan 8.230 nan 0.000 0.433 820 G N 1.010 109.775 108.800 -0.059 0.000 2.149 820 G HA2 -0.237 3.735 3.960 0.020 0.000 0.235 820 G HA3 -0.237 3.735 3.960 0.020 0.000 0.235 820 G C 0.062 175.051 174.900 0.148 0.000 1.018 820 G CA 0.351 45.586 45.100 0.224 0.000 0.728 820 G HN 0.680 nan 8.290 nan 0.000 0.508 821 T N -0.279 114.352 114.554 0.129 0.000 2.888 821 T HA 0.570 4.932 4.350 0.020 0.000 0.284 821 T C 0.218 175.045 174.700 0.212 0.000 1.017 821 T CA -0.535 61.659 62.100 0.156 0.000 1.022 821 T CB 1.255 70.198 68.868 0.124 0.000 1.013 821 T HN 0.164 nan 8.240 nan 0.000 0.465 822 E N 1.986 122.253 120.200 0.112 0.000 2.371 822 E HA 0.128 4.490 4.350 0.020 0.000 0.257 822 E C 0.103 176.618 176.600 -0.141 0.000 1.134 822 E CA -0.317 56.120 56.400 0.063 0.000 0.919 822 E CB 0.489 30.162 29.700 -0.046 0.000 1.025 822 E HN 0.717 nan 8.360 nan 0.000 0.438 823 E N 2.237 122.067 120.200 -0.617 0.000 2.606 823 E HA -0.016 4.346 4.350 0.020 0.000 0.248 823 E C -2.126 174.224 176.600 -0.416 0.000 1.005 823 E CA -1.124 54.593 56.400 -1.139 0.000 0.946 823 E CB 0.279 29.450 29.700 -0.882 0.000 0.928 823 E HN 0.004 nan 8.360 nan 0.000 0.494 824 P HA 0.039 nan 4.420 nan 0.000 0.275 824 P C -1.216 175.959 177.300 -0.209 0.000 1.227 824 P CA -0.225 62.661 63.100 -0.357 0.000 0.781 824 P CB 1.359 32.703 31.700 -0.594 0.000 0.906 825 S N 1.116 116.755 115.700 -0.102 0.000 2.634 825 S HA 0.504 4.986 4.470 0.020 0.000 0.296 825 S C -0.342 174.259 174.600 0.001 0.000 1.104 825 S CA -0.770 57.399 58.200 -0.051 0.000 0.920 825 S CB 0.640 63.817 63.200 -0.039 0.000 1.111 825 S HN 0.370 nan 8.310 nan 0.000 0.493 826 N N -0.392 118.309 118.700 0.002 0.000 2.725 826 N HA -0.113 4.639 4.740 0.020 0.000 0.251 826 N C -0.565 174.975 175.510 0.049 0.000 1.031 826 N CA 0.617 53.678 53.050 0.018 0.000 0.720 826 N CB -1.910 36.585 38.487 0.014 0.000 0.930 826 N HN 0.626 nan 8.380 nan 0.000 0.543 827 V N 0.343 120.286 119.914 0.049 0.000 2.529 827 V HA 0.184 4.316 4.120 0.020 0.000 0.292 827 V C 1.087 177.222 176.094 0.068 0.000 1.028 827 V CA 0.403 62.755 62.300 0.087 0.000 1.074 827 V CB 1.244 33.087 31.823 0.032 0.000 0.958 827 V HN 0.313 nan 8.190 nan 0.000 0.481 828 T N 4.517 119.126 114.554 0.092 0.000 2.876 828 T HA 0.608 4.970 4.350 0.020 0.000 0.289 828 T C -0.653 174.100 174.700 0.088 0.000 1.014 828 T CA -0.402 61.740 62.100 0.070 0.000 0.986 828 T CB 1.893 70.792 68.868 0.052 0.000 1.021 828 T HN 0.345 nan 8.240 nan 0.000 0.458 829 V N 3.788 123.753 119.914 0.085 0.000 2.487 829 V HA 0.515 4.647 4.120 0.020 0.000 0.298 829 V C -0.278 175.907 176.094 0.151 0.000 1.028 829 V CA -0.891 61.478 62.300 0.115 0.000 0.860 829 V CB 1.772 33.642 31.823 0.078 0.000 0.991 829 V HN 0.719 nan 8.190 nan 0.000 0.427 830 K N 2.714 123.228 120.400 0.190 0.000 2.203 830 K HA 0.564 4.896 4.320 0.020 0.000 0.251 830 K C -0.899 175.882 176.600 0.302 0.000 0.944 830 K CA -0.786 55.615 56.287 0.189 0.000 0.829 830 K CB 2.324 34.892 32.500 0.113 0.000 1.125 830 K HN 0.847 nan 8.250 nan 0.000 0.430 831 H N 3.000 122.124 119.070 0.090 0.000 2.646 831 H HA 0.137 4.705 4.556 0.020 0.000 0.328 831 H C -0.553 174.710 175.328 -0.108 0.000 0.998 831 H CA -0.436 55.570 56.048 -0.070 0.000 1.225 831 H CB 0.543 30.304 29.762 -0.001 0.000 1.457 831 H HN 0.671 nan 8.280 nan 0.000 0.505 832 N N 3.706 122.327 118.700 -0.131 0.000 2.714 832 N HA -0.190 4.562 4.740 0.020 0.000 0.250 832 N C 1.028 176.485 175.510 -0.088 0.000 1.117 832 N CA 1.527 54.479 53.050 -0.163 0.000 0.719 832 N CB -1.367 36.939 38.487 -0.301 0.000 1.081 832 N HN 1.082 nan 8.380 nan 0.000 0.557 833 G N -2.712 106.072 108.800 -0.027 0.000 2.175 833 G HA2 -0.291 3.681 3.960 0.020 0.000 0.244 833 G HA3 -0.291 3.681 3.960 0.020 0.000 0.244 833 G C -0.096 174.803 174.900 -0.001 0.000 0.982 833 G CA 0.230 45.325 45.100 -0.009 0.000 0.641 833 G HN 0.470 nan 8.290 nan 0.000 0.527 834 V N 2.395 122.307 119.914 -0.003 0.000 2.370 834 V HA 0.470 4.602 4.120 0.020 0.000 0.283 834 V C -1.500 174.625 176.094 0.052 0.000 1.023 834 V CA -1.674 60.629 62.300 0.006 0.000 0.857 834 V CB 1.627 33.433 31.823 -0.028 0.000 0.985 834 V HN 0.082 nan 8.190 nan 0.000 0.443 835 P HA 0.165 nan 4.420 nan 0.000 0.269 835 P C 0.140 177.485 177.300 0.075 0.000 1.205 835 P CA 0.881 64.017 63.100 0.060 0.000 0.780 835 P CB 0.453 32.175 31.700 0.038 0.000 0.858 839 S N 3.628 119.333 115.700 0.009 0.000 2.437 839 S HA 0.765 5.247 4.470 0.020 0.000 0.305 839 S C -2.235 172.363 174.600 -0.003 0.000 1.109 839 S CA -1.191 57.013 58.200 0.006 0.000 1.099 839 S CB 0.400 63.602 63.200 0.004 0.000 1.004 839 S HN 0.770 nan 8.310 nan 0.000 0.475 840 P HA 0.251 nan 4.420 nan 0.000 0.274 840 P C -0.661 176.624 177.300 -0.026 0.000 1.256 840 P CA -0.406 62.681 63.100 -0.021 0.000 0.795 840 P CB 0.258 31.940 31.700 -0.030 0.000 1.038 841 T N 0.430 114.965 114.554 -0.031 0.000 2.832 841 T HA 0.327 4.689 4.350 0.020 0.000 0.296 841 T C -0.043 174.631 174.700 -0.043 0.000 0.968 841 T CA -0.162 61.919 62.100 -0.032 0.000 1.107 841 T CB 0.261 69.113 68.868 -0.028 0.000 0.916 841 T HN 0.103 nan 8.240 nan 0.000 0.517 842 V N 4.032 123.921 119.914 -0.041 0.000 2.531 842 V HA 0.446 4.578 4.120 0.020 0.000 0.301 842 V C 0.125 176.207 176.094 -0.020 0.000 1.034 842 V CA -0.836 61.434 62.300 -0.050 0.000 0.865 842 V CB 2.107 33.885 31.823 -0.075 0.000 0.995 842 V HN 0.954 nan 8.190 nan 0.000 0.424 843 T N 4.683 119.229 114.554 -0.013 0.000 2.797 843 T HA 0.595 4.957 4.350 0.020 0.000 0.279 843 T C -1.262 173.480 174.700 0.070 0.000 0.991 843 T CA -0.332 61.776 62.100 0.012 0.000 0.979 843 T CB 1.178 70.033 68.868 -0.021 0.000 0.943 843 T HN 0.541 nan 8.240 nan 0.000 0.444 844 Y N 2.176 122.435 120.300 -0.068 0.000 2.391 844 Y HA 0.437 4.999 4.550 0.020 0.000 0.341 844 Y C -1.067 174.801 175.900 -0.053 0.000 0.965 844 Y CA -1.425 56.634 58.100 -0.068 0.000 1.067 844 Y CB 1.556 39.979 38.460 -0.060 0.000 1.199 844 Y HN 0.513 nan 8.280 nan 0.000 0.450 845 D N 3.176 123.137 120.400 -0.733 0.000 2.454 845 D HA 0.127 4.779 4.640 0.020 0.000 0.225 845 D C 0.653 176.408 176.300 -0.909 0.000 1.081 845 D CA 0.180 53.828 54.000 -0.586 0.000 0.864 845 D CB 1.388 41.975 40.800 -0.355 0.000 1.040 845 D HN 0.681 nan 8.370 nan 0.000 0.517 846 S N 2.917 118.264 115.700 -0.589 0.000 2.453 846 S HA -0.136 4.346 4.470 0.020 0.000 0.231 846 S C 1.499 176.002 174.600 -0.162 0.000 1.005 846 S CA 0.447 58.458 58.200 -0.316 0.000 0.949 846 S CB -0.118 63.099 63.200 0.028 0.000 0.774 846 S HN 0.578 nan 8.310 nan 0.000 0.510 847 N N 0.592 119.199 118.700 -0.155 0.000 2.171 847 N HA -0.028 4.724 4.740 0.020 0.000 0.184 847 N C 1.143 176.591 175.510 -0.102 0.000 1.021 847 N CA 1.112 54.103 53.050 -0.098 0.000 0.854 847 N CB -0.089 38.348 38.487 -0.083 0.000 0.994 847 N HN 0.318 nan 8.380 nan 0.000 0.426 848 L N 1.377 122.509 121.223 -0.151 0.000 2.529 848 L HA 0.167 4.519 4.340 0.020 0.000 0.223 848 L C 0.333 177.146 176.870 -0.095 0.000 1.113 848 L CA 0.618 55.390 54.840 -0.114 0.000 0.861 848 L CB -0.188 41.794 42.059 -0.127 0.000 1.012 848 L HN 0.032 nan 8.230 nan 0.000 0.461 849 K N -0.263 120.040 120.400 -0.162 0.000 3.150 849 K HA -0.134 4.198 4.320 0.020 0.000 0.267 849 K C -0.656 175.917 176.600 -0.045 0.000 1.028 849 K CA 0.265 56.521 56.287 -0.052 0.000 0.753 849 K CB -2.579 29.973 32.500 0.088 0.000 1.288 849 K HN 0.093 nan 8.250 nan 0.000 0.473 850 V N 0.096 119.883 119.914 -0.212 0.000 2.448 850 V HA 0.707 4.839 4.120 0.020 0.000 0.295 850 V C 0.378 176.418 176.094 -0.089 0.000 1.025 850 V CA -0.671 61.544 62.300 -0.142 0.000 0.859 850 V CB 1.988 33.708 31.823 -0.172 0.000 0.988 850 V HN 0.425 nan 8.190 nan 0.000 0.431 851 A N 6.102 128.939 122.820 0.028 0.000 2.337 851 A HA 0.929 5.261 4.320 0.020 0.000 0.329 851 A C -0.771 176.764 177.584 -0.082 0.000 1.146 851 A CA -0.568 51.505 52.037 0.060 0.000 0.800 851 A CB 0.859 19.854 19.000 -0.009 0.000 1.220 851 A HN 0.771 nan 8.150 nan 0.000 0.472 852 I N 2.718 123.242 120.570 -0.076 0.000 2.436 852 I HA 0.351 4.533 4.170 0.020 0.000 0.289 852 I C -0.850 175.208 176.117 -0.100 0.000 1.010 852 I CA -0.290 60.950 61.300 -0.101 0.000 1.098 852 I CB 1.802 39.750 38.000 -0.087 0.000 1.266 852 I HN 0.490 nan 8.210 nan 0.000 0.434 853 I N 5.940 126.438 120.570 -0.121 0.000 2.321 853 I HA 0.357 4.539 4.170 0.020 0.000 0.291 853 I C 0.491 176.559 176.117 -0.080 0.000 0.998 853 I CA -0.045 61.190 61.300 -0.109 0.000 1.227 853 I CB 1.576 39.494 38.000 -0.137 0.000 1.368 853 I HN 0.672 nan 8.210 nan 0.000 0.466 854 T N 0.078 114.595 114.554 -0.062 0.000 2.724 854 T HA 0.381 4.743 4.350 0.020 0.000 0.274 854 T C -0.049 174.625 174.700 -0.043 0.000 0.984 854 T CA -0.646 61.425 62.100 -0.049 0.000 1.024 854 T CB 1.353 70.196 68.868 -0.042 0.000 1.320 854 T HN 0.572 nan 8.240 nan 0.000 0.555 855 D N -0.481 119.896 120.400 -0.037 0.000 2.697 855 D HA -0.161 4.491 4.640 0.020 0.000 0.238 855 D C -0.737 175.540 176.300 -0.038 0.000 1.152 855 D CA 0.664 54.645 54.000 -0.033 0.000 0.666 855 D CB -1.361 39.424 40.800 -0.026 0.000 1.037 855 D HN 0.737 nan 8.370 nan 0.000 0.423 856 I N 0.142 120.683 120.570 -0.048 0.000 2.865 856 I HA 0.457 4.639 4.170 0.020 0.000 0.302 856 I C -1.105 174.966 176.117 -0.078 0.000 1.140 856 I CA -0.872 60.387 61.300 -0.068 0.000 1.021 856 I CB 1.979 39.932 38.000 -0.078 0.000 1.233 856 I HN -0.035 nan 8.210 nan 0.000 0.427 857 D N 6.352 126.684 120.400 -0.114 0.000 2.472 857 D HA 0.303 4.955 4.640 0.020 0.000 0.248 857 D C -1.529 174.641 176.300 -0.216 0.000 1.271 857 D CA -0.222 53.709 54.000 -0.115 0.000 0.888 857 D CB 0.647 41.402 40.800 -0.074 0.000 1.337 857 D HN 0.273 nan 8.370 nan 0.000 0.526 858 L N 3.564 124.627 121.223 -0.267 0.000 2.268 858 L HA 0.394 4.746 4.340 0.020 0.000 0.289 858 L C 0.286 177.097 176.870 -0.098 0.000 1.064 858 L CA -0.761 53.727 54.840 -0.587 0.000 0.824 858 L CB 0.685 42.404 42.059 -0.567 0.000 1.202 858 L HN 0.241 nan 8.230 nan 0.000 0.433 859 L N 3.836 125.104 121.223 0.075 0.000 2.455 859 L HA 0.057 4.409 4.340 0.020 0.000 0.272 859 L C 0.334 177.301 176.870 0.163 0.000 1.174 859 L CA -0.477 54.419 54.840 0.094 0.000 0.869 859 L CB 0.422 42.535 42.059 0.090 0.000 1.130 859 L HN 0.425 nan 8.230 nan 0.000 0.474 860 L N 3.939 125.139 121.223 -0.039 0.000 2.559 860 L HA 0.210 4.562 4.340 0.020 0.000 0.274 860 L C 1.036 177.938 176.870 0.053 0.000 1.205 860 L CA 1.610 56.423 54.840 -0.044 0.000 0.907 860 L CB 0.294 42.169 42.059 -0.306 0.000 1.153 860 L HN 0.849 nan 8.230 nan 0.000 0.490 861 G N 2.407 111.291 108.800 0.140 0.000 2.176 861 G HA2 -0.172 3.800 3.960 0.020 0.000 0.232 861 G HA3 -0.172 3.800 3.960 0.020 0.000 0.232 861 G C 0.148 175.109 174.900 0.101 0.000 0.986 861 G CA 0.009 45.170 45.100 0.102 0.000 0.643 861 G HN 0.563 nan 8.290 nan 0.000 0.522 862 E N -0.002 120.288 120.200 0.150 0.000 2.244 862 E HA 0.725 5.087 4.350 0.020 0.000 0.266 862 E C 0.260 176.841 176.600 -0.031 0.000 0.914 862 E CA 0.014 56.433 56.400 0.032 0.000 0.794 862 E CB 1.777 31.419 29.700 -0.097 0.000 1.210 862 E HN 0.751 nan 8.360 nan 0.000 0.414 863 A N 2.526 125.263 122.820 -0.139 0.000 2.328 863 A HA 0.587 4.919 4.320 0.020 0.000 0.284 863 A C -1.179 176.241 177.584 -0.273 0.000 1.160 863 A CA -0.114 51.876 52.037 -0.078 0.000 0.818 863 A CB 0.113 19.092 19.000 -0.034 0.000 1.087 863 A HN 0.513 nan 8.150 nan 0.000 0.504 864 Y N -0.269 120.117 120.300 0.143 0.000 2.588 864 Y HA 0.573 5.135 4.550 0.020 0.000 0.343 864 Y C 0.277 176.236 175.900 0.097 0.000 1.065 864 Y CA -0.498 57.678 58.100 0.128 0.000 1.038 864 Y CB 2.642 41.159 38.460 0.096 0.000 1.297 864 Y HN 0.558 nan 8.280 nan 0.000 0.467 865 T N 2.150 116.861 114.554 0.261 0.000 2.841 865 T HA 0.580 4.942 4.350 0.020 0.000 0.285 865 T C -1.229 173.567 174.700 0.160 0.000 0.991 865 T CA -0.647 61.550 62.100 0.162 0.000 0.966 865 T CB 1.106 70.029 68.868 0.091 0.000 0.962 865 T HN 0.303 nan 8.240 nan 0.000 0.438 866 V N 3.831 123.836 119.914 0.151 0.000 2.384 866 V HA 0.486 4.618 4.120 0.020 0.000 0.287 866 V C -0.068 176.131 176.094 0.174 0.000 1.020 866 V CA -0.738 61.671 62.300 0.181 0.000 0.850 866 V CB 1.539 33.486 31.823 0.206 0.000 0.987 866 V HN 0.845 nan 8.190 nan 0.000 0.436 867 E N 3.730 124.009 120.200 0.131 0.000 2.256 867 E HA 0.700 5.062 4.350 0.020 0.000 0.267 867 E C -1.382 175.299 176.600 0.135 0.000 0.892 867 E CA -0.675 55.696 56.400 -0.048 0.000 0.775 867 E CB 2.641 32.289 29.700 -0.088 0.000 1.207 867 E HN 0.723 nan 8.360 nan 0.000 0.420 868 W N 0.743 121.985 121.300 -0.096 0.000 3.042 868 W HA 0.821 5.493 4.660 0.020 0.000 0.342 868 W C -1.426 174.972 176.519 -0.202 0.000 1.240 868 W CA -0.951 56.300 57.345 -0.156 0.000 1.166 868 W CB 0.414 29.749 29.460 -0.207 0.000 1.469 868 W HN 0.538 nan 8.180 nan 0.000 0.579 869 A N 0.712 123.534 122.820 0.004 0.000 2.309 869 A HA 0.861 5.193 4.320 0.020 0.000 0.317 869 A C -1.008 176.483 177.584 -0.156 0.000 1.134 869 A CA -0.615 51.369 52.037 -0.088 0.000 0.866 869 A CB 1.088 20.072 19.000 -0.027 0.000 1.329 869 A HN 0.806 nan 8.150 nan 0.000 0.477 870 H N 0.000 119.120 119.070 0.083 0.000 2.539 870 H HA 0.000 4.568 4.556 0.020 0.000 0.296 870 H CA 0.000 56.081 56.048 0.055 0.000 1.023 870 H CB 0.000 29.800 29.762 0.063 0.000 1.292 870 H HN 0.000 nan 8.280 nan 0.000 0.496