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 3ctt_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 XXSPTVTYDS 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 0.000 176.059 176.094 -0.058 0.000 1.182 7 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 7 V CB 0.000 31.824 31.823 0.001 0.000 1.184 8 N N 3.547 122.224 118.700 -0.039 0.000 2.294 8 N HA -0.069 4.689 4.740 0.030 0.000 0.263 8 N C 1.440 176.911 175.510 -0.064 0.000 1.281 8 N CA 1.120 54.146 53.050 -0.040 0.000 0.846 8 N CB 0.930 39.402 38.487 -0.025 0.000 1.061 8 N HN 0.929 nan 8.380 nan 0.000 0.478 9 E N 3.571 123.735 120.200 -0.061 0.000 2.267 9 E HA -0.200 4.168 4.350 0.030 0.000 0.197 9 E C 1.182 177.854 176.600 0.120 0.000 0.998 9 E CA 0.991 57.354 56.400 -0.062 0.000 0.830 9 E CB -0.302 29.358 29.700 -0.067 0.000 0.751 9 E HN 0.686 nan 8.360 nan 0.000 0.491 10 L N 0.567 121.867 121.223 0.127 0.000 2.376 10 L HA -0.037 4.321 4.340 0.030 0.000 0.219 10 L C 1.781 178.654 176.870 0.004 0.000 1.133 10 L CA 0.984 55.900 54.840 0.128 0.000 0.816 10 L CB -0.245 41.803 42.059 -0.017 0.000 0.933 10 L HN 0.148 nan 8.230 nan 0.000 0.449 11 E N -0.215 119.990 120.200 0.007 0.000 2.474 11 E HA 0.082 4.450 4.350 0.030 0.000 0.195 11 E C 0.269 176.883 176.600 0.024 0.000 1.039 11 E CA -0.259 56.130 56.400 -0.019 0.000 0.881 11 E CB 0.417 30.099 29.700 -0.030 0.000 0.970 11 E HN 0.362 nan 8.360 nan 0.000 0.486 12 R N 1.449 121.971 120.500 0.036 0.000 2.489 12 R HA 0.119 4.478 4.340 0.030 0.000 0.287 12 R C -0.151 176.273 176.300 0.207 0.000 1.053 12 R CA 0.260 56.361 56.100 0.001 0.000 1.036 12 R CB 0.668 30.806 30.300 -0.270 0.000 0.966 12 R HN -0.002 nan 8.270 nan 0.000 0.432 13 I N 3.340 124.072 120.570 0.269 0.000 2.328 13 I HA 0.060 4.248 4.170 0.030 0.000 0.287 13 I C 0.138 176.445 176.117 0.318 0.000 1.012 13 I CA -0.996 60.493 61.300 0.315 0.000 1.195 13 I CB 0.987 39.191 38.000 0.338 0.000 1.350 13 I HN 0.533 nan 8.210 nan 0.000 0.464 14 N N 4.719 123.564 118.700 0.242 0.000 2.440 14 N HA -0.077 4.681 4.740 0.030 0.000 0.265 14 N C 0.794 176.297 175.510 -0.011 0.000 1.239 14 N CA 0.324 53.446 53.050 0.120 0.000 0.909 14 N CB 0.691 39.252 38.487 0.123 0.000 1.066 14 N HN 0.744 nan 8.380 nan 0.000 0.474 15 c N 4.553 122.969 118.600 -0.307 0.000 2.696 15 c HA 0.396 4.984 4.570 0.030 0.000 0.264 15 c C 0.640 174.620 174.090 -0.183 0.000 1.288 15 c CA -0.307 55.612 56.329 -0.684 0.000 1.717 15 c CB -1.111 40.835 42.510 -0.941 0.000 1.893 15 c HN 0.718 nan 8.230 nan 0.000 0.577 16 I N 2.487 123.040 120.570 -0.028 0.000 2.778 16 I HA 0.264 4.452 4.170 0.030 0.000 0.285 16 I C -1.727 174.463 176.117 0.121 0.000 1.236 16 I CA -1.118 60.222 61.300 0.067 0.000 1.089 16 I CB 1.044 39.086 38.000 0.069 0.000 1.601 16 I HN 0.105 nan 8.210 nan 0.000 0.573 17 P HA -0.027 nan 4.420 nan 0.000 0.240 17 P C 0.455 177.935 177.300 0.299 0.000 1.190 17 P CA 0.897 64.145 63.100 0.248 0.000 0.781 17 P CB 0.248 32.138 31.700 0.316 0.000 0.931 18 D N -0.847 119.750 120.400 0.329 0.000 2.379 18 D HA 0.011 4.669 4.640 0.030 0.000 0.208 18 D C 0.767 177.144 176.300 0.129 0.000 1.065 18 D CA 0.279 54.454 54.000 0.292 0.000 0.848 18 D CB 0.284 41.387 40.800 0.505 0.000 0.949 18 D HN 0.355 nan 8.370 nan 0.000 0.509 19 Q N -0.363 119.493 119.800 0.093 0.000 2.687 19 Q HA 0.396 4.755 4.340 0.030 0.000 0.295 19 Q C -3.176 172.828 176.000 0.007 0.000 0.920 19 Q CA -1.636 54.190 55.803 0.039 0.000 0.766 19 Q CB 1.067 29.834 28.738 0.049 0.000 1.467 19 Q HN -0.264 nan 8.270 nan 0.000 0.415 20 P HA 0.131 nan 4.420 nan 0.000 0.264 20 P C -2.365 174.943 177.300 0.014 0.000 1.193 20 P CA -0.568 62.506 63.100 -0.045 0.000 0.763 20 P CB -0.330 31.346 31.700 -0.041 0.000 0.810 21 P HA 0.064 nan 4.420 nan 0.000 0.267 21 P C -0.194 177.339 177.300 0.388 0.000 1.209 21 P CA 0.378 63.608 63.100 0.218 0.000 0.763 21 P CB 0.333 32.166 31.700 0.222 0.000 0.816 22 T N -0.941 113.749 114.554 0.228 0.000 2.907 22 T HA 0.319 4.687 4.350 0.030 0.000 0.292 22 T C 0.973 175.338 174.700 -0.558 0.000 1.043 22 T CA -0.948 61.137 62.100 -0.026 0.000 1.003 22 T CB 2.350 71.181 68.868 -0.062 0.000 1.084 22 T HN 0.257 nan 8.240 nan 0.000 0.483 23 K N 0.687 120.370 120.400 -1.196 0.000 2.097 23 K HA -0.055 4.283 4.320 0.030 0.000 0.206 23 K C 2.341 178.586 176.600 -0.591 0.000 1.049 23 K CA 1.369 56.826 56.287 -1.383 0.000 0.933 23 K CB -0.703 30.937 32.500 -1.433 0.000 0.717 23 K HN 0.735 nan 8.250 nan 0.000 0.442 24 A N 0.472 123.064 122.820 -0.379 0.000 1.877 24 A HA -0.149 4.189 4.320 0.030 0.000 0.216 24 A C 2.177 179.658 177.584 -0.172 0.000 1.186 24 A CA 2.222 54.124 52.037 -0.225 0.000 0.620 24 A CB -1.019 17.887 19.000 -0.157 0.000 0.822 24 A HN 0.398 nan 8.150 nan 0.000 0.443 25 T N -1.035 113.430 114.554 -0.149 0.000 2.777 25 T HA -0.186 4.182 4.350 0.030 0.000 0.266 25 T C 1.973 176.612 174.700 -0.101 0.000 1.040 25 T CA 1.346 63.385 62.100 -0.102 0.000 1.141 25 T CB -0.837 67.995 68.868 -0.061 0.000 0.868 25 T HN 0.657 nan 8.240 nan 0.000 0.444 26 C N 2.003 121.232 119.300 -0.119 0.000 2.398 26 C HA -0.164 4.315 4.460 0.030 0.000 0.276 26 C C 2.374 177.310 174.990 -0.089 0.000 1.222 26 C CA 1.261 60.238 59.018 -0.068 0.000 1.746 26 C CB -1.173 26.563 27.740 -0.006 0.000 2.039 26 C HN 0.489 nan 8.230 nan 0.000 0.470 27 D N -0.275 120.042 120.400 -0.137 0.000 2.144 27 D HA -0.123 4.536 4.640 0.030 0.000 0.200 27 D C 2.145 178.399 176.300 -0.077 0.000 0.978 27 D CA 1.468 55.405 54.000 -0.106 0.000 0.833 27 D CB -0.702 40.018 40.800 -0.133 0.000 0.961 27 D HN 0.636 nan 8.370 nan 0.000 0.470 28 Q N 0.999 120.748 119.800 -0.085 0.000 2.170 28 Q HA -0.059 4.299 4.340 0.030 0.000 0.203 28 Q C 1.588 177.554 176.000 -0.056 0.000 0.976 28 Q CA 1.388 57.149 55.803 -0.071 0.000 0.858 28 Q CB -0.001 28.689 28.738 -0.079 0.000 0.907 28 Q HN 0.162 nan 8.270 nan 0.000 0.433 29 R N -1.138 119.330 120.500 -0.053 0.000 2.310 29 R HA 0.220 4.578 4.340 0.030 0.000 0.202 29 R C 0.698 177.027 176.300 0.049 0.000 0.933 29 R CA 0.525 56.614 56.100 -0.018 0.000 1.054 29 R CB 0.170 30.443 30.300 -0.045 0.000 0.985 29 R HN 0.376 nan 8.270 nan 0.000 0.489 30 G N 1.059 109.870 108.800 0.020 0.000 2.225 30 G HA2 -0.288 3.690 3.960 0.030 0.000 0.264 30 G HA3 -0.288 3.690 3.960 0.030 0.000 0.264 30 G C 0.130 175.069 174.900 0.066 0.000 1.060 30 G CA 0.074 45.204 45.100 0.051 0.000 0.833 30 G HN 0.340 nan 8.290 nan 0.000 0.498 31 c N -1.187 117.406 118.600 -0.011 0.000 2.604 31 c HA 0.814 5.402 4.570 0.030 0.000 0.416 31 c C 1.197 175.197 174.090 -0.150 0.000 1.566 31 c CA -0.529 55.743 56.329 -0.095 0.000 1.812 31 c CB 1.402 43.795 42.510 -0.195 0.000 2.028 31 c HN 0.690 nan 8.230 nan 0.000 0.489 32 C N 1.206 120.286 119.300 -0.368 0.000 2.376 32 C HA 0.558 5.037 4.460 0.030 0.000 0.335 32 C C -0.437 174.359 174.990 -0.324 0.000 1.229 32 C CA -0.563 58.161 59.018 -0.490 0.000 1.867 32 C CB 0.138 27.231 27.740 -1.079 0.000 2.319 32 C HN 0.849 nan 8.230 nan 0.000 0.515 33 W N 4.684 125.832 121.300 -0.254 0.000 2.471 33 W HA 0.443 5.121 4.660 0.030 0.000 0.318 33 W C -0.776 175.738 176.519 -0.008 0.000 1.034 33 W CA -0.164 57.126 57.345 -0.092 0.000 1.224 33 W CB 1.162 30.576 29.460 -0.076 0.000 1.335 33 W HN 0.722 nan 8.180 nan 0.000 0.452 34 N N 7.473 125.873 118.700 -0.501 0.000 2.827 34 N HA 0.199 4.957 4.740 0.030 0.000 0.240 34 N C -2.472 172.581 175.510 -0.761 0.000 1.352 34 N CA -1.339 51.444 53.050 -0.446 0.000 0.760 34 N CB 1.496 39.954 38.487 -0.049 0.000 1.426 34 N HN 0.057 nan 8.380 nan 0.000 0.561 35 P HA 0.076 nan 4.420 nan 0.000 0.247 35 P C 0.175 176.866 177.300 -1.015 0.000 1.225 35 P CA 0.654 62.715 63.100 -1.731 0.000 0.768 35 P CB 0.287 30.869 31.700 -1.864 0.000 1.020 36 Q N -0.415 119.060 119.800 -0.542 0.000 2.211 36 Q HA 0.257 4.615 4.340 0.030 0.000 0.231 36 Q C 1.014 176.908 176.000 -0.177 0.000 0.865 36 Q CA -0.068 55.554 55.803 -0.302 0.000 0.997 36 Q CB 0.448 29.053 28.738 -0.221 0.000 1.101 36 Q HN 0.152 nan 8.270 nan 0.000 0.468 37 G N 0.266 108.975 108.800 -0.153 0.000 2.563 37 G HA2 0.535 4.513 3.960 0.030 0.000 0.283 37 G HA3 0.535 4.513 3.960 0.030 0.000 0.283 37 G C -0.165 174.708 174.900 -0.046 0.000 1.309 37 G CA -0.021 45.026 45.100 -0.089 0.000 1.022 37 G HN 0.306 nan 8.290 nan 0.000 0.501 38 A N -1.229 121.560 122.820 -0.052 0.000 2.251 38 A HA 0.524 4.863 4.320 0.030 0.000 0.278 38 A C 0.703 178.232 177.584 -0.093 0.000 1.206 38 A CA -0.251 51.762 52.037 -0.041 0.000 0.822 38 A CB 0.220 19.214 19.000 -0.010 0.000 1.187 38 A HN 1.442 nan 8.150 nan 0.000 0.504 39 V N 0.656 120.520 119.914 -0.083 0.000 2.644 39 V HA 0.256 4.395 4.120 0.030 0.000 0.305 39 V C 0.907 176.817 176.094 -0.306 0.000 1.053 39 V CA 1.909 64.125 62.300 -0.140 0.000 1.186 39 V CB 0.040 31.816 31.823 -0.079 0.000 0.895 39 V HN 1.516 nan 8.190 nan 0.000 0.490 40 S N 1.773 117.227 115.700 -0.410 0.000 2.524 40 S HA -0.176 4.312 4.470 0.030 0.000 0.254 40 S C 0.250 174.136 174.600 -1.189 0.000 1.258 40 S CA 0.857 58.676 58.200 -0.633 0.000 1.448 40 S CB -1.621 61.307 63.200 -0.454 0.000 1.806 40 S HN 1.000 nan 8.310 nan 0.000 0.630 41 V N 4.434 123.686 119.914 -1.103 0.000 2.493 41 V HA 0.157 4.295 4.120 0.030 0.000 0.292 41 V C -1.846 173.896 176.094 -0.588 0.000 1.016 41 V CA -0.662 60.996 62.300 -1.070 0.000 1.097 41 V CB 0.038 31.583 31.823 -0.464 0.000 0.947 41 V HN 0.142 nan 8.190 nan 0.000 0.479 42 P HA 0.054 nan 4.420 nan 0.000 0.271 42 P C -0.054 177.274 177.300 0.047 0.000 1.220 42 P CA -0.154 62.830 63.100 -0.192 0.000 0.768 42 P CB 0.423 32.094 31.700 -0.049 0.000 0.848 43 W N 2.045 123.198 121.300 -0.244 0.000 2.467 43 W HA 0.033 4.711 4.660 0.031 0.000 0.275 43 W C 0.767 177.118 176.519 -0.279 0.000 1.239 43 W CA -0.005 57.079 57.345 -0.434 0.000 1.266 43 W CB -0.590 28.480 29.460 -0.651 0.000 1.112 43 W HN 0.256 nan 8.180 nan 0.000 0.576 44 C N 1.638 121.070 119.300 0.220 0.000 2.322 44 C HA 0.642 5.120 4.460 0.030 0.000 0.324 44 C C -0.541 174.520 174.990 0.119 0.000 1.249 44 C CA -0.896 58.257 59.018 0.225 0.000 1.453 44 C CB -1.237 26.696 27.740 0.321 0.000 2.145 44 C HN 0.216 nan 8.230 nan 0.000 0.466 45 Y N 2.934 123.206 120.300 -0.047 0.000 2.609 45 Y HA 0.734 5.302 4.550 0.030 0.000 0.342 45 Y C -1.128 174.693 175.900 -0.131 0.000 1.058 45 Y CA -1.542 56.498 58.100 -0.100 0.000 1.055 45 Y CB 0.371 38.835 38.460 0.008 0.000 1.292 45 Y HN 0.576 nan 8.280 nan 0.000 0.476 46 Y N 1.654 122.011 120.300 0.096 0.000 2.397 46 Y HA 0.289 4.857 4.550 0.030 0.000 0.335 46 Y C 1.089 176.974 175.900 -0.026 0.000 1.213 46 Y CA 0.216 58.276 58.100 -0.067 0.000 1.391 46 Y CB 0.815 39.189 38.460 -0.143 0.000 1.293 46 Y HN 0.780 nan 8.280 nan 0.000 0.557 47 S N 1.506 117.269 115.700 0.105 0.000 2.614 47 S HA 0.193 4.681 4.470 0.030 0.000 0.265 47 S C 0.732 175.422 174.600 0.150 0.000 1.303 47 S CA -0.847 57.414 58.200 0.102 0.000 1.000 47 S CB 0.998 64.255 63.200 0.095 0.000 0.935 47 S HN 0.745 nan 8.310 nan 0.000 0.551 48 K N 0.393 120.872 120.400 0.132 0.000 2.504 48 K HA 0.133 4.471 4.320 0.030 0.000 0.195 48 K C 0.097 176.768 176.600 0.118 0.000 1.036 48 K CA 0.437 56.796 56.287 0.120 0.000 0.984 48 K CB -0.066 32.492 32.500 0.097 0.000 0.788 48 K HN 0.476 nan 8.250 nan 0.000 0.488 49 N N 0.173 118.957 118.700 0.141 0.000 2.455 49 N HA 0.159 4.917 4.740 0.030 0.000 0.285 49 N C -1.937 173.697 175.510 0.206 0.000 1.080 49 N CA -0.395 52.741 53.050 0.144 0.000 0.932 49 N CB 1.289 39.830 38.487 0.090 0.000 1.610 49 N HN 0.186 nan 8.380 nan 0.000 0.493 50 H N 1.023 120.136 119.070 0.072 0.000 2.863 50 H HA 0.249 4.823 4.556 0.030 0.000 0.240 50 H C -0.261 175.113 175.328 0.077 0.000 1.324 50 H CA 0.571 56.660 56.048 0.069 0.000 1.480 50 H CB -0.405 29.421 29.762 0.106 0.000 1.804 50 H HN 0.854 nan 8.280 nan 0.000 0.450 51 S N -0.239 115.548 115.700 0.146 0.000 3.987 51 S HA -0.186 4.303 4.470 0.030 0.000 0.631 51 S C -1.183 173.431 174.600 0.022 0.000 1.997 51 S CA 0.251 58.589 58.200 0.230 0.000 3.434 51 S CB -1.321 62.129 63.200 0.417 0.000 0.267 51 S HN 0.918 nan 8.310 nan 0.000 0.911 52 Y N 3.374 123.794 120.300 0.200 0.000 2.528 52 Y HA 0.782 5.350 4.550 0.030 0.000 0.335 52 Y C 0.578 176.614 175.900 0.227 0.000 1.093 52 Y CA 0.175 58.361 58.100 0.143 0.000 1.134 52 Y CB 1.617 40.107 38.460 0.050 0.000 1.253 52 Y HN 1.036 nan 8.280 nan 0.000 0.478 53 H N -2.052 117.154 119.070 0.228 0.000 2.690 53 H HA 0.724 5.299 4.556 0.030 0.000 0.368 53 H C -1.497 173.927 175.328 0.160 0.000 1.150 53 H CA -1.334 54.826 56.048 0.187 0.000 1.174 53 H CB 0.738 30.562 29.762 0.103 0.000 1.684 53 H HN 0.357 nan 8.280 nan 0.000 0.538 54 V N 2.013 122.039 119.914 0.186 0.000 2.521 54 V HA 0.024 4.162 4.120 0.030 0.000 0.286 54 V C 0.397 176.537 176.094 0.077 0.000 1.034 54 V CA 0.113 62.468 62.300 0.091 0.000 1.045 54 V CB 0.445 32.358 31.823 0.150 0.000 0.974 54 V HN 0.812 nan 8.190 nan 0.000 0.480 55 E N 3.985 124.171 120.200 -0.022 0.000 2.146 55 E HA 0.567 4.935 4.350 0.030 0.000 0.282 55 E C 0.427 177.050 176.600 0.038 0.000 0.989 55 E CA 0.951 57.367 56.400 0.028 0.000 0.799 55 E CB 0.922 30.600 29.700 -0.036 0.000 1.088 55 E HN 1.007 nan 8.360 nan 0.000 0.397 56 G N 4.203 113.037 108.800 0.058 0.000 2.542 56 G HA2 -0.257 3.721 3.960 0.030 0.000 0.235 56 G HA3 -0.257 3.721 3.960 0.030 0.000 0.235 56 G C -0.592 174.329 174.900 0.036 0.000 1.286 56 G CA -0.348 44.776 45.100 0.040 0.000 0.904 56 G HN 0.621 nan 8.290 nan 0.000 0.577 57 N N -0.110 118.606 118.700 0.027 0.000 2.492 57 N HA 0.586 5.344 4.740 0.030 0.000 0.289 57 N C 0.195 175.722 175.510 0.028 0.000 1.133 57 N CA -0.662 52.400 53.050 0.021 0.000 0.961 57 N CB 1.163 39.658 38.487 0.015 0.000 1.186 57 N HN 0.493 nan 8.380 nan 0.000 0.493 58 L N 0.899 122.131 121.223 0.016 0.000 2.461 58 L HA 0.150 4.508 4.340 0.030 0.000 0.272 58 L C -0.027 176.877 176.870 0.057 0.000 1.197 58 L CA 0.121 54.983 54.840 0.036 0.000 0.836 58 L CB 0.434 42.443 42.059 -0.083 0.000 1.105 58 L HN 0.229 nan 8.230 nan 0.000 0.477 59 V N 3.669 123.654 119.914 0.118 0.000 2.409 59 V HA 0.343 4.481 4.120 0.030 0.000 0.291 59 V C 0.129 176.325 176.094 0.169 0.000 1.020 59 V CA -1.126 61.239 62.300 0.109 0.000 0.848 59 V CB 1.435 33.309 31.823 0.086 0.000 0.990 59 V HN 0.687 nan 8.190 nan 0.000 0.430 60 N N 3.267 122.054 118.700 0.145 0.000 2.458 60 N HA 0.205 4.963 4.740 0.030 0.000 0.258 60 N C 0.263 175.863 175.510 0.150 0.000 1.219 60 N CA 0.259 53.416 53.050 0.180 0.000 0.902 60 N CB 1.491 40.058 38.487 0.134 0.000 1.076 60 N HN 0.876 nan 8.380 nan 0.000 0.455 61 T N -1.372 113.286 114.554 0.172 0.000 2.910 61 T HA 0.289 4.657 4.350 0.030 0.000 0.287 61 T C 0.996 175.784 174.700 0.145 0.000 1.050 61 T CA -0.834 61.342 62.100 0.127 0.000 1.011 61 T CB 1.067 69.997 68.868 0.104 0.000 1.195 61 T HN 0.357 nan 8.240 nan 0.000 0.540 62 N N 0.039 118.810 118.700 0.119 0.000 2.149 62 N HA -0.060 4.698 4.740 0.030 0.000 0.188 62 N C 1.994 177.627 175.510 0.205 0.000 1.019 62 N CA 1.082 54.209 53.050 0.127 0.000 0.857 62 N CB -0.204 38.329 38.487 0.076 0.000 0.997 62 N HN 0.730 nan 8.380 nan 0.000 0.426 63 A N -0.335 122.631 122.820 0.243 0.000 2.021 63 A HA 0.391 4.729 4.320 0.030 0.000 0.216 63 A C 1.406 179.189 177.584 0.331 0.000 1.163 63 A CA 1.393 53.659 52.037 0.382 0.000 0.676 63 A CB 0.033 19.294 19.000 0.435 0.000 0.818 63 A HN 0.426 nan 8.150 nan 0.000 0.453 64 G N -1.710 107.254 108.800 0.274 0.000 2.483 64 G HA2 0.400 4.378 3.960 0.030 0.000 0.090 64 G HA3 0.400 4.378 3.960 0.030 0.000 0.090 64 G C -0.434 174.669 174.900 0.338 0.000 0.984 64 G CA 0.105 45.383 45.100 0.296 0.000 1.325 64 G HN 1.111 nan 8.290 nan 0.000 0.561 65 F N -0.021 119.965 119.950 0.060 0.000 2.741 65 F HA 0.796 5.341 4.527 0.030 0.000 0.311 65 F C -0.523 175.282 175.800 0.008 0.000 1.149 65 F CA -0.336 57.697 58.000 0.055 0.000 0.930 65 F CB 1.395 40.442 39.000 0.078 0.000 1.312 65 F HN 0.737 nan 8.300 nan 0.000 0.450 66 T N -0.273 114.419 114.554 0.229 0.000 2.924 66 T HA 0.952 5.320 4.350 0.030 0.000 0.291 66 T C -0.932 173.905 174.700 0.229 0.000 1.045 66 T CA -0.438 61.730 62.100 0.114 0.000 1.015 66 T CB 1.668 70.553 68.868 0.029 0.000 1.103 66 T HN 1.697 nan 8.240 nan 0.000 0.496 67 A N 1.600 124.499 122.820 0.131 0.000 2.486 67 A HA 0.783 5.122 4.320 0.030 0.000 0.300 67 A C -0.644 176.929 177.584 -0.018 0.000 1.048 67 A CA -1.162 50.930 52.037 0.092 0.000 0.696 67 A CB 1.388 20.476 19.000 0.147 0.000 1.278 67 A HN 0.845 nan 8.150 nan 0.000 0.405 68 R N 1.166 121.648 120.500 -0.030 0.000 2.265 68 R HA 0.582 4.940 4.340 0.030 0.000 0.319 68 R C -0.979 175.250 176.300 -0.118 0.000 1.006 68 R CA -0.195 55.858 56.100 -0.078 0.000 0.880 68 R CB 0.955 31.222 30.300 -0.054 0.000 1.077 68 R HN 0.610 nan 8.270 nan 0.000 0.454 69 L N 2.713 123.829 121.223 -0.178 0.000 2.317 69 L HA 0.519 4.877 4.340 0.030 0.000 0.281 69 L C -0.087 176.731 176.870 -0.087 0.000 1.024 69 L CA -0.804 53.926 54.840 -0.183 0.000 0.810 69 L CB 1.553 43.405 42.059 -0.346 0.000 1.240 69 L HN 0.438 nan 8.230 nan 0.000 0.427 70 K N 2.028 122.310 120.400 -0.196 0.000 2.292 70 K HA 0.266 4.604 4.320 0.030 0.000 0.257 70 K C -0.435 176.056 176.600 -0.182 0.000 0.940 70 K CA -0.773 55.390 56.287 -0.207 0.000 0.811 70 K CB 1.468 33.738 32.500 -0.383 0.000 1.120 70 K HN 0.430 nan 8.250 nan 0.000 0.428 71 N N 3.748 122.321 118.700 -0.211 0.000 2.440 71 N HA -0.009 4.750 4.740 0.030 0.000 0.265 71 N C -0.811 174.552 175.510 -0.246 0.000 1.239 71 N CA -0.126 52.568 53.050 -0.593 0.000 0.909 71 N CB 0.352 38.568 38.487 -0.452 0.000 1.066 71 N HN 0.380 nan 8.380 nan 0.000 0.474 72 L N 6.155 127.250 121.223 -0.215 0.000 2.385 72 L HA 0.306 4.664 4.340 0.030 0.000 0.281 72 L C -1.705 175.061 176.870 -0.173 0.000 1.106 72 L CA -1.660 53.128 54.840 -0.087 0.000 0.856 72 L CB -0.116 41.911 42.059 -0.053 0.000 1.186 72 L HN 0.541 nan 8.230 nan 0.000 0.453 73 P HA 0.036 nan 4.420 nan 0.000 0.261 73 P C -0.009 177.202 177.300 -0.148 0.000 1.165 73 P CA 0.559 63.587 63.100 -0.120 0.000 0.759 73 P CB 0.811 32.467 31.700 -0.074 0.000 0.772 74 S N 1.556 117.163 115.700 -0.155 0.000 2.752 74 S HA 0.467 4.955 4.470 0.030 0.000 0.284 74 S C -0.739 173.807 174.600 -0.090 0.000 1.189 74 S CA -0.604 57.503 58.200 -0.154 0.000 0.835 74 S CB 0.717 63.732 63.200 -0.307 0.000 1.192 74 S HN 0.219 nan 8.310 nan 0.000 0.506 75 S N 2.812 118.476 115.700 -0.061 0.000 2.549 75 S HA 0.303 4.791 4.470 0.030 0.000 0.286 75 S C -2.446 172.120 174.600 -0.057 0.000 1.314 75 S CA -0.357 57.811 58.200 -0.053 0.000 1.062 75 S CB 0.174 63.343 63.200 -0.051 0.000 0.865 75 S HN 0.445 nan 8.310 nan 0.000 0.498 76 P HA 0.257 nan 4.420 nan 0.000 0.251 76 P C 0.396 177.623 177.300 -0.122 0.000 1.718 76 P CA -0.304 62.764 63.100 -0.053 0.000 1.119 76 P CB 0.439 32.125 31.700 -0.023 0.000 1.762 77 V N 1.528 121.299 119.914 -0.239 0.000 2.300 77 V HA -0.039 4.099 4.120 0.030 0.000 0.241 77 V C 1.059 176.803 176.094 -0.583 0.000 1.034 77 V CA 1.540 63.517 62.300 -0.538 0.000 1.021 77 V CB -0.808 30.465 31.823 -0.916 0.000 0.662 77 V HN 0.291 nan 8.190 nan 0.000 0.458 78 F N 0.426 120.322 119.950 -0.090 0.000 2.963 78 F HA 0.632 5.178 4.527 0.031 0.000 0.321 78 F C 1.060 176.896 175.800 0.060 0.000 1.234 78 F CA 0.335 58.312 58.000 -0.038 0.000 1.296 78 F CB 0.269 39.170 39.000 -0.165 0.000 0.981 78 F HN 0.309 nan 8.300 nan 0.000 0.507 79 G N 0.036 108.922 108.800 0.143 0.000 2.545 79 G HA2 -0.236 3.742 3.960 0.030 0.000 0.216 79 G HA3 -0.236 3.742 3.960 0.030 0.000 0.216 79 G C -0.266 174.711 174.900 0.128 0.000 1.314 79 G CA -0.671 44.507 45.100 0.130 0.000 0.906 79 G HN 0.175 nan 8.290 nan 0.000 0.563 80 S N 1.217 116.991 115.700 0.124 0.000 2.643 80 S HA 0.176 4.664 4.470 0.030 0.000 0.329 80 S C 0.877 175.570 174.600 0.155 0.000 1.193 80 S CA 0.257 58.525 58.200 0.113 0.000 1.293 80 S CB -0.912 62.346 63.200 0.097 0.000 1.205 80 S HN 0.728 nan 8.310 nan 0.000 0.550 81 N N 3.250 122.033 118.700 0.138 0.000 2.444 81 N HA 0.121 4.879 4.740 0.030 0.000 0.255 81 N C -0.769 174.827 175.510 0.143 0.000 1.255 81 N CA -0.117 53.037 53.050 0.174 0.000 0.933 81 N CB 0.951 39.510 38.487 0.121 0.000 1.143 81 N HN 0.287 nan 8.380 nan 0.000 0.453 82 V N 3.362 123.383 119.914 0.178 0.000 2.311 82 V HA 0.103 4.241 4.120 0.030 0.000 0.275 82 V C 0.571 176.706 176.094 0.068 0.000 1.022 82 V CA -0.548 61.770 62.300 0.031 0.000 0.830 82 V CB 1.192 32.861 31.823 -0.257 0.000 1.012 82 V HN 0.653 nan 8.190 nan 0.000 0.452 83 D N 3.167 123.577 120.400 0.017 0.000 2.149 83 D HA -0.028 4.630 4.640 0.030 0.000 0.201 83 D C 0.494 176.808 176.300 0.025 0.000 0.972 83 D CA 1.368 55.376 54.000 0.013 0.000 0.835 83 D CB 0.213 41.005 40.800 -0.014 0.000 0.966 83 D HN 0.568 nan 8.370 nan 0.000 0.476 84 N N -0.191 118.488 118.700 -0.035 0.000 2.524 84 N HA 0.326 5.084 4.740 0.030 0.000 0.261 84 N C -1.244 174.167 175.510 -0.165 0.000 0.998 84 N CA -0.292 52.716 53.050 -0.070 0.000 0.915 84 N CB 2.723 41.168 38.487 -0.070 0.000 1.187 84 N HN -0.254 nan 8.380 nan 0.000 0.507 85 V N 2.393 122.182 119.914 -0.208 0.000 2.532 85 V HA 0.430 4.568 4.120 0.030 0.000 0.295 85 V C -0.423 175.509 176.094 -0.270 0.000 1.041 85 V CA -0.807 61.272 62.300 -0.368 0.000 0.926 85 V CB 1.684 33.150 31.823 -0.595 0.000 0.992 85 V HN 0.452 nan 8.190 nan 0.000 0.457 86 L N 5.319 126.403 121.223 -0.231 0.000 2.296 86 L HA 0.619 4.977 4.340 0.030 0.000 0.286 86 L C -0.733 176.038 176.870 -0.165 0.000 1.023 86 L CA -0.251 54.489 54.840 -0.166 0.000 0.812 86 L CB 1.419 43.405 42.059 -0.121 0.000 1.223 86 L HN 0.633 nan 8.230 nan 0.000 0.421 87 L N 4.921 126.049 121.223 -0.158 0.000 2.275 87 L HA 0.611 4.969 4.340 0.030 0.000 0.288 87 L C -0.543 176.245 176.870 -0.137 0.000 1.046 87 L CA 0.506 55.269 54.840 -0.128 0.000 0.805 87 L CB 1.350 43.343 42.059 -0.108 0.000 1.193 87 L HN 0.702 nan 8.230 nan 0.000 0.426 88 T N 5.308 119.739 114.554 -0.204 0.000 2.791 88 T HA 0.791 5.159 4.350 0.030 0.000 0.288 88 T C -0.441 173.975 174.700 -0.472 0.000 0.999 88 T CA -0.321 61.606 62.100 -0.288 0.000 0.952 88 T CB 1.260 69.994 68.868 -0.223 0.000 0.938 88 T HN 0.819 nan 8.240 nan 0.000 0.444 89 A N 3.556 125.955 122.820 -0.701 0.000 2.331 89 A HA 0.745 5.083 4.320 0.030 0.000 0.320 89 A C -0.390 176.763 177.584 -0.719 0.000 1.138 89 A CA -0.796 50.715 52.037 -0.878 0.000 0.790 89 A CB 0.897 19.111 19.000 -1.310 0.000 1.206 89 A HN 0.798 nan 8.150 nan 0.000 0.470 90 E N 1.315 121.110 120.200 -0.675 0.000 2.218 90 E HA 0.295 4.663 4.350 0.030 0.000 0.263 90 E C -1.757 174.664 176.600 -0.298 0.000 0.879 90 E CA -0.415 55.740 56.400 -0.409 0.000 0.762 90 E CB 1.531 31.034 29.700 -0.328 0.000 1.166 90 E HN 0.621 nan 8.360 nan 0.000 0.415 91 Y N 2.816 123.180 120.300 0.106 0.000 2.570 91 Y HA 0.021 4.589 4.550 0.030 0.000 0.336 91 Y C 1.411 177.347 175.900 0.059 0.000 1.284 91 Y CA 0.150 58.413 58.100 0.272 0.000 1.761 91 Y CB -0.115 38.496 38.460 0.252 0.000 1.724 91 Y HN 0.547 nan 8.280 nan 0.000 0.455 92 Q N 0.653 120.455 119.800 0.002 0.000 2.096 92 Q HA -0.027 4.331 4.340 0.030 0.000 0.197 92 Q C 0.854 176.890 176.000 0.060 0.000 0.964 92 Q CA 1.434 57.024 55.803 -0.355 0.000 0.838 92 Q CB 0.352 28.815 28.738 -0.459 0.000 0.906 92 Q HN 0.652 nan 8.270 nan 0.000 0.444 93 T N -5.130 109.541 114.554 0.195 0.000 2.787 93 T HA 0.266 4.634 4.350 0.030 0.000 0.297 93 T C 0.517 175.383 174.700 0.276 0.000 1.221 93 T CA -0.530 61.700 62.100 0.216 0.000 1.006 93 T CB 1.406 70.385 68.868 0.185 0.000 1.328 93 T HN -0.159 nan 8.240 nan 0.000 0.509 94 S N 0.654 116.472 115.700 0.197 0.000 2.440 94 S HA -0.048 4.440 4.470 0.030 0.000 0.238 94 S C 1.345 176.135 174.600 0.317 0.000 1.010 94 S CA 1.031 59.331 58.200 0.166 0.000 0.972 94 S CB -0.436 62.820 63.200 0.094 0.000 0.774 94 S HN 0.713 nan 8.310 nan 0.000 0.501 95 N N 0.094 118.999 118.700 0.342 0.000 2.171 95 N HA 0.127 4.885 4.740 0.030 0.000 0.212 95 N C 0.150 175.855 175.510 0.324 0.000 1.184 95 N CA 0.023 53.283 53.050 0.350 0.000 0.888 95 N CB 0.858 39.490 38.487 0.242 0.000 1.038 95 N HN 0.244 nan 8.380 nan 0.000 0.517 96 R N 0.770 121.457 120.500 0.312 0.000 2.483 96 R HA 0.252 4.610 4.340 0.030 0.000 0.303 96 R C -1.774 174.574 176.300 0.079 0.000 0.987 96 R CA -0.479 55.717 56.100 0.159 0.000 0.881 96 R CB 0.884 31.330 30.300 0.242 0.000 1.177 96 R HN -0.203 nan 8.270 nan 0.000 0.451 97 F N 3.787 123.506 119.950 -0.384 0.000 2.443 97 F HA 0.400 4.945 4.527 0.030 0.000 0.335 97 F C -0.947 174.689 175.800 -0.273 0.000 1.104 97 F CA -0.763 56.997 58.000 -0.401 0.000 1.013 97 F CB 1.132 39.673 39.000 -0.766 0.000 1.136 97 F HN 0.634 nan 8.300 nan 0.000 0.470 98 H N 6.580 124.951 119.070 -1.165 0.000 2.547 98 H HA 0.524 5.098 4.556 0.030 0.000 0.342 98 H C -1.702 172.830 175.328 -1.328 0.000 1.048 98 H CA -1.089 54.242 56.048 -1.194 0.000 1.204 98 H CB 0.997 30.229 29.762 -0.883 0.000 1.493 98 H HN 0.505 nan 8.280 nan 0.000 0.511 99 F N 3.106 122.160 119.950 -1.493 0.000 2.588 99 F HA 0.626 5.171 4.527 0.031 0.000 0.310 99 F C -1.674 173.616 175.800 -0.851 0.000 1.082 99 F CA -1.052 56.257 58.000 -1.152 0.000 0.929 99 F CB 1.605 40.145 39.000 -0.768 0.000 1.254 99 F HN 0.567 nan 8.300 nan 0.000 0.455 100 K N 3.806 123.887 120.400 -0.533 0.000 2.464 100 K HA 0.746 5.084 4.320 0.030 0.000 0.253 100 K C -2.259 174.274 176.600 -0.111 0.000 0.933 100 K CA -0.884 55.180 56.287 -0.372 0.000 0.801 100 K CB 2.600 34.861 32.500 -0.399 0.000 1.271 100 K HN 0.909 nan 8.250 nan 0.000 0.430 101 L N 2.819 124.033 121.223 -0.014 0.000 2.305 101 L HA 0.463 4.822 4.340 0.030 0.000 0.284 101 L C -0.262 176.708 176.870 0.166 0.000 1.013 101 L CA -0.419 54.464 54.840 0.072 0.000 0.819 101 L CB 1.875 44.040 42.059 0.178 0.000 1.227 101 L HN 0.995 nan 8.230 nan 0.000 0.417 102 T N -2.331 112.239 114.554 0.027 0.000 2.887 102 T HA 0.365 4.733 4.350 0.030 0.000 0.292 102 T C -0.824 173.753 174.700 -0.204 0.000 1.087 102 T CA -0.916 61.200 62.100 0.027 0.000 1.009 102 T CB 2.151 71.003 68.868 -0.025 0.000 1.203 102 T HN 0.326 nan 8.240 nan 0.000 0.518 103 D N 0.340 120.618 120.400 -0.203 0.000 2.317 103 D HA 0.137 4.795 4.640 0.030 0.000 0.252 103 D C 1.043 177.244 176.300 -0.165 0.000 1.174 103 D CA -0.063 53.761 54.000 -0.293 0.000 0.866 103 D CB 1.584 42.273 40.800 -0.185 0.000 1.127 103 D HN 0.673 nan 8.370 nan 0.000 0.467 104 Q N 1.832 121.530 119.800 -0.169 0.000 2.170 104 Q HA -0.135 4.223 4.340 0.030 0.000 0.203 104 Q C 1.057 177.013 176.000 -0.073 0.000 0.976 104 Q CA 1.520 57.257 55.803 -0.110 0.000 0.858 104 Q CB 0.271 28.946 28.738 -0.104 0.000 0.907 104 Q HN 0.647 nan 8.270 nan 0.000 0.433 105 T N -3.667 110.845 114.554 -0.069 0.000 3.132 105 T HA 0.308 4.676 4.350 0.030 0.000 0.274 105 T C -0.363 174.320 174.700 -0.029 0.000 1.011 105 T CA -0.476 61.599 62.100 -0.042 0.000 0.899 105 T CB 0.100 68.947 68.868 -0.036 0.000 1.089 105 T HN 0.060 nan 8.240 nan 0.000 0.543 106 N N 0.830 119.511 118.700 -0.030 0.000 2.369 106 N HA 0.313 5.071 4.740 0.030 0.000 0.287 106 N C -1.610 173.901 175.510 0.002 0.000 1.067 106 N CA -0.744 52.302 53.050 -0.007 0.000 0.888 106 N CB 1.394 39.885 38.487 0.006 0.000 1.616 106 N HN 0.171 nan 8.380 nan 0.000 0.482 107 N N 1.400 120.107 118.700 0.011 0.000 2.483 107 N HA 0.167 4.925 4.740 0.030 0.000 0.264 107 N C -0.552 174.988 175.510 0.049 0.000 1.197 107 N CA 0.234 53.294 53.050 0.016 0.000 0.927 107 N CB 0.817 39.311 38.487 0.011 0.000 1.065 107 N HN 0.241 nan 8.380 nan 0.000 0.461 108 R N 1.181 121.716 120.500 0.059 0.000 2.873 108 R HA 0.316 4.674 4.340 0.030 0.000 0.264 108 R C -0.727 175.638 176.300 0.108 0.000 1.026 108 R CA -0.924 55.247 56.100 0.118 0.000 1.002 108 R CB 1.224 31.625 30.300 0.168 0.000 1.174 108 R HN 0.430 nan 8.270 nan 0.000 0.488 109 F N 1.746 121.725 119.950 0.048 0.000 2.578 109 F HA 0.037 4.582 4.527 0.030 0.000 0.376 109 F C -0.292 175.507 175.800 -0.002 0.000 1.085 109 F CA 0.652 58.668 58.000 0.028 0.000 1.260 109 F CB 0.514 39.549 39.000 0.057 0.000 1.095 109 F HN 0.340 nan 8.300 nan 0.000 0.573 110 E N 4.421 124.022 120.200 -0.999 0.000 2.272 110 E HA 0.336 4.704 4.350 0.030 0.000 0.269 110 E C -1.144 174.792 176.600 -1.107 0.000 0.877 110 E CA -1.246 54.695 56.400 -0.764 0.000 0.755 110 E CB 2.258 31.730 29.700 -0.381 0.000 1.192 110 E HN 0.384 nan 8.360 nan 0.000 0.422 111 V N 4.102 123.637 119.914 -0.632 0.000 2.509 111 V HA 0.008 4.146 4.120 0.030 0.000 0.297 111 V C -1.728 174.130 176.094 -0.394 0.000 1.014 111 V CA -0.588 61.478 62.300 -0.390 0.000 1.127 111 V CB -0.240 31.560 31.823 -0.039 0.000 0.925 111 V HN 0.620 nan 8.190 nan 0.000 0.480 112 P HA 0.110 nan 4.420 nan 0.000 0.218 112 P C 0.112 177.083 177.300 -0.548 0.000 1.793 112 P CA -0.210 62.489 63.100 -0.667 0.000 0.941 112 P CB -0.227 30.755 31.700 -1.196 0.000 1.919 113 H N 2.089 120.990 119.070 -0.282 0.000 2.928 113 H HA -0.023 4.551 4.556 0.030 0.000 0.338 113 H C 1.203 176.563 175.328 0.054 0.000 1.047 113 H CA 0.629 56.634 56.048 -0.072 0.000 1.435 113 H CB 1.078 30.846 29.762 0.010 0.000 1.428 113 H HN 0.258 nan 8.280 nan 0.000 0.590 114 E N 3.776 124.031 120.200 0.092 0.000 2.072 114 E HA -0.199 4.170 4.350 0.030 0.000 0.190 114 E C 1.251 178.022 176.600 0.285 0.000 0.982 114 E CA 1.133 57.674 56.400 0.235 0.000 0.803 114 E CB 0.068 29.960 29.700 0.320 0.000 0.755 114 E HN 0.791 nan 8.360 nan 0.000 0.453 115 H N -0.307 118.964 119.070 0.335 0.000 2.344 115 H HA 0.134 4.708 4.556 0.030 0.000 0.307 115 H C 0.353 175.785 175.328 0.173 0.000 1.057 115 H CA 0.818 57.019 56.048 0.255 0.000 1.373 115 H CB 0.173 30.073 29.762 0.229 0.000 1.421 115 H HN -0.147 nan 8.280 nan 0.000 0.532 116 V N 3.079 123.174 119.914 0.301 0.000 2.540 116 V HA -0.018 4.120 4.120 0.030 0.000 0.297 116 V C 0.035 176.133 176.094 0.006 0.000 1.024 116 V CA 0.566 62.885 62.300 0.031 0.000 1.105 116 V CB 0.809 32.561 31.823 -0.119 0.000 0.938 116 V HN 0.484 nan 8.190 nan 0.000 0.482 117 Q N 2.582 122.363 119.800 -0.032 0.000 2.266 117 Q HA 0.438 4.796 4.340 0.030 0.000 0.261 117 Q C 0.138 176.150 176.000 0.020 0.000 0.985 117 Q CA -0.589 55.205 55.803 -0.015 0.000 0.873 117 Q CB 1.984 30.704 28.738 -0.031 0.000 1.306 117 Q HN 0.906 nan 8.270 nan 0.000 0.447 118 S N 0.766 116.478 115.700 0.020 0.000 2.559 118 S HA 0.082 4.570 4.470 0.030 0.000 0.282 118 S C -0.374 174.295 174.600 0.115 0.000 1.336 118 S CA -0.393 57.840 58.200 0.055 0.000 1.037 118 S CB 0.269 63.483 63.200 0.022 0.000 0.853 118 S HN 0.471 nan 8.310 nan 0.000 0.523 119 F N 2.562 122.507 119.950 -0.009 0.000 2.405 119 F HA 0.481 5.026 4.527 0.030 0.000 0.355 119 F C 0.399 176.205 175.800 0.011 0.000 1.121 119 F CA -0.642 57.363 58.000 0.007 0.000 1.112 119 F CB 1.070 40.088 39.000 0.030 0.000 1.126 119 F HN 0.712 nan 8.300 nan 0.000 0.481 120 S N 4.264 119.630 115.700 -0.557 0.000 2.130 120 S HA 0.777 5.265 4.470 0.030 0.000 0.165 120 S C -0.306 173.844 174.600 -0.750 0.000 1.677 120 S CA -0.287 57.611 58.200 -0.503 0.000 1.227 120 S CB 0.408 63.470 63.200 -0.229 0.000 1.115 120 S HN 0.966 nan 8.310 nan 0.000 0.452 121 G N 1.544 109.584 108.800 -1.267 0.000 2.949 121 G HA2 0.611 4.589 3.960 0.030 0.000 0.285 121 G HA3 0.611 4.589 3.960 0.030 0.000 0.285 121 G C -1.309 173.462 174.900 -0.215 0.000 1.395 121 G CA -0.942 43.728 45.100 -0.717 0.000 0.901 121 G HN 0.430 nan 8.290 nan 0.000 0.519 122 N N 0.063 118.783 118.700 0.033 0.000 2.508 122 N HA 0.539 5.298 4.740 0.030 0.000 0.285 122 N C 0.562 176.268 175.510 0.326 0.000 1.144 122 N CA 0.012 53.161 53.050 0.165 0.000 0.978 122 N CB 1.547 40.095 38.487 0.102 0.000 1.180 122 N HN 0.773 nan 8.380 nan 0.000 0.484 123 A N 0.797 123.816 122.820 0.331 0.000 2.598 123 A HA 0.320 4.658 4.320 0.030 0.000 0.239 123 A C 0.624 178.346 177.584 0.230 0.000 1.032 123 A CA 0.048 52.293 52.037 0.346 0.000 0.760 123 A CB -0.507 18.683 19.000 0.317 0.000 0.946 123 A HN 0.737 nan 8.150 nan 0.000 0.512 124 A N 2.179 125.138 122.820 0.232 0.000 2.386 124 A HA 0.586 4.925 4.320 0.030 0.000 0.248 124 A C 0.880 178.491 177.584 0.044 0.000 1.082 124 A CA 0.253 52.380 52.037 0.151 0.000 0.789 124 A CB -0.023 19.078 19.000 0.169 0.000 1.025 124 A HN 2.232 nan 8.150 nan 0.000 0.490 125 A N 0.381 123.218 122.820 0.028 0.000 2.252 125 A HA 0.613 4.951 4.320 0.030 0.000 0.305 125 A C 0.820 178.380 177.584 -0.041 0.000 1.097 125 A CA 0.216 52.241 52.037 -0.020 0.000 0.849 125 A CB -0.232 18.767 19.000 -0.002 0.000 1.142 125 A HN 2.119 nan 8.150 nan 0.000 0.499 126 S N -1.078 114.582 115.700 -0.067 0.000 3.608 126 S HA -0.125 4.363 4.470 0.030 0.000 0.382 126 S C -0.055 174.489 174.600 -0.093 0.000 0.945 126 S CA 0.604 58.765 58.200 -0.066 0.000 1.256 126 S CB -2.034 61.150 63.200 -0.025 0.000 0.913 126 S HN 0.588 nan 8.310 nan 0.000 0.518 127 L N 1.296 122.405 121.223 -0.191 0.000 2.416 127 L HA 0.209 4.567 4.340 0.030 0.000 0.272 127 L C 1.925 178.652 176.870 -0.238 0.000 1.161 127 L CA 0.296 54.939 54.840 -0.328 0.000 0.845 127 L CB 0.477 42.136 42.059 -0.666 0.000 1.119 127 L HN 0.603 nan 8.230 nan 0.000 0.464 128 T N -1.481 113.002 114.554 -0.118 0.000 3.100 128 T HA 0.050 4.418 4.350 0.030 0.000 0.253 128 T C 0.069 174.804 174.700 0.058 0.000 1.118 128 T CA 0.087 62.196 62.100 0.014 0.000 1.058 128 T CB -0.283 68.657 68.868 0.120 0.000 0.953 128 T HN 0.493 nan 8.240 nan 0.000 0.515 129 Y N -0.600 119.696 120.300 -0.006 0.000 2.570 129 Y HA 0.779 5.348 4.550 0.030 0.000 0.345 129 Y C -0.516 175.340 175.900 -0.074 0.000 1.014 129 Y CA -1.807 56.268 58.100 -0.042 0.000 1.063 129 Y CB 1.398 39.835 38.460 -0.039 0.000 1.272 129 Y HN 0.043 nan 8.280 nan 0.000 0.477 130 Q N 1.386 121.213 119.800 0.046 0.000 2.377 130 Q HA 0.750 5.108 4.340 0.030 0.000 0.271 130 Q C -2.064 173.936 176.000 0.001 0.000 1.077 130 Q CA -1.136 54.654 55.803 -0.023 0.000 0.820 130 Q CB 2.652 31.353 28.738 -0.062 0.000 1.347 130 Q HN 0.783 nan 8.270 nan 0.000 0.444 131 V N 2.830 122.741 119.914 -0.005 0.000 2.448 131 V HA 0.431 4.570 4.120 0.030 0.000 0.295 131 V C -1.097 174.963 176.094 -0.057 0.000 1.025 131 V CA -0.694 61.549 62.300 -0.095 0.000 0.859 131 V CB 1.646 33.383 31.823 -0.143 0.000 0.988 131 V HN 0.786 nan 8.190 nan 0.000 0.431 132 E N 4.692 124.836 120.200 -0.093 0.000 2.199 132 E HA 0.628 4.996 4.350 0.030 0.000 0.265 132 E C -1.116 175.418 176.600 -0.111 0.000 0.882 132 E CA -0.454 55.888 56.400 -0.098 0.000 0.759 132 E CB 2.035 31.681 29.700 -0.090 0.000 1.148 132 E HN 0.399 nan 8.360 nan 0.000 0.412 133 I N 1.921 122.423 120.570 -0.114 0.000 2.404 133 I HA 0.392 4.580 4.170 0.030 0.000 0.293 133 I C -0.139 175.932 176.117 -0.077 0.000 0.992 133 I CA -0.673 60.572 61.300 -0.091 0.000 1.149 133 I CB 1.543 39.522 38.000 -0.036 0.000 1.315 133 I HN 0.361 nan 8.210 nan 0.000 0.446 134 S N 5.781 121.423 115.700 -0.096 0.000 2.549 134 S HA 0.526 5.014 4.470 0.030 0.000 0.297 134 S C 1.022 175.649 174.600 0.046 0.000 1.115 134 S CA -0.679 57.495 58.200 -0.044 0.000 1.059 134 S CB 2.626 65.782 63.200 -0.074 0.000 1.046 134 S HN 0.513 nan 8.310 nan 0.000 0.506 135 R N 0.491 121.039 120.500 0.079 0.000 2.123 135 R HA 0.160 4.518 4.340 0.030 0.000 0.209 135 R C -0.294 176.118 176.300 0.187 0.000 1.078 135 R CA 0.633 56.821 56.100 0.147 0.000 1.028 135 R CB 0.229 30.591 30.300 0.103 0.000 0.939 135 R HN 0.564 nan 8.270 nan 0.000 0.463 136 Q N 1.333 121.208 119.800 0.125 0.000 2.891 136 Q HA 0.341 4.699 4.340 0.030 0.000 0.242 136 Q C -2.428 173.624 176.000 0.087 0.000 0.959 136 Q CA -1.495 54.380 55.803 0.120 0.000 0.707 136 Q CB 1.962 30.742 28.738 0.070 0.000 1.283 136 Q HN 0.190 nan 8.270 nan 0.000 0.480 137 P HA 0.347 nan 4.420 nan 0.000 0.280 137 P C -0.407 177.012 177.300 0.198 0.000 1.272 137 P CA -0.740 62.472 63.100 0.187 0.000 0.819 137 P CB 0.890 32.698 31.700 0.179 0.000 1.122 138 F N 1.525 121.563 119.950 0.146 0.000 2.608 138 F HA 0.262 4.807 4.527 0.030 0.000 0.380 138 F C 0.205 176.056 175.800 0.085 0.000 1.083 138 F CA 0.877 58.944 58.000 0.113 0.000 1.266 138 F CB 0.306 39.386 39.000 0.134 0.000 1.076 138 F HN 0.444 nan 8.300 nan 0.000 0.574 139 S N 7.056 122.212 115.700 -0.908 0.000 2.550 139 S HA 0.618 5.106 4.470 0.030 0.000 0.270 139 S C -1.273 172.755 174.600 -0.954 0.000 1.145 139 S CA -1.026 56.627 58.200 -0.911 0.000 0.852 139 S CB 1.591 64.581 63.200 -0.350 0.000 1.119 139 S HN 0.906 nan 8.310 nan 0.000 0.465 140 I N 1.492 121.648 120.570 -0.690 0.000 2.465 140 I HA 0.649 4.837 4.170 0.030 0.000 0.291 140 I C -0.953 175.062 176.117 -0.170 0.000 1.014 140 I CA -0.505 60.554 61.300 -0.401 0.000 1.093 140 I CB 1.472 39.187 38.000 -0.475 0.000 1.267 140 I HN 0.831 nan 8.210 nan 0.000 0.431 141 K N 6.550 126.867 120.400 -0.140 0.000 2.378 141 K HA 0.650 4.988 4.320 0.030 0.000 0.252 141 K C -1.968 174.573 176.600 -0.098 0.000 0.931 141 K CA -0.659 55.588 56.287 -0.067 0.000 0.794 141 K CB 2.280 34.726 32.500 -0.090 0.000 1.181 141 K HN 0.460 nan 8.250 nan 0.000 0.425 142 V N 3.085 122.964 119.914 -0.058 0.000 2.444 142 V HA 0.370 4.508 4.120 0.030 0.000 0.294 142 V C -0.251 175.780 176.094 -0.105 0.000 1.022 142 V CA -0.727 61.496 62.300 -0.127 0.000 0.850 142 V CB 1.549 33.270 31.823 -0.169 0.000 0.992 142 V HN 0.969 nan 8.190 nan 0.000 0.426 143 T N 1.793 116.302 114.554 -0.074 0.000 2.885 143 T HA 0.622 4.990 4.350 0.030 0.000 0.285 143 T C -0.341 174.344 174.700 -0.024 0.000 1.019 143 T CA -0.878 61.181 62.100 -0.068 0.000 1.010 143 T CB 1.869 70.703 68.868 -0.058 0.000 1.022 143 T HN 0.611 nan 8.240 nan 0.000 0.466 144 R N 1.305 121.782 120.500 -0.038 0.000 2.267 144 R HA 0.314 4.672 4.340 0.030 0.000 0.319 144 R C 1.512 177.810 176.300 -0.003 0.000 1.067 144 R CA -0.533 55.568 56.100 0.003 0.000 0.936 144 R CB 0.452 30.749 30.300 -0.005 0.000 1.006 144 R HN 0.824 nan 8.270 nan 0.000 0.452 145 R N 1.686 122.186 120.500 0.001 0.000 2.073 145 R HA -0.161 4.197 4.340 0.030 0.000 0.234 145 R C 2.082 178.373 176.300 -0.015 0.000 1.134 145 R CA 2.326 58.413 56.100 -0.023 0.000 0.952 145 R CB -0.069 30.205 30.300 -0.045 0.000 0.850 145 R HN 0.869 nan 8.270 nan 0.000 0.433 146 S N 1.214 116.913 115.700 -0.002 0.000 2.359 146 S HA -0.203 4.285 4.470 0.030 0.000 0.223 146 S C 1.308 175.910 174.600 0.004 0.000 1.039 146 S CA 1.647 59.850 58.200 0.004 0.000 1.042 146 S CB -0.495 62.714 63.200 0.016 0.000 0.915 146 S HN 0.604 nan 8.310 nan 0.000 0.439 147 N N 0.552 119.255 118.700 0.004 0.000 2.177 147 N HA 0.152 4.910 4.740 0.030 0.000 0.218 147 N C -0.314 175.192 175.510 -0.006 0.000 1.182 147 N CA 0.156 53.209 53.050 0.004 0.000 0.882 147 N CB -1.363 37.132 38.487 0.014 0.000 1.052 147 N HN 0.631 nan 8.380 nan 0.000 0.519 148 N N -0.053 118.638 118.700 -0.015 0.000 2.696 148 N HA -0.279 4.479 4.740 0.030 0.000 0.249 148 N C -0.751 174.740 175.510 -0.032 0.000 1.090 148 N CA 0.290 53.325 53.050 -0.025 0.000 0.716 148 N CB -0.725 37.747 38.487 -0.025 0.000 1.020 148 N HN 0.385 nan 8.380 nan 0.000 0.548 149 R N 0.829 121.310 120.500 -0.032 0.000 2.401 149 R HA 0.258 4.616 4.340 0.030 0.000 0.299 149 R C -0.482 175.770 176.300 -0.080 0.000 1.064 149 R CA -0.177 55.897 56.100 -0.043 0.000 1.000 149 R CB 0.694 30.975 30.300 -0.033 0.000 0.973 149 R HN 0.014 nan 8.270 nan 0.000 0.438 150 V N 8.036 127.901 119.914 -0.082 0.000 2.470 150 V HA 0.024 4.162 4.120 0.030 0.000 0.276 150 V C 1.163 177.152 176.094 -0.175 0.000 1.040 150 V CA 0.161 62.396 62.300 -0.109 0.000 1.008 150 V CB 0.651 32.423 31.823 -0.085 0.000 0.990 150 V HN 0.806 nan 8.190 nan 0.000 0.477 151 L N 4.376 125.433 121.223 -0.278 0.000 2.276 151 L HA 0.339 4.697 4.340 0.030 0.000 0.194 151 L C 0.616 177.266 176.870 -0.366 0.000 1.099 151 L CA 0.688 55.162 54.840 -0.610 0.000 0.800 151 L CB 0.006 41.426 42.059 -1.064 0.000 0.994 151 L HN 0.460 nan 8.230 nan 0.000 0.475 152 F N 0.857 120.620 119.950 -0.311 0.000 2.436 152 F HA 0.384 4.929 4.527 0.030 0.000 0.340 152 F C -0.721 175.001 175.800 -0.129 0.000 1.113 152 F CA -0.630 57.303 58.000 -0.113 0.000 1.022 152 F CB 1.204 40.169 39.000 -0.058 0.000 1.128 152 F HN -0.107 nan 8.300 nan 0.000 0.466 153 D N 2.730 123.007 120.400 -0.205 0.000 2.319 153 D HA 0.092 4.750 4.640 0.030 0.000 0.237 153 D C 0.243 176.418 176.300 -0.208 0.000 1.353 153 D CA -0.083 53.841 54.000 -0.127 0.000 0.992 153 D CB 1.131 41.859 40.800 -0.120 0.000 1.368 153 D HN 0.439 nan 8.370 nan 0.000 0.564 154 S N 1.162 116.782 115.700 -0.133 0.000 2.547 154 S HA -0.143 4.345 4.470 0.030 0.000 0.235 154 S C 1.752 176.287 174.600 -0.109 0.000 0.980 154 S CA 0.939 59.065 58.200 -0.124 0.000 0.941 154 S CB -0.304 62.889 63.200 -0.012 0.000 0.763 154 S HN 0.361 nan 8.310 nan 0.000 0.532 155 S N 1.369 116.999 115.700 -0.118 0.000 2.507 155 S HA 0.056 4.544 4.470 0.030 0.000 0.235 155 S C 1.561 176.136 174.600 -0.042 0.000 0.988 155 S CA 0.535 58.686 58.200 -0.082 0.000 0.944 155 S CB -0.834 62.317 63.200 -0.082 0.000 0.762 155 S HN 0.620 nan 8.310 nan 0.000 0.526 156 I N 1.304 121.841 120.570 -0.054 0.000 2.454 156 I HA 0.110 4.298 4.170 0.030 0.000 0.254 156 I C 1.129 177.257 176.117 0.019 0.000 1.156 156 I CA 0.970 62.255 61.300 -0.025 0.000 1.433 156 I CB -0.357 37.609 38.000 -0.056 0.000 1.082 156 I HN 0.526 nan 8.210 nan 0.000 0.432 157 G N -0.308 108.497 108.800 0.008 0.000 2.788 157 G HA2 0.484 4.462 3.960 0.030 0.000 0.293 157 G HA3 0.484 4.462 3.960 0.030 0.000 0.293 157 G C -2.905 171.991 174.900 -0.007 0.000 1.392 157 G CA -0.747 44.364 45.100 0.020 0.000 0.810 157 G HN -0.113 nan 8.290 nan 0.000 0.508 158 P HA 0.371 nan 4.420 nan 0.000 0.274 158 P C -0.790 176.572 177.300 0.103 0.000 1.246 158 P CA -0.484 62.606 63.100 -0.017 0.000 0.795 158 P CB 1.597 33.144 31.700 -0.256 0.000 1.006 159 L N 1.711 123.105 121.223 0.285 0.000 2.276 159 L HA 0.372 4.730 4.340 0.030 0.000 0.286 159 L C -0.899 176.218 176.870 0.413 0.000 1.061 159 L CA -0.134 54.904 54.840 0.331 0.000 0.807 159 L CB -0.226 42.054 42.059 0.369 0.000 1.177 159 L HN 0.183 nan 8.230 nan 0.000 0.429 160 L N 6.248 127.666 121.223 0.325 0.000 2.346 160 L HA 0.510 4.868 4.340 0.030 0.000 0.276 160 L C -0.914 176.207 176.870 0.417 0.000 1.006 160 L CA -0.346 54.753 54.840 0.431 0.000 0.817 160 L CB 1.665 43.985 42.059 0.435 0.000 1.272 160 L HN 0.662 nan 8.230 nan 0.000 0.421 161 F N 2.928 123.088 119.950 0.351 0.000 3.167 161 F HA 0.601 5.146 4.527 0.030 0.000 0.389 161 F C -0.116 175.838 175.800 0.256 0.000 1.233 161 F CA -0.539 57.596 58.000 0.225 0.000 1.238 161 F CB 0.753 39.792 39.000 0.065 0.000 1.971 161 F HN 0.557 nan 8.300 nan 0.000 0.651 162 A N 2.095 125.245 122.820 0.551 0.000 2.281 162 A HA 0.291 4.629 4.320 0.030 0.000 0.329 162 A C 0.824 178.654 177.584 0.411 0.000 1.122 162 A CA -0.244 52.062 52.037 0.448 0.000 0.850 162 A CB 0.864 20.097 19.000 0.388 0.000 1.207 162 A HN 0.702 nan 8.150 nan 0.000 0.495 163 D N -0.524 120.069 120.400 0.323 0.000 2.203 163 D HA -0.172 4.486 4.640 0.030 0.000 0.199 163 D C 1.014 177.461 176.300 0.245 0.000 0.997 163 D CA 2.135 56.296 54.000 0.270 0.000 0.863 163 D CB 0.193 41.105 40.800 0.186 0.000 0.928 163 D HN 0.578 nan 8.370 nan 0.000 0.458 164 Q N -1.589 118.372 119.800 0.269 0.000 2.089 164 Q HA 0.210 4.568 4.340 0.030 0.000 0.248 164 Q C -1.077 175.131 176.000 0.347 0.000 0.828 164 Q CA -0.334 55.642 55.803 0.288 0.000 1.102 164 Q CB 1.119 30.019 28.738 0.270 0.000 1.221 164 Q HN 0.192 nan 8.270 nan 0.000 0.455 165 F N 1.121 121.142 119.950 0.119 0.000 2.991 165 F HA 0.375 4.920 4.527 0.030 0.000 0.355 165 F C -2.273 173.532 175.800 0.009 0.000 1.262 165 F CA -0.797 57.228 58.000 0.041 0.000 1.127 165 F CB 1.033 40.092 39.000 0.100 0.000 1.447 165 F HN -0.148 nan 8.300 nan 0.000 0.584 166 L N 5.280 126.224 121.223 -0.466 0.000 2.362 166 L HA 0.654 5.012 4.340 0.030 0.000 0.275 166 L C -0.826 175.763 176.870 -0.467 0.000 0.998 166 L CA -0.429 54.164 54.840 -0.413 0.000 0.820 166 L CB 2.113 43.859 42.059 -0.522 0.000 1.270 166 L HN 0.636 nan 8.230 nan 0.000 0.415 167 Q N 2.904 122.570 119.800 -0.224 0.000 2.284 167 Q HA 0.743 5.101 4.340 0.030 0.000 0.269 167 Q C -2.150 173.896 176.000 0.078 0.000 1.026 167 Q CA -0.691 55.043 55.803 -0.115 0.000 0.831 167 Q CB 2.631 31.296 28.738 -0.120 0.000 1.322 167 Q HN 0.572 nan 8.270 nan 0.000 0.419 168 L N 1.837 123.164 121.223 0.173 0.000 2.422 168 L HA 0.660 5.018 4.340 0.030 0.000 0.264 168 L C -1.389 175.587 176.870 0.177 0.000 0.984 168 L CA -0.052 54.919 54.840 0.219 0.000 0.819 168 L CB 2.691 44.962 42.059 0.354 0.000 1.330 168 L HN 0.713 nan 8.230 nan 0.000 0.410 169 S N 1.118 116.856 115.700 0.064 0.000 2.664 169 S HA 0.844 5.332 4.470 0.030 0.000 0.304 169 S C -0.726 173.744 174.600 -0.215 0.000 1.099 169 S CA -0.616 57.561 58.200 -0.038 0.000 1.003 169 S CB 1.831 65.008 63.200 -0.037 0.000 1.092 169 S HN 0.710 nan 8.310 nan 0.000 0.525 170 T N 0.859 115.218 114.554 -0.326 0.000 2.971 170 T HA 0.392 4.760 4.350 0.030 0.000 0.304 170 T C -0.696 173.816 174.700 -0.314 0.000 1.038 170 T CA -0.766 61.013 62.100 -0.535 0.000 1.007 170 T CB 0.626 68.812 68.868 -1.136 0.000 1.055 170 T HN 0.555 nan 8.240 nan 0.000 0.451 171 R N 2.593 122.943 120.500 -0.249 0.000 2.784 171 R HA 0.494 4.852 4.340 0.030 0.000 0.266 171 R C -0.365 175.859 176.300 -0.127 0.000 1.044 171 R CA -0.192 55.805 56.100 -0.171 0.000 1.151 171 R CB 0.353 30.574 30.300 -0.132 0.000 1.037 171 R HN 0.494 nan 8.270 nan 0.000 0.478 172 L N 2.079 123.254 121.223 -0.079 0.000 2.401 172 L HA 0.324 4.682 4.340 0.030 0.000 0.266 172 L C -1.538 175.340 176.870 0.013 0.000 0.991 172 L CA -1.963 52.891 54.840 0.024 0.000 0.818 172 L CB 2.771 44.807 42.059 -0.038 0.000 1.321 172 L HN 0.500 nan 8.230 nan 0.000 0.413 173 P HA -0.019 nan 4.420 nan 0.000 0.241 173 P C -0.015 177.299 177.300 0.023 0.000 1.191 173 P CA 0.543 63.666 63.100 0.038 0.000 0.771 173 P CB 0.457 32.194 31.700 0.061 0.000 0.929 174 S N -2.164 113.540 115.700 0.006 0.000 2.636 174 S HA 0.327 4.815 4.470 0.030 0.000 0.268 174 S C 0.400 174.944 174.600 -0.094 0.000 1.159 174 S CA -0.153 58.023 58.200 -0.039 0.000 0.815 174 S CB 0.697 63.855 63.200 -0.069 0.000 1.130 174 S HN -0.032 nan 8.310 nan 0.000 0.471 175 T N -1.235 113.257 114.554 -0.103 0.000 3.163 175 T HA 0.256 4.624 4.350 0.030 0.000 0.252 175 T C -0.083 174.482 174.700 -0.225 0.000 1.056 175 T CA -0.322 61.687 62.100 -0.151 0.000 0.947 175 T CB -0.853 67.956 68.868 -0.098 0.000 1.016 175 T HN 0.510 nan 8.240 nan 0.000 0.554 176 N N 2.333 120.876 118.700 -0.262 0.000 2.968 176 N HA 0.300 5.058 4.740 0.030 0.000 0.271 176 N C -1.054 174.076 175.510 -0.633 0.000 1.174 176 N CA -0.053 52.752 53.050 -0.408 0.000 1.096 176 N CB 1.010 39.278 38.487 -0.365 0.000 1.403 176 N HN 0.255 nan 8.380 nan 0.000 0.522 177 V N 2.404 121.811 119.914 -0.845 0.000 2.448 177 V HA 0.444 4.582 4.120 0.030 0.000 0.295 177 V C -0.842 174.722 176.094 -0.884 0.000 1.025 177 V CA -0.662 61.240 62.300 -0.663 0.000 0.859 177 V CB 0.710 32.235 31.823 -0.497 0.000 0.988 177 V HN 0.308 nan 8.190 nan 0.000 0.431 178 Y N 2.334 122.537 120.300 -0.162 0.000 2.442 178 Y HA 0.885 5.454 4.550 0.030 0.000 0.344 178 Y C 0.616 176.445 175.900 -0.118 0.000 0.976 178 Y CA 0.022 57.946 58.100 -0.293 0.000 1.040 178 Y CB 2.427 40.594 38.460 -0.488 0.000 1.228 178 Y HN 0.974 nan 8.280 nan 0.000 0.451 179 G N 0.914 109.783 108.800 0.115 0.000 2.298 179 G HA2 0.254 4.232 3.960 0.030 0.000 0.309 179 G HA3 0.254 4.232 3.960 0.030 0.000 0.309 179 G C -1.572 173.570 174.900 0.403 0.000 1.279 179 G CA -0.676 44.579 45.100 0.258 0.000 1.042 179 G HN 1.019 nan 8.290 nan 0.000 0.480 180 L N -1.911 119.580 121.223 0.447 0.000 0.588 180 L HA 0.229 4.587 4.340 0.030 0.000 0.356 180 L C 0.777 177.865 176.870 0.363 0.000 1.005 180 L CA 0.884 55.899 54.840 0.291 0.000 1.223 180 L CB -1.017 41.103 42.059 0.102 0.000 0.021 180 L HN 2.631 nan 8.230 nan 0.000 0.093 181 G N 1.051 109.803 108.800 -0.079 0.000 2.441 181 G HA2 0.480 4.458 3.960 0.030 0.000 0.294 181 G HA3 0.480 4.458 3.960 0.030 0.000 0.294 181 G C -1.987 172.580 174.900 -0.555 0.000 1.393 181 G CA -0.359 44.476 45.100 -0.443 0.000 0.796 181 G HN 0.782 nan 8.290 nan 0.000 0.494 182 E N 0.164 120.086 120.200 -0.464 0.000 2.200 182 E HA 0.554 4.922 4.350 0.030 0.000 0.283 182 E C -0.682 175.612 176.600 -0.510 0.000 1.015 182 E CA -0.608 55.604 56.400 -0.312 0.000 0.819 182 E CB 0.446 30.202 29.700 0.094 0.000 1.081 182 E HN 0.537 nan 8.360 nan 0.000 0.397 183 H N 1.491 120.488 119.070 -0.120 0.000 2.990 183 H HA 0.264 4.838 4.556 0.030 0.000 0.343 183 H C -0.985 174.137 175.328 -0.343 0.000 1.270 183 H CA -0.833 55.080 56.048 -0.226 0.000 1.118 183 H CB 1.298 30.862 29.762 -0.330 0.000 1.861 183 H HN 0.195 nan 8.280 nan 0.000 0.544 184 V N 2.179 122.056 119.914 -0.062 0.000 2.304 184 V HA 0.054 4.193 4.120 0.030 0.000 0.262 184 V C 0.737 176.716 176.094 -0.191 0.000 1.061 184 V CA 0.004 62.221 62.300 -0.140 0.000 0.872 184 V CB -0.421 31.335 31.823 -0.112 0.000 1.077 184 V HN 0.746 nan 8.190 nan 0.000 0.480 185 H N 2.663 121.629 119.070 -0.173 0.000 2.535 185 H HA -0.013 4.561 4.556 0.031 0.000 0.273 185 H C 1.501 176.706 175.328 -0.206 0.000 0.983 185 H CA 0.646 56.531 56.048 -0.272 0.000 1.238 185 H CB 0.263 29.725 29.762 -0.499 0.000 1.412 185 H HN 0.760 nan 8.280 nan 0.000 0.562 186 Q N -1.249 118.440 119.800 -0.185 0.000 3.582 186 Q HA -0.269 4.089 4.340 0.030 0.000 0.212 186 Q C 0.096 176.057 176.000 -0.065 0.000 2.682 186 Q CA 1.690 57.348 55.803 -0.242 0.000 0.372 186 Q CB -0.835 27.676 28.738 -0.380 0.000 0.312 186 Q HN 0.516 nan 8.270 nan 0.000 0.562 187 Q N -1.154 118.542 119.800 -0.173 0.000 2.240 187 Q HA 0.401 4.759 4.340 0.030 0.000 0.260 187 Q C 0.078 175.977 176.000 -0.169 0.000 1.018 187 Q CA -0.265 55.285 55.803 -0.422 0.000 0.898 187 Q CB 0.737 29.261 28.738 -0.357 0.000 1.301 187 Q HN 0.237 nan 8.270 nan 0.000 0.469 188 Y N 0.517 120.693 120.300 -0.205 0.000 2.301 188 Y HA 0.167 4.736 4.550 0.030 0.000 0.295 188 Y C 0.546 176.450 175.900 0.006 0.000 1.126 188 Y CA 0.619 58.720 58.100 0.002 0.000 1.154 188 Y CB 0.589 39.154 38.460 0.175 0.000 1.075 188 Y HN 0.407 nan 8.280 nan 0.000 0.534 189 R N 1.557 122.040 120.500 -0.028 0.000 2.370 189 R HA 0.034 4.392 4.340 0.030 0.000 0.309 189 R C -1.095 174.995 176.300 -0.350 0.000 1.059 189 R CA -0.123 55.819 56.100 -0.263 0.000 0.981 189 R CB -0.133 30.145 30.300 -0.036 0.000 0.972 189 R HN 0.321 nan 8.270 nan 0.000 0.437 190 H N 2.582 121.380 119.070 -0.454 0.000 3.091 190 H HA -0.076 4.498 4.556 0.030 0.000 0.289 190 H C -0.291 174.895 175.328 -0.237 0.000 0.995 190 H CA 0.442 56.278 56.048 -0.354 0.000 1.461 190 H CB 0.408 29.906 29.762 -0.439 0.000 1.510 190 H HN 0.520 nan 8.280 nan 0.000 0.546 191 D N 4.612 124.990 120.400 -0.036 0.000 2.661 191 D HA -0.130 4.528 4.640 0.030 0.000 0.283 191 D C 0.474 176.759 176.300 -0.025 0.000 1.470 191 D CA 0.200 54.196 54.000 -0.007 0.000 1.126 191 D CB 0.289 41.113 40.800 0.041 0.000 1.145 191 D HN 0.458 nan 8.370 nan 0.000 0.572 192 M N 1.837 121.371 119.600 -0.110 0.000 2.682 192 M HA 0.021 4.519 4.480 0.030 0.000 0.235 192 M C 0.414 176.555 176.300 -0.264 0.000 1.114 192 M CA 0.119 55.296 55.300 -0.205 0.000 1.053 192 M CB -1.323 31.137 32.600 -0.234 0.000 1.599 192 M HN 0.275 nan 8.290 nan 0.000 0.520 193 N N -0.826 117.768 118.700 -0.177 0.000 2.354 193 N HA 0.011 4.769 4.740 0.030 0.000 0.246 193 N C -0.964 174.435 175.510 -0.186 0.000 1.285 193 N CA -0.540 52.394 53.050 -0.193 0.000 0.925 193 N CB 0.415 38.887 38.487 -0.024 0.000 1.174 193 N HN 0.155 nan 8.380 nan 0.000 0.478 194 W N 1.409 122.654 121.300 -0.092 0.000 2.712 194 W HA 0.076 4.754 4.660 0.030 0.000 0.345 194 W C 0.331 176.759 176.519 -0.152 0.000 1.424 194 W CA 0.201 57.478 57.345 -0.114 0.000 1.375 194 W CB -0.063 29.334 29.460 -0.104 0.000 1.483 194 W HN -0.032 nan 8.180 nan 0.000 0.561 195 K N 2.236 122.610 120.400 -0.044 0.000 2.535 195 K HA 0.360 4.698 4.320 0.030 0.000 0.251 195 K C -0.860 175.562 176.600 -0.297 0.000 0.942 195 K CA -0.725 55.427 56.287 -0.224 0.000 0.798 195 K CB 1.953 34.304 32.500 -0.249 0.000 1.267 195 K HN 0.113 nan 8.250 nan 0.000 0.434 196 T N 2.492 116.806 114.554 -0.400 0.000 2.771 196 T HA 0.465 4.833 4.350 0.030 0.000 0.281 196 T C -0.684 173.681 174.700 -0.558 0.000 0.982 196 T CA -0.406 61.501 62.100 -0.322 0.000 0.978 196 T CB 0.498 69.270 68.868 -0.160 0.000 0.930 196 T HN 0.306 nan 8.240 nan 0.000 0.447 197 W N 5.637 126.841 121.300 -0.160 0.000 2.318 197 W HA 0.383 5.061 4.660 0.030 0.000 0.315 197 W C -2.284 174.194 176.519 -0.068 0.000 1.033 197 W CA -2.390 54.811 57.345 -0.240 0.000 1.275 197 W CB 1.090 30.317 29.460 -0.388 0.000 1.250 197 W HN 0.381 nan 8.180 nan 0.000 0.421 198 P HA 0.349 nan 4.420 nan 0.000 0.278 198 P C -0.573 176.967 177.300 0.399 0.000 1.238 198 P CA -0.036 63.196 63.100 0.220 0.000 0.794 198 P CB 1.815 33.586 31.700 0.117 0.000 0.955 199 I N 3.520 124.277 120.570 0.311 0.000 2.476 199 I HA 0.439 4.627 4.170 0.030 0.000 0.281 199 I C -0.853 175.466 176.117 0.337 0.000 1.040 199 I CA -0.513 60.968 61.300 0.301 0.000 1.094 199 I CB 0.978 39.127 38.000 0.248 0.000 1.219 199 I HN 0.244 nan 8.210 nan 0.000 0.450 200 F N 5.551 125.566 119.950 0.109 0.000 2.683 200 F HA 0.354 4.899 4.527 0.031 0.000 0.333 200 F C -0.894 175.003 175.800 0.162 0.000 1.160 200 F CA -0.818 57.245 58.000 0.104 0.000 1.099 200 F CB 1.130 40.126 39.000 -0.007 0.000 1.344 200 F HN 0.300 nan 8.300 nan 0.000 0.534 201 N N 4.485 123.114 118.700 -0.117 0.000 2.414 201 N HA 0.238 4.996 4.740 0.030 0.000 0.268 201 N C -0.623 174.915 175.510 0.046 0.000 1.286 201 N CA 0.286 53.327 53.050 -0.014 0.000 0.896 201 N CB 0.476 38.901 38.487 -0.104 0.000 1.093 201 N HN 0.597 nan 8.380 nan 0.000 0.480 202 R N 1.263 121.806 120.500 0.072 0.000 2.584 202 R HA 0.203 4.561 4.340 0.030 0.000 0.276 202 R C -1.665 174.692 176.300 0.094 0.000 1.046 202 R CA -0.723 55.435 56.100 0.096 0.000 0.906 202 R CB 0.859 31.226 30.300 0.112 0.000 1.215 202 R HN 0.291 nan 8.270 nan 0.000 0.449 203 D N 2.801 123.301 120.400 0.166 0.000 2.348 203 D HA 0.184 4.843 4.640 0.030 0.000 0.259 203 D C -0.993 175.398 176.300 0.151 0.000 1.296 203 D CA 0.841 54.990 54.000 0.248 0.000 0.931 203 D CB 0.391 41.331 40.800 0.234 0.000 1.067 203 D HN 0.636 nan 8.370 nan 0.000 0.503 204 T N -0.383 114.198 114.554 0.045 0.000 2.821 204 T HA 0.377 4.746 4.350 0.030 0.000 0.306 204 T C -0.372 174.322 174.700 -0.009 0.000 1.313 204 T CA -0.911 61.199 62.100 0.017 0.000 1.012 204 T CB 1.221 70.075 68.868 -0.023 0.000 1.298 204 T HN 0.051 nan 8.240 nan 0.000 0.502 205 T N 4.161 118.765 114.554 0.083 0.000 2.761 205 T HA 0.441 4.809 4.350 0.030 0.000 0.296 205 T C -2.426 172.339 174.700 0.108 0.000 0.934 205 T CA -0.899 61.289 62.100 0.147 0.000 1.091 205 T CB 0.607 69.590 68.868 0.192 0.000 0.896 205 T HN 0.526 nan 8.240 nan 0.000 0.515 206 P HA 0.124 nan 4.420 nan 0.000 0.267 206 P C -0.678 176.777 177.300 0.258 0.000 1.328 206 P CA -0.244 62.953 63.100 0.161 0.000 0.990 206 P CB -0.045 31.778 31.700 0.204 0.000 1.168 207 N N 1.208 120.036 118.700 0.213 0.000 3.283 207 N HA 0.345 5.103 4.740 0.030 0.000 0.338 207 N C 1.304 176.863 175.510 0.081 0.000 1.517 207 N CA -0.837 52.402 53.050 0.314 0.000 0.733 207 N CB -0.467 38.183 38.487 0.272 0.000 1.797 207 N HN 0.027 nan 8.380 nan 0.000 0.637 208 G N -1.107 107.772 108.800 0.132 0.000 2.708 208 G HA2 -0.184 3.794 3.960 0.030 0.000 0.210 208 G HA3 -0.184 3.794 3.960 0.030 0.000 0.210 208 G C 0.537 175.401 174.900 -0.060 0.000 1.141 208 G CA 0.198 45.220 45.100 -0.131 0.000 0.788 208 G HN 0.578 nan 8.290 nan 0.000 0.531 209 N N 0.874 119.579 118.700 0.009 0.000 2.494 209 N HA -0.014 4.744 4.740 0.030 0.000 0.182 209 N C 1.758 177.263 175.510 -0.007 0.000 1.076 209 N CA 0.897 53.953 53.050 0.008 0.000 0.908 209 N CB 0.062 38.570 38.487 0.035 0.000 0.967 209 N HN 0.357 nan 8.380 nan 0.000 0.449 210 G N 1.753 110.577 108.800 0.040 0.000 2.273 210 G HA2 -0.290 3.688 3.960 0.030 0.000 0.280 210 G HA3 -0.290 3.688 3.960 0.030 0.000 0.280 210 G C 0.409 175.410 174.900 0.169 0.000 1.047 210 G CA 0.943 46.148 45.100 0.175 0.000 0.869 210 G HN 0.496 nan 8.290 nan 0.000 0.502 211 T N -1.390 113.255 114.554 0.151 0.000 2.824 211 T HA 0.535 4.904 4.350 0.030 0.000 0.277 211 T C 0.819 175.687 174.700 0.279 0.000 0.975 211 T CA -0.143 62.044 62.100 0.146 0.000 0.966 211 T CB 1.075 69.992 68.868 0.082 0.000 1.054 211 T HN 0.707 nan 8.240 nan 0.000 0.533 212 N N 1.305 120.156 118.700 0.251 0.000 2.454 212 N HA 0.154 4.912 4.740 0.030 0.000 0.254 212 N C -0.282 175.281 175.510 0.089 0.000 1.228 212 N CA -0.231 52.977 53.050 0.264 0.000 0.900 212 N CB 0.513 39.142 38.487 0.237 0.000 1.089 212 N HN 0.689 nan 8.380 nan 0.000 0.449 213 L N 0.151 121.366 121.223 -0.013 0.000 2.777 213 L HA 0.309 4.668 4.340 0.030 0.000 0.241 213 L C 1.181 177.930 176.870 -0.201 0.000 1.854 213 L CA -0.946 53.737 54.840 -0.262 0.000 2.070 213 L CB -0.257 41.594 42.059 -0.347 0.000 2.441 213 L HN 0.344 nan 8.230 nan 0.000 0.587 214 Y N 0.028 120.362 120.300 0.056 0.000 2.314 214 Y HA 0.115 4.684 4.550 0.031 0.000 0.293 214 Y C 1.307 177.228 175.900 0.035 0.000 1.129 214 Y CA 0.422 58.544 58.100 0.037 0.000 1.201 214 Y CB -0.732 37.737 38.460 0.016 0.000 0.999 214 Y HN 0.395 nan 8.280 nan 0.000 0.541 215 G N -0.815 108.092 108.800 0.179 0.000 2.644 215 G HA2 0.691 4.669 3.960 0.030 0.000 0.307 215 G HA3 0.691 4.669 3.960 0.030 0.000 0.307 215 G C -1.439 173.489 174.900 0.046 0.000 1.250 215 G CA -0.551 44.621 45.100 0.120 0.000 0.996 215 G HN 0.211 nan 8.290 nan 0.000 0.489 216 A N 0.570 123.423 122.820 0.055 0.000 2.340 216 A HA 0.716 5.054 4.320 0.030 0.000 0.297 216 A C -0.758 176.715 177.584 -0.186 0.000 1.195 216 A CA -0.547 51.509 52.037 0.032 0.000 0.769 216 A CB 1.388 20.550 19.000 0.270 0.000 1.163 216 A HN 0.383 nan 8.150 nan 0.000 0.472 217 Q N 1.967 121.576 119.800 -0.318 0.000 2.337 217 Q HA 0.261 4.619 4.340 0.030 0.000 0.260 217 Q C 0.441 176.264 176.000 -0.296 0.000 0.982 217 Q CA -0.035 55.407 55.803 -0.602 0.000 0.734 217 Q CB 1.524 29.360 28.738 -1.504 0.000 1.272 217 Q HN 0.898 nan 8.270 nan 0.000 0.461 218 T N -1.579 112.949 114.554 -0.043 0.000 3.081 218 T HA 0.159 4.527 4.350 0.030 0.000 0.250 218 T C 0.599 175.500 174.700 0.335 0.000 1.100 218 T CA -0.159 62.050 62.100 0.182 0.000 1.038 218 T CB -0.034 68.907 68.868 0.123 0.000 0.962 218 T HN 0.283 nan 8.240 nan 0.000 0.516 219 F N 3.806 123.819 119.950 0.104 0.000 2.578 219 F HA 0.445 4.990 4.527 0.030 0.000 0.376 219 F C -0.419 175.502 175.800 0.202 0.000 1.085 219 F CA -1.980 56.030 58.000 0.017 0.000 1.260 219 F CB 0.105 38.786 39.000 -0.530 0.000 1.095 219 F HN 0.284 nan 8.300 nan 0.000 0.573 220 F N 6.121 125.598 119.950 -0.787 0.000 2.599 220 F HA 0.722 5.267 4.527 0.030 0.000 0.311 220 F C -2.101 172.994 175.800 -1.176 0.000 1.076 220 F CA -1.528 56.000 58.000 -0.788 0.000 0.937 220 F CB 1.133 39.889 39.000 -0.408 0.000 1.282 220 F HN 0.518 nan 8.300 nan 0.000 0.460 221 L N 3.140 123.990 121.223 -0.622 0.000 2.346 221 L HA 0.756 5.114 4.340 0.030 0.000 0.274 221 L C -1.553 175.221 176.870 -0.161 0.000 1.007 221 L CA -0.608 53.955 54.840 -0.460 0.000 0.818 221 L CB 1.749 43.737 42.059 -0.119 0.000 1.284 221 L HN 1.097 nan 8.230 nan 0.000 0.424 222 C N 5.772 124.870 119.300 -0.337 0.000 2.364 222 C HA 0.512 4.990 4.460 0.030 0.000 0.324 222 C C -0.403 174.533 174.990 -0.090 0.000 1.234 222 C CA -0.936 57.961 59.018 -0.203 0.000 1.417 222 C CB 0.750 28.309 27.740 -0.301 0.000 2.101 222 C HN 0.786 nan 8.230 nan 0.000 0.466 223 L N 6.531 127.737 121.223 -0.028 0.000 2.325 223 L HA 0.368 4.727 4.340 0.030 0.000 0.284 223 L C 1.144 177.923 176.870 -0.153 0.000 1.089 223 L CA 0.855 55.625 54.840 -0.116 0.000 0.836 223 L CB 0.242 42.178 42.059 -0.205 0.000 1.184 223 L HN 0.836 nan 8.230 nan 0.000 0.444 224 E N 2.235 122.417 120.200 -0.031 0.000 2.051 224 E HA -0.098 4.270 4.350 0.030 0.000 0.192 224 E C -0.329 176.253 176.600 -0.030 0.000 0.991 224 E CA 1.681 58.093 56.400 0.020 0.000 0.799 224 E CB 0.093 29.846 29.700 0.088 0.000 0.748 224 E HN 0.944 nan 8.360 nan 0.000 0.449 225 D N -3.229 117.158 120.400 -0.022 0.000 2.779 225 D HA 0.283 4.941 4.640 0.030 0.000 0.331 225 D C -0.144 176.324 176.300 0.280 0.000 1.331 225 D CA -0.148 53.924 54.000 0.120 0.000 0.866 225 D CB 0.214 41.107 40.800 0.155 0.000 1.409 225 D HN -0.098 nan 8.370 nan 0.000 0.486 226 A N -0.225 122.897 122.820 0.504 0.000 2.121 226 A HA 0.004 4.342 4.320 0.030 0.000 0.218 226 A C 1.872 179.721 177.584 0.440 0.000 1.154 226 A CA 1.823 54.212 52.037 0.586 0.000 0.679 226 A CB -1.150 18.108 19.000 0.430 0.000 0.795 226 A HN 0.715 nan 8.150 nan 0.000 0.458 227 S N -1.805 114.069 115.700 0.289 0.000 2.469 227 S HA 0.238 4.726 4.470 0.030 0.000 0.238 227 S C 1.648 176.351 174.600 0.172 0.000 0.998 227 S CA 1.390 59.729 58.200 0.232 0.000 0.957 227 S CB -0.433 62.852 63.200 0.140 0.000 0.764 227 S HN 1.845 nan 8.310 nan 0.000 0.514 228 G N 0.699 109.516 108.800 0.028 0.000 2.232 228 G HA2 -0.213 3.765 3.960 0.030 0.000 0.226 228 G HA3 -0.213 3.765 3.960 0.030 0.000 0.226 228 G C 0.030 174.730 174.900 -0.333 0.000 0.996 228 G CA -0.077 44.676 45.100 -0.578 0.000 0.626 228 G HN 0.536 nan 8.290 nan 0.000 0.509 229 L N 1.668 122.823 121.223 -0.114 0.000 2.578 229 L HA 0.451 4.809 4.340 0.030 0.000 0.279 229 L C 0.561 177.422 176.870 -0.014 0.000 1.227 229 L CA 0.622 55.439 54.840 -0.039 0.000 0.900 229 L CB 0.744 42.817 42.059 0.022 0.000 1.144 229 L HN 0.234 nan 8.230 nan 0.000 0.496 230 S N 2.125 117.845 115.700 0.035 0.000 2.570 230 S HA 0.791 5.279 4.470 0.030 0.000 0.270 230 S C -0.966 173.764 174.600 0.216 0.000 1.149 230 S CA -0.652 57.585 58.200 0.061 0.000 0.837 230 S CB 2.171 65.326 63.200 -0.074 0.000 1.124 230 S HN 0.503 nan 8.310 nan 0.000 0.465 231 F N -0.983 118.978 119.950 0.020 0.000 2.711 231 F HA 0.966 5.511 4.527 0.031 0.000 0.313 231 F C -0.281 175.537 175.800 0.031 0.000 1.141 231 F CA -0.751 57.287 58.000 0.063 0.000 0.941 231 F CB 0.954 39.991 39.000 0.063 0.000 1.349 231 F HN 0.769 nan 8.300 nan 0.000 0.464 232 G N 0.407 109.174 108.800 -0.054 0.000 2.619 232 G HA2 0.647 4.626 3.960 0.030 0.000 0.296 232 G HA3 0.647 4.626 3.960 0.030 0.000 0.296 232 G C -2.443 172.403 174.900 -0.090 0.000 1.334 232 G CA -1.152 43.760 45.100 -0.313 0.000 0.934 232 G HN 0.763 nan 8.290 nan 0.000 0.476 233 V N 0.636 120.228 119.914 -0.536 0.000 2.709 233 V HA 0.655 4.793 4.120 0.030 0.000 0.308 233 V C -1.468 174.736 176.094 0.184 0.000 1.062 233 V CA -0.698 61.524 62.300 -0.129 0.000 0.901 233 V CB 1.761 33.519 31.823 -0.109 0.000 1.003 233 V HN 0.716 nan 8.190 nan 0.000 0.425 234 F N 5.903 126.012 119.950 0.266 0.000 2.518 234 F HA 0.745 5.290 4.527 0.030 0.000 0.323 234 F C -1.035 174.822 175.800 0.096 0.000 1.129 234 F CA -1.196 56.980 58.000 0.294 0.000 0.920 234 F CB 1.742 41.065 39.000 0.538 0.000 1.160 234 F HN 0.408 nan 8.300 nan 0.000 0.440 235 L N 7.951 128.691 121.223 -0.805 0.000 2.255 235 L HA 0.488 4.846 4.340 0.030 0.000 0.289 235 L C -0.501 175.545 176.870 -1.372 0.000 1.046 235 L CA -0.551 53.583 54.840 -1.176 0.000 0.816 235 L CB 0.987 42.312 42.059 -1.223 0.000 1.197 235 L HN 0.754 nan 8.230 nan 0.000 0.427 236 M N 6.339 125.272 119.600 -1.112 0.000 2.775 236 M HA 0.348 4.846 4.480 0.030 0.000 0.313 236 M C -0.980 175.145 176.300 -0.292 0.000 1.429 236 M CA 0.558 55.505 55.300 -0.588 0.000 1.494 236 M CB -1.040 31.479 32.600 -0.135 0.000 1.274 236 M HN 0.662 nan 8.290 nan 0.000 0.491 237 N N 1.127 119.740 118.700 -0.144 0.000 2.406 237 N HA 0.211 4.969 4.740 0.030 0.000 0.283 237 N C -0.758 174.873 175.510 0.201 0.000 1.074 237 N CA 0.072 53.109 53.050 -0.021 0.000 0.916 237 N CB 1.592 39.970 38.487 -0.180 0.000 1.639 237 N HN 0.510 nan 8.380 nan 0.000 0.485 238 S N 1.272 117.111 115.700 0.232 0.000 2.554 238 S HA 0.239 4.727 4.470 0.030 0.000 0.226 238 S C 0.328 175.010 174.600 0.135 0.000 0.980 238 S CA -0.567 57.749 58.200 0.194 0.000 0.939 238 S CB -0.138 63.053 63.200 -0.016 0.000 0.832 238 S HN 0.483 nan 8.310 nan 0.000 0.486 239 N N 2.048 120.800 118.700 0.088 0.000 2.445 239 N HA 0.469 5.227 4.740 0.030 0.000 0.264 239 N C 0.084 175.637 175.510 0.072 0.000 1.227 239 N CA 0.012 53.054 53.050 -0.012 0.000 0.963 239 N CB 0.909 39.331 38.487 -0.108 0.000 1.188 239 N HN 0.404 nan 8.380 nan 0.000 0.491 240 A N 1.082 123.899 122.820 -0.005 0.000 2.531 240 A HA 0.303 4.641 4.320 0.030 0.000 0.236 240 A C 0.371 177.950 177.584 -0.008 0.000 1.062 240 A CA 0.452 52.484 52.037 -0.009 0.000 0.760 240 A CB -0.213 18.477 19.000 -0.516 0.000 0.995 240 A HN 0.785 nan 8.150 nan 0.000 0.501 241 M N 0.768 120.408 119.600 0.067 0.000 2.949 241 M HA 0.736 5.234 4.480 0.030 0.000 0.270 241 M C -1.287 175.083 176.300 0.116 0.000 1.221 241 M CA -0.708 54.641 55.300 0.081 0.000 0.818 241 M CB 1.823 34.482 32.600 0.099 0.000 1.635 241 M HN 0.776 nan 8.290 nan 0.000 0.492 242 E N 0.607 120.876 120.200 0.114 0.000 2.408 242 E HA 0.736 5.105 4.350 0.030 0.000 0.275 242 E C -1.825 174.808 176.600 0.055 0.000 0.935 242 E CA -1.137 55.329 56.400 0.110 0.000 0.775 242 E CB 2.935 32.694 29.700 0.098 0.000 1.277 242 E HN 0.521 nan 8.360 nan 0.000 0.455 243 V N 1.795 121.724 119.914 0.024 0.000 2.444 243 V HA 0.310 4.448 4.120 0.030 0.000 0.294 243 V C -0.632 175.398 176.094 -0.107 0.000 1.022 243 V CA -0.731 61.489 62.300 -0.132 0.000 0.850 243 V CB 1.698 33.399 31.823 -0.204 0.000 0.992 243 V HN 0.571 nan 8.190 nan 0.000 0.426 244 V N 6.797 126.620 119.914 -0.153 0.000 2.398 244 V HA 0.523 4.661 4.120 0.030 0.000 0.286 244 V C -0.198 175.781 176.094 -0.193 0.000 1.026 244 V CA -0.505 61.727 62.300 -0.114 0.000 0.868 244 V CB 1.571 33.375 31.823 -0.033 0.000 0.982 244 V HN 0.604 nan 8.190 nan 0.000 0.443 245 L N 5.774 126.880 121.223 -0.196 0.000 2.329 245 L HA 0.744 5.102 4.340 0.030 0.000 0.279 245 L C -0.218 176.448 176.870 -0.340 0.000 1.014 245 L CA -0.432 54.236 54.840 -0.286 0.000 0.814 245 L CB 1.823 43.726 42.059 -0.260 0.000 1.257 245 L HN 0.832 nan 8.230 nan 0.000 0.424 246 Q N 2.235 121.748 119.800 -0.479 0.000 2.456 246 Q HA 0.465 4.824 4.340 0.030 0.000 0.284 246 Q C -2.715 172.849 176.000 -0.726 0.000 1.061 246 Q CA -1.895 53.396 55.803 -0.854 0.000 0.799 246 Q CB 2.726 30.812 28.738 -1.087 0.000 1.445 246 Q HN 0.185 nan 8.270 nan 0.000 0.411 247 P HA 0.029 nan 4.420 nan 0.000 0.245 247 P C 0.882 177.990 177.300 -0.321 0.000 1.212 247 P CA 1.129 63.950 63.100 -0.464 0.000 0.774 247 P CB 0.031 31.504 31.700 -0.378 0.000 0.999 248 A N 0.969 123.581 122.820 -0.346 0.000 1.929 248 A HA -0.152 4.186 4.320 0.030 0.000 0.221 248 A C -0.711 176.780 177.584 -0.154 0.000 1.211 248 A CA 1.477 53.388 52.037 -0.210 0.000 0.657 248 A CB -2.520 16.362 19.000 -0.197 0.000 0.827 248 A HN 0.293 nan 8.150 nan 0.000 0.462 249 P HA 0.558 nan 4.420 nan 0.000 0.278 249 P C -0.704 176.462 177.300 -0.224 0.000 1.238 249 P CA 0.308 63.274 63.100 -0.224 0.000 0.794 249 P CB 1.556 33.141 31.700 -0.192 0.000 0.955 250 A N 2.366 125.018 122.820 -0.281 0.000 2.612 250 A HA 0.726 5.064 4.320 0.030 0.000 0.293 250 A C -1.589 175.806 177.584 -0.315 0.000 1.075 250 A CA -0.698 51.183 52.037 -0.260 0.000 0.680 250 A CB 1.311 20.181 19.000 -0.217 0.000 1.279 250 A HN 0.606 nan 8.150 nan 0.000 0.411 251 I N 0.531 120.915 120.570 -0.310 0.000 2.582 251 I HA 0.709 4.897 4.170 0.030 0.000 0.292 251 I C -1.147 174.814 176.117 -0.261 0.000 1.066 251 I CA -0.128 60.947 61.300 -0.375 0.000 1.053 251 I CB 2.323 39.961 38.000 -0.603 0.000 1.241 251 I HN 0.589 nan 8.210 nan 0.000 0.421 252 T N 6.267 120.679 114.554 -0.238 0.000 2.812 252 T HA 0.462 4.830 4.350 0.030 0.000 0.282 252 T C -1.155 173.468 174.700 -0.128 0.000 0.990 252 T CA -0.149 61.895 62.100 -0.093 0.000 0.960 252 T CB 0.692 69.548 68.868 -0.020 0.000 0.948 252 T HN 0.314 nan 8.240 nan 0.000 0.438 253 Y N 2.141 122.475 120.300 0.056 0.000 2.326 253 Y HA 0.534 5.102 4.550 0.030 0.000 0.337 253 Y C 0.851 176.731 175.900 -0.032 0.000 1.023 253 Y CA -0.735 57.406 58.100 0.068 0.000 1.143 253 Y CB 1.109 39.696 38.460 0.212 0.000 1.183 253 Y HN 0.354 nan 8.280 nan 0.000 0.485 254 R N 2.398 122.921 120.500 0.037 0.000 2.467 254 R HA 0.380 4.738 4.340 0.030 0.000 0.299 254 R C -1.163 175.029 176.300 -0.179 0.000 1.120 254 R CA -0.194 55.789 56.100 -0.195 0.000 0.940 254 R CB 1.134 31.337 30.300 -0.162 0.000 1.161 254 R HN 0.736 nan 8.270 nan 0.000 0.506 255 T N 3.115 117.506 114.554 -0.272 0.000 2.924 255 T HA 0.406 4.774 4.350 0.030 0.000 0.291 255 T C 0.780 175.371 174.700 -0.181 0.000 1.045 255 T CA -0.828 61.175 62.100 -0.162 0.000 1.015 255 T CB 1.007 69.803 68.868 -0.121 0.000 1.103 255 T HN 0.645 nan 8.240 nan 0.000 0.496 256 I N 0.324 120.858 120.570 -0.061 0.000 3.927 256 I HA 0.682 4.870 4.170 0.030 0.000 0.332 256 I C 0.477 176.680 176.117 0.144 0.000 1.485 256 I CA -0.534 60.805 61.300 0.066 0.000 1.131 256 I CB -0.147 37.936 38.000 0.140 0.000 1.092 256 I HN 0.634 nan 8.210 nan 0.000 0.410 257 G N -0.350 108.481 108.800 0.051 0.000 2.490 257 G HA2 0.522 4.500 3.960 0.030 0.000 0.308 257 G HA3 0.522 4.500 3.960 0.030 0.000 0.308 257 G C -0.114 174.824 174.900 0.063 0.000 1.286 257 G CA -0.041 45.146 45.100 0.144 0.000 0.825 257 G HN 0.616 nan 8.290 nan 0.000 0.479 258 G N -0.700 108.200 108.800 0.167 0.000 2.550 258 G HA2 0.185 4.163 3.960 0.030 0.000 0.277 258 G HA3 0.185 4.163 3.960 0.030 0.000 0.277 258 G C 0.280 175.200 174.900 0.034 0.000 1.190 258 G CA 1.352 46.566 45.100 0.191 0.000 0.971 258 G HN 2.185 nan 8.290 nan 0.000 0.559 259 I N -3.017 117.519 120.570 -0.058 0.000 3.174 259 I HA 0.764 4.953 4.170 0.030 0.000 0.313 259 I C -0.190 175.759 176.117 -0.280 0.000 1.155 259 I CA -1.446 59.771 61.300 -0.138 0.000 0.977 259 I CB 2.089 40.075 38.000 -0.023 0.000 1.248 259 I HN 0.535 nan 8.210 nan 0.000 0.453 260 L N 2.678 123.718 121.223 -0.305 0.000 2.282 260 L HA 0.369 4.728 4.340 0.030 0.000 0.287 260 L C -0.951 175.634 176.870 -0.474 0.000 1.075 260 L CA 0.141 54.730 54.840 -0.418 0.000 0.839 260 L CB 0.129 42.096 42.059 -0.153 0.000 1.219 260 L HN 0.568 nan 8.230 nan 0.000 0.434 261 D N 3.909 123.899 120.400 -0.682 0.000 2.454 261 D HA 0.318 4.976 4.640 0.030 0.000 0.247 261 D C -1.063 174.745 176.300 -0.819 0.000 1.129 261 D CA -0.213 53.433 54.000 -0.590 0.000 0.877 261 D CB 0.676 41.276 40.800 -0.332 0.000 1.082 261 D HN -0.008 nan 8.370 nan 0.000 0.537 262 F N 2.561 121.948 119.950 -0.938 0.000 2.480 262 F HA 0.477 5.022 4.527 0.030 0.000 0.329 262 F C -0.402 174.831 175.800 -0.946 0.000 1.091 262 F CA -0.585 56.828 58.000 -0.979 0.000 0.972 262 F CB 1.384 39.494 39.000 -1.483 0.000 1.150 262 F HN 0.180 nan 8.300 nan 0.000 0.467 263 Y N 1.350 121.508 120.300 -0.238 0.000 2.409 263 Y HA 0.674 5.242 4.550 0.031 0.000 0.343 263 Y C -0.766 174.800 175.900 -0.557 0.000 0.973 263 Y CA -1.127 56.733 58.100 -0.399 0.000 1.064 263 Y CB 2.045 40.315 38.460 -0.317 0.000 1.207 263 Y HN 0.179 nan 8.280 nan 0.000 0.452 264 V N 4.549 124.177 119.914 -0.477 0.000 2.444 264 V HA 0.447 4.586 4.120 0.030 0.000 0.294 264 V C -1.060 174.809 176.094 -0.375 0.000 1.022 264 V CA -1.058 61.070 62.300 -0.287 0.000 0.850 264 V CB 1.042 32.838 31.823 -0.045 0.000 0.992 264 V HN 0.476 nan 8.190 nan 0.000 0.426 265 F N 4.968 125.052 119.950 0.225 0.000 2.458 265 F HA 0.761 5.307 4.527 0.031 0.000 0.336 265 F C -0.291 175.639 175.800 0.217 0.000 1.114 265 F CA -0.860 57.255 58.000 0.192 0.000 0.987 265 F CB 1.626 40.749 39.000 0.205 0.000 1.130 265 F HN 0.195 nan 8.300 nan 0.000 0.458 266 L N 2.075 123.499 121.223 0.336 0.000 2.334 266 L HA 0.918 5.276 4.340 0.030 0.000 0.276 266 L C 0.223 177.225 176.870 0.221 0.000 1.014 266 L CA -0.239 54.769 54.840 0.280 0.000 0.815 266 L CB 2.006 44.205 42.059 0.233 0.000 1.268 266 L HN 0.777 nan 8.230 nan 0.000 0.428 267 G N 0.361 109.259 108.800 0.163 0.000 2.690 267 G HA2 0.310 4.289 3.960 0.030 0.000 0.291 267 G HA3 0.310 4.289 3.960 0.030 0.000 0.291 267 G C -0.197 174.727 174.900 0.039 0.000 1.403 267 G CA -0.478 44.675 45.100 0.089 0.000 0.864 267 G HN 0.441 nan 8.290 nan 0.000 0.480 268 N N -0.550 118.153 118.700 0.004 0.000 2.422 268 N HA 0.087 4.845 4.740 0.030 0.000 0.181 268 N C 0.738 176.166 175.510 -0.137 0.000 1.080 268 N CA 1.017 54.048 53.050 -0.031 0.000 0.893 268 N CB 0.594 39.080 38.487 -0.002 0.000 0.973 268 N HN 0.755 nan 8.380 nan 0.000 0.456 269 T N -3.774 110.679 114.554 -0.168 0.000 2.864 269 T HA 0.388 4.756 4.350 0.030 0.000 0.299 269 T C -2.448 172.089 174.700 -0.271 0.000 1.166 269 T CA -1.687 60.212 62.100 -0.335 0.000 1.007 269 T CB 2.620 71.354 68.868 -0.223 0.000 1.219 269 T HN -0.356 nan 8.240 nan 0.000 0.506 270 P HA -0.087 nan 4.420 nan 0.000 0.215 270 P C 1.557 178.636 177.300 -0.368 0.000 1.153 270 P CA 1.008 63.831 63.100 -0.462 0.000 0.853 270 P CB 0.119 31.283 31.700 -0.894 0.000 0.788 271 E N -0.068 119.969 120.200 -0.273 0.000 2.085 271 E HA -0.225 4.143 4.350 0.030 0.000 0.194 271 E C 2.075 178.646 176.600 -0.048 0.000 0.994 271 E CA 1.308 57.672 56.400 -0.060 0.000 0.801 271 E CB -0.577 29.138 29.700 0.024 0.000 0.743 271 E HN 0.466 nan 8.360 nan 0.000 0.453 272 Q N 0.119 119.885 119.800 -0.055 0.000 2.170 272 Q HA -0.097 4.261 4.340 0.030 0.000 0.203 272 Q C 2.364 178.356 176.000 -0.014 0.000 0.976 272 Q CA 1.065 56.850 55.803 -0.030 0.000 0.858 272 Q CB 0.006 28.737 28.738 -0.012 0.000 0.907 272 Q HN 0.115 nan 8.270 nan 0.000 0.433 273 V N 0.205 120.118 119.914 -0.001 0.000 2.295 273 V HA -0.240 3.898 4.120 0.030 0.000 0.246 273 V C 2.242 178.337 176.094 0.001 0.000 1.049 273 V CA 1.496 63.832 62.300 0.060 0.000 1.024 273 V CB -0.497 31.386 31.823 0.099 0.000 0.648 273 V HN 0.186 nan 8.190 nan 0.000 0.447 274 V N -0.323 119.590 119.914 -0.001 0.000 2.343 274 V HA -0.346 3.792 4.120 0.030 0.000 0.247 274 V C 2.466 178.448 176.094 -0.186 0.000 1.051 274 V CA 2.173 64.428 62.300 -0.074 0.000 1.036 274 V CB -0.853 30.982 31.823 0.020 0.000 0.654 274 V HN 0.586 nan 8.190 nan 0.000 0.451 275 Q N -0.502 119.212 119.800 -0.142 0.000 2.096 275 Q HA -0.232 4.127 4.340 0.030 0.000 0.204 275 Q C 2.390 178.259 176.000 -0.217 0.000 0.982 275 Q CA 1.694 57.393 55.803 -0.173 0.000 0.850 275 Q CB -0.235 28.435 28.738 -0.114 0.000 0.901 275 Q HN 0.593 nan 8.270 nan 0.000 0.422 276 E N 0.052 120.143 120.200 -0.180 0.000 2.077 276 E HA -0.195 4.173 4.350 0.030 0.000 0.193 276 E C 1.778 178.043 176.600 -0.559 0.000 0.989 276 E CA 1.005 57.296 56.400 -0.181 0.000 0.800 276 E CB -0.407 29.324 29.700 0.051 0.000 0.746 276 E HN 0.416 nan 8.360 nan 0.000 0.452 277 Y N 1.570 121.201 120.300 -1.117 0.000 2.097 277 Y HA -0.175 4.393 4.550 0.030 0.000 0.282 277 Y C 2.196 177.533 175.900 -0.938 0.000 1.152 277 Y CA 1.483 58.637 58.100 -1.577 0.000 1.136 277 Y CB -0.512 36.927 38.460 -1.702 0.000 0.975 277 Y HN -0.064 nan 8.280 nan 0.000 0.498 278 L N 0.055 120.786 121.223 -0.820 0.000 2.217 278 L HA -0.125 4.233 4.340 0.030 0.000 0.211 278 L C 2.369 178.901 176.870 -0.563 0.000 1.107 278 L CA 1.441 55.832 54.840 -0.747 0.000 0.783 278 L CB -0.628 41.127 42.059 -0.506 0.000 0.919 278 L HN 0.205 nan 8.230 nan 0.000 0.442 279 E N 1.220 121.167 120.200 -0.421 0.000 2.085 279 E HA -0.261 4.107 4.350 0.030 0.000 0.194 279 E C 1.996 178.456 176.600 -0.234 0.000 0.994 279 E CA 1.515 57.757 56.400 -0.264 0.000 0.801 279 E CB -0.215 29.391 29.700 -0.157 0.000 0.743 279 E HN 0.319 nan 8.360 nan 0.000 0.453 280 L N 0.363 121.385 121.223 -0.334 0.000 1.993 280 L HA 0.004 4.362 4.340 0.030 0.000 0.206 280 L C 2.337 178.977 176.870 -0.384 0.000 1.074 280 L CA 2.058 56.712 54.840 -0.310 0.000 0.746 280 L CB -0.571 41.303 42.059 -0.310 0.000 0.896 280 L HN 0.431 nan 8.230 nan 0.000 0.435 281 I N -1.909 118.225 120.570 -0.726 0.000 3.059 281 I HA 0.416 4.604 4.170 0.030 0.000 0.270 281 I C 0.780 176.558 176.117 -0.565 0.000 1.238 281 I CA 0.403 61.286 61.300 -0.695 0.000 1.478 281 I CB -0.648 36.715 38.000 -1.062 0.000 1.097 281 I HN 0.313 nan 8.210 nan 0.000 0.455 282 G N 1.528 109.858 108.800 -0.784 0.000 3.239 282 G HA2 -0.040 3.938 3.960 0.030 0.000 0.666 282 G HA3 -0.040 3.938 3.960 0.030 0.000 0.666 282 G C -0.714 173.824 174.900 -0.604 0.000 1.313 282 G CA -1.023 43.496 45.100 -0.968 0.000 1.001 282 G HN 0.305 nan 8.290 nan 0.000 0.573 283 R N 3.223 123.415 120.500 -0.513 0.000 2.539 283 R HA 0.456 4.815 4.340 0.030 0.000 0.275 283 R C -1.834 174.302 176.300 -0.274 0.000 1.077 283 R CA -1.288 54.583 56.100 -0.382 0.000 1.097 283 R CB 0.843 30.903 30.300 -0.399 0.000 1.018 283 R HN 0.413 nan 8.270 nan 0.000 0.483 284 P HA -0.021 nan 4.420 nan 0.000 0.269 284 P C -0.774 176.539 177.300 0.021 0.000 1.209 284 P CA -0.056 62.995 63.100 -0.083 0.000 0.776 284 P CB 0.560 32.248 31.700 -0.020 0.000 0.876 285 A N 3.189 125.974 122.820 -0.059 0.000 2.531 285 A HA 0.106 4.444 4.320 0.030 0.000 0.236 285 A C 0.186 177.675 177.584 -0.158 0.000 1.062 285 A CA -0.218 51.751 52.037 -0.114 0.000 0.760 285 A CB -0.487 18.421 19.000 -0.153 0.000 0.995 285 A HN 0.610 nan 8.150 nan 0.000 0.501 286 L N 5.031 125.999 121.223 -0.425 0.000 2.410 286 L HA 0.374 4.732 4.340 0.030 0.000 0.273 286 L C -1.748 174.979 176.870 -0.237 0.000 1.144 286 L CA -1.204 53.434 54.840 -0.338 0.000 0.863 286 L CB 0.358 42.121 42.059 -0.493 0.000 1.140 286 L HN 0.529 nan 8.230 nan 0.000 0.463 287 P HA 0.180 nan 4.420 nan 0.000 0.276 287 P C -0.707 176.451 177.300 -0.237 0.000 1.261 287 P CA -0.558 62.371 63.100 -0.285 0.000 0.800 287 P CB 0.646 32.072 31.700 -0.456 0.000 1.066 288 S N 0.065 115.530 115.700 -0.392 0.000 2.560 288 S HA -0.034 4.454 4.470 0.030 0.000 0.284 288 S C 1.002 175.316 174.600 -0.477 0.000 1.327 288 S CA -0.142 57.758 58.200 -0.499 0.000 1.055 288 S CB -0.331 62.259 63.200 -1.017 0.000 0.868 288 S HN 0.471 nan 8.310 nan 0.000 0.506 289 Y N 2.911 122.931 120.300 -0.466 0.000 2.274 289 Y HA -0.154 4.413 4.550 0.029 0.000 0.290 289 Y C 2.010 177.713 175.900 -0.328 0.000 1.145 289 Y CA 1.725 59.519 58.100 -0.509 0.000 1.203 289 Y CB -0.057 37.985 38.460 -0.697 0.000 0.984 289 Y HN 0.915 nan 8.280 nan 0.000 0.533 290 W N -0.583 120.686 121.300 -0.050 0.000 2.392 290 W HA -0.056 4.627 4.660 0.038 0.000 0.279 290 W C 1.857 178.259 176.519 -0.195 0.000 1.225 290 W CA 0.863 58.142 57.345 -0.110 0.000 1.233 290 W CB -1.205 28.187 29.460 -0.114 0.000 1.122 290 W HN 0.184 nan 8.180 nan 0.000 0.561 291 A N 1.746 124.207 122.820 -0.599 0.000 2.125 291 A HA -0.037 4.301 4.320 0.030 0.000 0.219 291 A C 2.162 179.697 177.584 -0.082 0.000 1.156 291 A CA 1.164 52.913 52.037 -0.479 0.000 0.671 291 A CB -0.853 17.703 19.000 -0.739 0.000 0.794 291 A HN 0.398 nan 8.150 nan 0.000 0.459 292 L N -0.779 120.304 121.223 -0.232 0.000 2.395 292 L HA 0.080 4.438 4.340 0.030 0.000 0.218 292 L C 1.830 178.636 176.870 -0.106 0.000 1.130 292 L CA 0.000 54.716 54.840 -0.207 0.000 0.826 292 L CB -0.706 41.093 42.059 -0.432 0.000 0.941 292 L HN 0.445 nan 8.230 nan 0.000 0.451 293 G N -0.383 108.364 108.800 -0.090 0.000 2.631 293 G HA2 0.038 4.016 3.960 0.030 0.000 0.271 293 G HA3 0.038 4.016 3.960 0.030 0.000 0.271 293 G C -0.807 174.280 174.900 0.312 0.000 1.302 293 G CA -0.416 44.700 45.100 0.027 0.000 1.002 293 G HN -0.047 nan 8.290 nan 0.000 0.519 294 F N 0.083 120.239 119.950 0.342 0.000 2.396 294 F HA 0.502 5.046 4.527 0.028 0.000 0.343 294 F C -0.041 175.876 175.800 0.194 0.000 1.104 294 F CA -0.858 57.303 58.000 0.267 0.000 1.161 294 F CB 0.792 39.933 39.000 0.234 0.000 1.146 294 F HN 0.357 nan 8.300 nan 0.000 0.522 295 H N 5.310 123.928 119.070 -0.754 0.000 2.492 295 H HA 0.616 5.190 4.556 0.031 0.000 0.345 295 H C -1.192 173.568 175.328 -0.946 0.000 1.136 295 H CA -0.724 54.986 56.048 -0.564 0.000 1.202 295 H CB 1.703 31.163 29.762 -0.505 0.000 1.524 295 H HN 0.634 nan 8.280 nan 0.000 0.506 296 L N 1.563 122.583 121.223 -0.339 0.000 2.362 296 L HA 0.708 5.066 4.340 0.030 0.000 0.271 296 L C -0.475 176.414 176.870 0.032 0.000 1.002 296 L CA -0.093 54.587 54.840 -0.266 0.000 0.818 296 L CB 1.816 43.709 42.059 -0.278 0.000 1.298 296 L HN 0.651 nan 8.230 nan 0.000 0.420 297 S N 3.417 119.183 115.700 0.110 0.000 2.588 297 S HA 0.922 5.410 4.470 0.030 0.000 0.269 297 S C -1.595 173.226 174.600 0.368 0.000 1.157 297 S CA -0.616 57.785 58.200 0.334 0.000 0.824 297 S CB 1.370 64.615 63.200 0.073 0.000 1.126 297 S HN 0.938 nan 8.310 nan 0.000 0.464 298 R N 1.346 122.027 120.500 0.303 0.000 2.690 298 R HA 0.354 4.712 4.340 0.030 0.000 0.269 298 R C -1.987 174.406 176.300 0.154 0.000 1.037 298 R CA -0.971 55.122 56.100 -0.011 0.000 0.877 298 R CB 0.373 30.406 30.300 -0.444 0.000 1.255 298 R HN 0.680 nan 8.270 nan 0.000 0.467 299 Y N 2.946 123.243 120.300 -0.006 0.000 2.436 299 Y HA 0.107 4.673 4.550 0.028 0.000 0.343 299 Y C -0.361 175.464 175.900 -0.125 0.000 1.008 299 Y CA -0.122 58.011 58.100 0.054 0.000 1.241 299 Y CB 0.647 39.187 38.460 0.134 0.000 1.153 299 Y HN 0.806 nan 8.280 nan 0.000 0.521 300 E N 4.767 125.034 120.200 0.113 0.000 2.346 300 E HA -0.288 4.080 4.350 0.030 0.000 0.200 300 E C -0.477 176.074 176.600 -0.081 0.000 1.331 300 E CA 0.574 56.941 56.400 -0.053 0.000 0.668 300 E CB -1.720 27.806 29.700 -0.289 0.000 1.157 300 E HN 0.920 nan 8.360 nan 0.000 0.393 301 Y N 0.102 120.477 120.300 0.124 0.000 2.224 301 Y HA -0.135 4.445 4.550 0.050 0.000 0.289 301 Y C 2.424 178.338 175.900 0.024 0.000 1.146 301 Y CA 1.993 60.138 58.100 0.075 0.000 1.182 301 Y CB 0.014 38.540 38.460 0.110 0.000 0.983 301 Y HN 0.667 nan 8.280 nan 0.000 0.524 302 G N -0.939 108.007 108.800 0.245 0.000 2.527 302 G HA2 -0.275 3.703 3.960 0.030 0.000 0.218 302 G HA3 -0.275 3.703 3.960 0.030 0.000 0.218 302 G C 0.445 175.406 174.900 0.100 0.000 1.177 302 G CA 0.369 45.548 45.100 0.131 0.000 0.695 302 G HN 0.601 nan 8.290 nan 0.000 0.517 303 T N -1.927 112.559 114.554 -0.112 0.000 2.896 303 T HA 0.670 5.038 4.350 0.030 0.000 0.297 303 T C 0.974 175.103 174.700 -0.953 0.000 1.108 303 T CA 0.182 61.974 62.100 -0.512 0.000 1.004 303 T CB 2.152 70.842 68.868 -0.297 0.000 1.159 303 T HN 0.999 nan 8.240 nan 0.000 0.499 304 L N 1.154 121.462 121.223 -1.525 0.000 2.042 304 L HA 0.008 4.367 4.340 0.030 0.000 0.210 304 L C 1.835 178.335 176.870 -0.618 0.000 1.076 304 L CA 2.080 56.207 54.840 -1.187 0.000 0.749 304 L CB -1.057 40.463 42.059 -0.898 0.000 0.893 304 L HN 0.781 nan 8.230 nan 0.000 0.432 305 D N -0.561 119.589 120.400 -0.416 0.000 2.149 305 D HA -0.175 4.483 4.640 0.030 0.000 0.198 305 D C 1.913 178.097 176.300 -0.193 0.000 0.990 305 D CA 1.070 54.928 54.000 -0.236 0.000 0.839 305 D CB -0.250 40.452 40.800 -0.164 0.000 0.948 305 D HN 0.384 nan 8.370 nan 0.000 0.460 306 N N 0.044 118.623 118.700 -0.201 0.000 2.142 306 N HA -0.086 4.673 4.740 0.030 0.000 0.186 306 N C 1.780 177.209 175.510 -0.134 0.000 1.023 306 N CA 0.450 53.447 53.050 -0.088 0.000 0.852 306 N CB -0.346 38.143 38.487 0.003 0.000 0.998 306 N HN 0.248 nan 8.380 nan 0.000 0.424 307 M N 0.794 120.173 119.600 -0.368 0.000 2.067 307 M HA -0.129 4.369 4.480 0.030 0.000 0.260 307 M C 1.994 178.070 176.300 -0.374 0.000 1.069 307 M CA 1.490 56.342 55.300 -0.747 0.000 1.117 307 M CB 0.031 32.145 32.600 -0.809 0.000 1.334 307 M HN 0.016 nan 8.290 nan 0.000 0.407 308 R N -0.062 120.266 120.500 -0.287 0.000 2.103 308 R HA -0.221 4.137 4.340 0.030 0.000 0.242 308 R C 2.197 178.506 176.300 0.015 0.000 1.142 308 R CA 2.094 58.175 56.100 -0.032 0.000 0.960 308 R CB -0.615 29.665 30.300 -0.033 0.000 0.858 308 R HN 0.606 nan 8.270 nan 0.000 0.439 309 E N 0.443 120.624 120.200 -0.031 0.000 2.077 309 E HA -0.158 4.210 4.350 0.030 0.000 0.193 309 E C 1.901 178.529 176.600 0.048 0.000 0.989 309 E CA 1.275 57.681 56.400 0.010 0.000 0.800 309 E CB 0.194 29.893 29.700 -0.002 0.000 0.746 309 E HN 0.106 nan 8.360 nan 0.000 0.452 310 V N 0.543 120.485 119.914 0.047 0.000 2.307 310 V HA -0.231 3.908 4.120 0.030 0.000 0.245 310 V C 2.479 178.665 176.094 0.154 0.000 1.045 310 V CA 1.357 63.723 62.300 0.109 0.000 1.024 310 V CB -0.369 31.568 31.823 0.191 0.000 0.651 310 V HN 0.187 nan 8.190 nan 0.000 0.449 311 V N -0.082 119.940 119.914 0.180 0.000 2.282 311 V HA -0.253 3.885 4.120 0.030 0.000 0.249 311 V C 2.629 178.885 176.094 0.271 0.000 1.057 311 V CA 2.093 64.590 62.300 0.328 0.000 1.032 311 V CB -0.619 31.390 31.823 0.311 0.000 0.645 311 V HN 0.541 nan 8.190 nan 0.000 0.447 312 E N 0.231 120.527 120.200 0.161 0.000 2.158 312 E HA -0.161 4.207 4.350 0.030 0.000 0.191 312 E C 2.347 179.012 176.600 0.108 0.000 0.982 312 E CA 1.162 57.631 56.400 0.115 0.000 0.823 312 E CB -0.321 29.424 29.700 0.075 0.000 0.766 312 E HN 0.785 nan 8.360 nan 0.000 0.468 313 R N 0.841 121.404 120.500 0.104 0.000 2.115 313 R HA 0.021 4.379 4.340 0.030 0.000 0.230 313 R C 1.750 178.114 176.300 0.107 0.000 1.111 313 R CA 1.315 57.468 56.100 0.089 0.000 0.976 313 R CB -0.306 30.038 30.300 0.073 0.000 0.870 313 R HN 0.035 nan 8.270 nan 0.000 0.445 314 N N 0.919 119.708 118.700 0.148 0.000 2.171 314 N HA -0.056 4.702 4.740 0.030 0.000 0.184 314 N C 1.808 177.448 175.510 0.218 0.000 1.021 314 N CA 0.978 54.119 53.050 0.152 0.000 0.854 314 N CB -0.127 38.393 38.487 0.056 0.000 0.994 314 N HN 0.326 nan 8.380 nan 0.000 0.426 315 R N 0.995 121.659 120.500 0.273 0.000 2.096 315 R HA -0.013 4.345 4.340 0.030 0.000 0.235 315 R C 2.191 178.548 176.300 0.095 0.000 1.127 315 R CA 1.242 57.446 56.100 0.174 0.000 0.968 315 R CB -0.238 30.126 30.300 0.107 0.000 0.861 315 R HN 0.168 nan 8.270 nan 0.000 0.440 316 A N 0.845 123.715 122.820 0.084 0.000 2.015 316 A HA -0.046 4.292 4.320 0.030 0.000 0.219 316 A C 2.116 179.728 177.584 0.047 0.000 1.163 316 A CA 1.527 53.596 52.037 0.054 0.000 0.646 316 A CB -0.302 18.727 19.000 0.049 0.000 0.806 316 A HN 0.385 nan 8.150 nan 0.000 0.448 317 A N -1.856 120.998 122.820 0.057 0.000 2.238 317 A HA 0.229 4.567 4.320 0.030 0.000 0.208 317 A C 0.810 178.409 177.584 0.025 0.000 1.177 317 A CA 0.762 52.823 52.037 0.040 0.000 0.804 317 A CB -0.149 18.877 19.000 0.043 0.000 0.823 317 A HN 0.431 nan 8.150 nan 0.000 0.482 318 Q N -2.164 117.656 119.800 0.033 0.000 2.478 318 Q HA -0.198 4.160 4.340 0.030 0.000 0.286 318 Q C -0.408 175.588 176.000 -0.008 0.000 1.299 318 Q CA 0.630 56.441 55.803 0.014 0.000 0.826 318 Q CB -2.399 26.338 28.738 -0.002 0.000 1.199 318 Q HN 0.554 nan 8.270 nan 0.000 0.451 319 L N 1.406 122.645 121.223 0.027 0.000 2.319 319 L HA 0.346 4.704 4.340 0.030 0.000 0.280 319 L C -1.986 174.878 176.870 -0.009 0.000 1.099 319 L CA -1.252 53.579 54.840 -0.015 0.000 0.828 319 L CB 0.702 42.768 42.059 0.011 0.000 1.150 319 L HN -0.148 nan 8.230 nan 0.000 0.442 320 P HA 0.100 nan 4.420 nan 0.000 0.267 320 P C -1.803 175.522 177.300 0.042 0.000 1.205 320 P CA 0.395 63.251 63.100 -0.407 0.000 0.765 320 P CB 0.220 31.255 31.700 -1.109 0.000 0.828 321 Y N 2.623 122.971 120.300 0.081 0.000 2.234 321 Y HA 0.191 4.757 4.550 0.026 0.000 0.317 321 Y C -0.606 175.401 175.900 0.178 0.000 1.220 321 Y CA -0.951 57.306 58.100 0.261 0.000 1.311 321 Y CB 0.289 38.868 38.460 0.200 0.000 1.266 321 Y HN 0.263 nan 8.280 nan 0.000 0.396 322 D N 2.745 123.352 120.400 0.345 0.000 2.324 322 D HA 0.265 4.923 4.640 0.030 0.000 0.212 322 D C -0.359 175.892 176.300 -0.081 0.000 0.984 322 D CA 1.178 55.235 54.000 0.094 0.000 0.885 322 D CB 0.853 41.743 40.800 0.150 0.000 0.996 322 D HN 0.156 nan 8.370 nan 0.000 0.505 323 V N 0.960 120.857 119.914 -0.028 0.000 2.656 323 V HA 0.450 4.588 4.120 0.030 0.000 0.307 323 V C -0.799 175.437 176.094 0.236 0.000 1.051 323 V CA -0.975 61.291 62.300 -0.057 0.000 0.893 323 V CB 1.895 33.538 31.823 -0.301 0.000 0.999 323 V HN -0.160 nan 8.190 nan 0.000 0.426 324 Q N 2.749 122.696 119.800 0.244 0.000 2.322 324 Q HA 0.439 4.797 4.340 0.030 0.000 0.265 324 Q C -0.893 175.392 176.000 0.475 0.000 0.985 324 Q CA -0.190 55.862 55.803 0.414 0.000 0.849 324 Q CB 1.079 30.023 28.738 0.344 0.000 1.274 324 Q HN 0.832 nan 8.270 nan 0.000 0.449 325 H N 1.644 120.909 119.070 0.325 0.000 2.467 325 H HA 0.723 5.296 4.556 0.028 0.000 0.331 325 H C -0.982 174.641 175.328 0.490 0.000 1.120 325 H CA -0.872 55.405 56.048 0.381 0.000 1.270 325 H CB 1.767 31.693 29.762 0.272 0.000 1.466 325 H HN 0.713 nan 8.280 nan 0.000 0.504 326 A N 3.710 126.867 122.820 0.562 0.000 2.267 326 A HA 0.148 4.486 4.320 0.030 0.000 0.315 326 A C -0.082 177.824 177.584 0.535 0.000 1.297 326 A CA -0.713 51.645 52.037 0.534 0.000 0.865 326 A CB 0.622 19.867 19.000 0.408 0.000 1.165 326 A HN 0.714 nan 8.150 nan 0.000 0.513 327 D N 1.467 122.144 120.400 0.463 0.000 2.440 327 D HA 0.161 4.819 4.640 0.030 0.000 0.269 327 D C 1.812 178.088 176.300 -0.039 0.000 1.249 327 D CA -0.112 53.994 54.000 0.176 0.000 1.055 327 D CB 0.586 41.546 40.800 0.268 0.000 1.104 327 D HN 0.509 nan 8.370 nan 0.000 0.561 328 I N -1.213 119.170 120.570 -0.310 0.000 2.700 328 I HA -0.159 4.029 4.170 0.030 0.000 0.261 328 I C 1.193 177.048 176.117 -0.435 0.000 1.219 328 I CA 0.860 61.852 61.300 -0.514 0.000 1.463 328 I CB -0.493 37.098 38.000 -0.683 0.000 1.092 328 I HN 0.178 nan 8.210 nan 0.000 0.452 329 D N 1.985 122.270 120.400 -0.192 0.000 2.309 329 D HA -0.297 4.361 4.640 0.030 0.000 0.212 329 D C 2.013 178.012 176.300 -0.503 0.000 0.968 329 D CA 1.434 55.343 54.000 -0.152 0.000 0.882 329 D CB -0.895 39.974 40.800 0.116 0.000 0.918 329 D HN 0.760 nan 8.370 nan 0.000 0.503 330 Y N 0.637 120.428 120.300 -0.849 0.000 2.352 330 Y HA 0.128 4.695 4.550 0.028 0.000 0.292 330 Y C 1.311 176.832 175.900 -0.631 0.000 1.136 330 Y CA -0.416 56.787 58.100 -1.494 0.000 1.227 330 Y CB -0.624 37.158 38.460 -1.129 0.000 0.991 330 Y HN -0.194 nan 8.280 nan 0.000 0.545 331 M N 1.370 120.466 119.600 -0.841 0.000 2.202 331 M HA 0.058 4.556 4.480 0.030 0.000 0.316 331 M C -0.395 175.767 176.300 -0.230 0.000 1.138 331 M CA -0.230 54.751 55.300 -0.532 0.000 1.151 331 M CB 0.265 32.460 32.600 -0.675 0.000 1.422 331 M HN 0.039 nan 8.290 nan 0.000 0.471 332 D N 2.211 122.537 120.400 -0.124 0.000 2.393 332 D HA 0.033 4.691 4.640 0.030 0.000 0.232 332 D C -0.315 175.912 176.300 -0.121 0.000 1.192 332 D CA 0.426 54.379 54.000 -0.079 0.000 0.882 332 D CB 0.206 40.980 40.800 -0.043 0.000 1.038 332 D HN 0.518 nan 8.370 nan 0.000 0.499 333 E N 3.286 123.421 120.200 -0.109 0.000 2.476 333 E HA -0.295 4.073 4.350 0.030 0.000 0.251 333 E C 0.027 176.549 176.600 -0.130 0.000 1.130 333 E CA 0.483 56.821 56.400 -0.104 0.000 0.736 333 E CB -1.271 28.371 29.700 -0.097 0.000 1.298 333 E HN 0.788 nan 8.360 nan 0.000 0.400 334 R N -1.538 118.853 120.500 -0.182 0.000 3.651 334 R HA -0.217 4.141 4.340 0.030 0.000 0.292 334 R C 0.068 176.252 176.300 -0.192 0.000 1.161 334 R CA 1.345 57.321 56.100 -0.208 0.000 0.787 334 R CB -1.222 29.027 30.300 -0.086 0.000 1.249 334 R HN 0.256 nan 8.270 nan 0.000 0.476 335 R N 0.874 121.233 120.500 -0.236 0.000 2.393 335 R HA 0.191 4.549 4.340 0.030 0.000 0.310 335 R C -0.314 175.861 176.300 -0.208 0.000 0.968 335 R CA -1.090 54.878 56.100 -0.220 0.000 0.867 335 R CB 1.086 31.172 30.300 -0.356 0.000 1.124 335 R HN -0.021 nan 8.270 nan 0.000 0.450 336 D N 2.027 122.306 120.400 -0.201 0.000 2.478 336 D HA -0.073 4.585 4.640 0.030 0.000 0.234 336 D C 0.342 176.343 176.300 -0.499 0.000 1.154 336 D CA 0.912 54.556 54.000 -0.593 0.000 0.874 336 D CB 0.195 40.466 40.800 -0.882 0.000 1.198 336 D HN 0.419 nan 8.370 nan 0.000 0.455 337 F N -1.970 117.612 119.950 -0.613 0.000 3.018 337 F HA -0.252 4.292 4.527 0.029 0.000 0.287 337 F C 0.868 176.339 175.800 -0.549 0.000 0.813 337 F CA 0.777 58.167 58.000 -1.016 0.000 1.209 337 F CB -2.727 35.941 39.000 -0.553 0.000 1.321 337 F HN 0.308 nan 8.300 nan 0.000 0.477 338 T N -2.378 112.049 114.554 -0.210 0.000 2.901 338 T HA 0.804 5.172 4.350 0.030 0.000 0.293 338 T C -0.774 174.191 174.700 0.440 0.000 1.084 338 T CA -0.510 61.707 62.100 0.195 0.000 1.008 338 T CB 3.158 72.087 68.868 0.102 0.000 1.170 338 T HN 0.525 nan 8.240 nan 0.000 0.509 339 Y N -1.023 119.540 120.300 0.438 0.000 2.576 339 Y HA 0.708 5.280 4.550 0.038 0.000 0.346 339 Y C -0.630 175.377 175.900 0.179 0.000 1.018 339 Y CA -1.490 56.817 58.100 0.346 0.000 1.050 339 Y CB 1.071 39.865 38.460 0.556 0.000 1.280 339 Y HN 0.607 nan 8.280 nan 0.000 0.474 340 D N 1.705 122.260 120.400 0.259 0.000 2.342 340 D HA 0.028 4.687 4.640 0.030 0.000 0.260 340 D C 0.975 177.439 176.300 0.273 0.000 1.278 340 D CA 0.613 54.725 54.000 0.187 0.000 0.910 340 D CB 1.058 41.977 40.800 0.197 0.000 1.079 340 D HN 0.759 nan 8.370 nan 0.000 0.496 341 S N 2.083 117.844 115.700 0.102 0.000 2.507 341 S HA -0.079 4.409 4.470 0.030 0.000 0.235 341 S C 1.533 176.217 174.600 0.141 0.000 0.988 341 S CA 0.411 58.676 58.200 0.108 0.000 0.944 341 S CB 0.224 63.422 63.200 -0.005 0.000 0.762 341 S HN 0.328 nan 8.310 nan 0.000 0.526 342 V N 1.388 121.375 119.914 0.122 0.000 2.735 342 V HA 0.070 4.208 4.120 0.030 0.000 0.234 342 V C 2.061 178.200 176.094 0.075 0.000 1.121 342 V CA 1.043 63.393 62.300 0.083 0.000 1.160 342 V CB -0.578 31.276 31.823 0.051 0.000 0.908 342 V HN 0.298 nan 8.190 nan 0.000 0.495 343 D N -0.059 120.401 120.400 0.100 0.000 2.219 343 D HA -0.060 4.598 4.640 0.030 0.000 0.205 343 D C 0.936 177.174 176.300 -0.102 0.000 0.970 343 D CA 1.423 55.446 54.000 0.038 0.000 0.851 343 D CB -0.004 40.876 40.800 0.135 0.000 0.943 343 D HN 0.448 nan 8.370 nan 0.000 0.488 344 F N 0.385 120.342 119.950 0.011 0.000 2.850 344 F HA 0.195 4.755 4.527 0.055 0.000 0.329 344 F C 0.691 176.569 175.800 0.130 0.000 1.182 344 F CA -0.731 57.247 58.000 -0.037 0.000 1.270 344 F CB 0.355 39.246 39.000 -0.182 0.000 0.979 344 F HN -0.379 nan 8.300 nan 0.000 0.506 345 K N 0.534 121.065 120.400 0.219 0.000 2.412 345 K HA 0.365 4.703 4.320 0.030 0.000 0.281 345 K C 1.187 177.888 176.600 0.168 0.000 1.027 345 K CA 1.102 57.533 56.287 0.241 0.000 0.989 345 K CB 0.346 32.931 32.500 0.142 0.000 0.935 345 K HN 0.529 nan 8.250 nan 0.000 0.475 346 G N 4.309 113.231 108.800 0.204 0.000 2.141 346 G HA2 -0.263 3.715 3.960 0.030 0.000 0.242 346 G HA3 -0.263 3.715 3.960 0.030 0.000 0.242 346 G C 0.365 175.367 174.900 0.170 0.000 0.982 346 G CA 0.081 45.265 45.100 0.139 0.000 0.662 346 G HN 0.683 nan 8.290 nan 0.000 0.527 347 F N 2.060 121.959 119.950 -0.085 0.000 2.087 347 F HA -0.011 4.519 4.527 0.004 0.000 0.299 347 F C 0.487 176.204 175.800 -0.137 0.000 1.100 347 F CA 1.925 59.824 58.000 -0.168 0.000 1.226 347 F CB -1.262 37.423 39.000 -0.525 0.000 0.983 347 F HN 0.287 nan 8.300 nan 0.000 0.479 348 P HA -0.150 nan 4.420 nan 0.000 0.217 348 P C 1.347 178.559 177.300 -0.146 0.000 1.150 348 P CA 1.829 64.794 63.100 -0.226 0.000 0.832 348 P CB -0.016 31.603 31.700 -0.134 0.000 0.787 349 E N -1.385 118.792 120.200 -0.037 0.000 2.072 349 E HA -0.157 4.211 4.350 0.030 0.000 0.191 349 E C 1.691 178.277 176.600 -0.023 0.000 0.985 349 E CA 0.856 57.242 56.400 -0.024 0.000 0.801 349 E CB -0.996 28.718 29.700 0.023 0.000 0.750 349 E HN 0.237 nan 8.360 nan 0.000 0.452 350 F N 0.534 120.424 119.950 -0.099 0.000 2.171 350 F HA -0.198 4.310 4.527 -0.033 0.000 0.300 350 F C 1.885 177.549 175.800 -0.226 0.000 1.090 350 F CA 0.916 58.858 58.000 -0.096 0.000 1.293 350 F CB -0.199 38.827 39.000 0.042 0.000 1.013 350 F HN -0.157 nan 8.300 nan 0.000 0.486 351 V N 1.151 120.822 119.914 -0.405 0.000 2.287 351 V HA -0.353 3.785 4.120 0.030 0.000 0.248 351 V C 2.183 177.819 176.094 -0.762 0.000 1.053 351 V CA 2.258 64.132 62.300 -0.710 0.000 1.027 351 V CB -0.883 30.548 31.823 -0.653 0.000 0.646 351 V HN 0.369 nan 8.190 nan 0.000 0.447 352 N N 0.093 118.535 118.700 -0.430 0.000 2.166 352 N HA -0.169 4.589 4.740 0.030 0.000 0.186 352 N C 1.804 177.155 175.510 -0.264 0.000 1.019 352 N CA 1.458 54.347 53.050 -0.267 0.000 0.856 352 N CB -0.283 38.114 38.487 -0.151 0.000 0.993 352 N HN 0.619 nan 8.380 nan 0.000 0.426 353 E N 0.602 120.617 120.200 -0.308 0.000 2.051 353 E HA -0.105 4.263 4.350 0.030 0.000 0.192 353 E C 2.064 178.447 176.600 -0.361 0.000 0.991 353 E CA 0.675 56.906 56.400 -0.281 0.000 0.799 353 E CB -0.201 29.357 29.700 -0.236 0.000 0.748 353 E HN 0.266 nan 8.360 nan 0.000 0.449 354 L N 0.347 121.215 121.223 -0.592 0.000 1.990 354 L HA -0.272 4.086 4.340 0.030 0.000 0.213 354 L C 2.459 179.138 176.870 -0.318 0.000 1.072 354 L CA 1.760 56.269 54.840 -0.551 0.000 0.755 354 L CB -0.703 40.912 42.059 -0.739 0.000 0.889 354 L HN 0.303 nan 8.230 nan 0.000 0.432 355 H N -1.399 117.471 119.070 -0.333 0.000 2.353 355 H HA -0.183 4.398 4.556 0.040 0.000 0.300 355 H C 2.074 177.273 175.328 -0.216 0.000 1.090 355 H CA 1.289 57.173 56.048 -0.273 0.000 1.327 355 H CB 0.037 29.649 29.762 -0.250 0.000 1.383 355 H HN 0.317 nan 8.280 nan 0.000 0.508 356 N N 0.972 119.629 118.700 -0.072 0.000 2.309 356 N HA -0.113 4.645 4.740 0.030 0.000 0.182 356 N C 0.903 176.354 175.510 -0.097 0.000 1.018 356 N CA 0.960 53.960 53.050 -0.084 0.000 0.876 356 N CB -0.133 38.302 38.487 -0.087 0.000 0.972 356 N HN 0.358 nan 8.380 nan 0.000 0.434 357 N N -0.880 117.741 118.700 -0.132 0.000 2.461 357 N HA 0.083 4.841 4.740 0.030 0.000 0.188 357 N C 0.486 175.920 175.510 -0.127 0.000 1.134 357 N CA 0.408 53.377 53.050 -0.135 0.000 0.878 357 N CB 0.145 38.520 38.487 -0.186 0.000 0.972 357 N HN 0.322 nan 8.380 nan 0.000 0.456 358 G N 0.961 109.687 108.800 -0.123 0.000 2.136 358 G HA2 -0.279 3.699 3.960 0.030 0.000 0.242 358 G HA3 -0.279 3.699 3.960 0.030 0.000 0.242 358 G C -0.134 174.669 174.900 -0.162 0.000 0.989 358 G CA 0.014 45.042 45.100 -0.120 0.000 0.682 358 G HN 0.343 nan 8.290 nan 0.000 0.522 359 Q N -0.716 118.960 119.800 -0.207 0.000 2.306 359 Q HA 0.720 5.079 4.340 0.030 0.000 0.269 359 Q C -0.162 175.668 176.000 -0.283 0.000 1.053 359 Q CA -0.902 54.738 55.803 -0.272 0.000 0.879 359 Q CB 1.382 29.905 28.738 -0.359 0.000 1.344 359 Q HN 0.114 nan 8.270 nan 0.000 0.464 360 K N 0.998 121.175 120.400 -0.371 0.000 2.328 360 K HA 0.511 4.849 4.320 0.030 0.000 0.246 360 K C -1.323 175.117 176.600 -0.267 0.000 0.955 360 K CA -0.962 55.048 56.287 -0.462 0.000 0.817 360 K CB 1.855 33.699 32.500 -1.094 0.000 1.208 360 K HN 0.378 nan 8.250 nan 0.000 0.432 361 L N 1.465 122.588 121.223 -0.166 0.000 2.313 361 L HA 0.409 4.767 4.340 0.030 0.000 0.283 361 L C -1.226 175.689 176.870 0.074 0.000 1.013 361 L CA -0.636 54.188 54.840 -0.027 0.000 0.816 361 L CB 1.751 43.774 42.059 -0.060 0.000 1.236 361 L HN 0.300 nan 8.230 nan 0.000 0.419 362 V N 6.482 126.439 119.914 0.072 0.000 2.417 362 V HA 0.468 4.606 4.120 0.030 0.000 0.291 362 V C 0.127 176.313 176.094 0.153 0.000 1.024 362 V CA -0.514 61.842 62.300 0.093 0.000 0.861 362 V CB 1.459 33.160 31.823 -0.204 0.000 0.985 362 V HN 0.746 nan 8.190 nan 0.000 0.436 363 I N 3.041 123.702 120.570 0.152 0.000 2.437 363 I HA 0.623 4.811 4.170 0.030 0.000 0.298 363 I C -0.122 176.113 176.117 0.196 0.000 0.984 363 I CA -0.576 60.787 61.300 0.105 0.000 1.214 363 I CB 1.558 39.453 38.000 -0.174 0.000 1.365 363 I HN 0.491 nan 8.210 nan 0.000 0.469 364 I N 5.617 126.309 120.570 0.203 0.000 2.575 364 I HA 0.384 4.572 4.170 0.030 0.000 0.285 364 I C -0.646 175.451 176.117 -0.034 0.000 1.085 364 I CA -0.168 61.048 61.300 -0.141 0.000 1.403 364 I CB 1.028 38.603 38.000 -0.708 0.000 1.409 364 I HN 0.449 nan 8.210 nan 0.000 0.557 365 V N 6.127 126.005 119.914 -0.060 0.000 2.841 365 V HA 0.453 4.591 4.120 0.030 0.000 0.310 365 V C -0.928 175.200 176.094 0.056 0.000 1.090 365 V CA -0.914 61.364 62.300 -0.036 0.000 0.930 365 V CB 2.057 33.922 31.823 0.070 0.000 1.014 365 V HN 0.609 nan 8.190 nan 0.000 0.425 366 D N 4.144 124.581 120.400 0.061 0.000 2.252 366 D HA 0.420 5.079 4.640 0.030 0.000 0.245 366 D C -1.766 174.712 176.300 0.296 0.000 1.009 366 D CA -1.483 52.607 54.000 0.150 0.000 0.870 366 D CB 2.632 43.505 40.800 0.123 0.000 1.251 366 D HN 0.231 nan 8.370 nan 0.000 0.460 367 P HA -0.037 nan 4.420 nan 0.000 0.217 367 P C 0.157 177.645 177.300 0.314 0.000 1.151 367 P CA 0.697 64.049 63.100 0.420 0.000 0.828 367 P CB 0.252 32.273 31.700 0.536 0.000 0.788 368 A N 0.868 123.754 122.820 0.109 0.000 2.409 368 A HA 0.408 4.747 4.320 0.030 0.000 0.262 368 A C 0.145 177.669 177.584 -0.101 0.000 1.113 368 A CA -0.055 51.859 52.037 -0.205 0.000 0.790 368 A CB -0.366 18.333 19.000 -0.502 0.000 1.046 368 A HN -0.033 nan 8.150 nan 0.000 0.496 369 I N 2.158 122.643 120.570 -0.141 0.000 2.378 369 I HA 0.199 4.387 4.170 0.030 0.000 0.291 369 I C 0.913 176.948 176.117 -0.137 0.000 0.992 369 I CA -0.184 61.160 61.300 0.073 0.000 1.154 369 I CB 1.259 39.451 38.000 0.321 0.000 1.315 369 I HN 0.663 nan 8.210 nan 0.000 0.448 370 S N 5.166 120.816 115.700 -0.083 0.000 2.575 370 S HA -0.064 4.424 4.470 0.030 0.000 0.295 370 S C 1.229 175.587 174.600 -0.402 0.000 1.267 370 S CA -0.196 57.831 58.200 -0.288 0.000 1.074 370 S CB -0.093 62.826 63.200 -0.467 0.000 0.829 370 S HN 0.686 nan 8.310 nan 0.000 0.497 371 N N 4.004 122.322 118.700 -0.636 0.000 2.362 371 N HA -0.022 4.736 4.740 0.030 0.000 0.204 371 N C -0.297 174.734 175.510 -0.797 0.000 1.166 371 N CA -0.130 52.204 53.050 -1.192 0.000 0.831 371 N CB -0.407 37.543 38.487 -0.894 0.000 1.008 371 N HN 0.400 nan 8.380 nan 0.000 0.472 372 N N 0.589 119.013 118.700 -0.461 0.000 2.555 372 N HA 0.114 4.872 4.740 0.030 0.000 0.244 372 N C -1.566 173.865 175.510 -0.131 0.000 1.114 372 N CA 0.020 52.912 53.050 -0.263 0.000 0.963 372 N CB 0.191 38.548 38.487 -0.216 0.000 1.276 372 N HN 0.199 nan 8.380 nan 0.000 0.510 373 S N 1.421 117.094 115.700 -0.045 0.000 2.548 373 S HA 0.735 5.223 4.470 0.030 0.000 0.276 373 S C -1.075 173.589 174.600 0.106 0.000 1.129 373 S CA -0.538 57.736 58.200 0.124 0.000 0.931 373 S CB 0.559 63.963 63.200 0.339 0.000 1.068 373 S HN 0.528 nan 8.310 nan 0.000 0.480 374 S N 2.542 118.299 115.700 0.095 0.000 2.685 374 S HA 0.566 5.054 4.470 0.030 0.000 0.282 374 S C 0.821 175.465 174.600 0.075 0.000 1.159 374 S CA -0.609 57.635 58.200 0.075 0.000 0.833 374 S CB 0.986 64.211 63.200 0.042 0.000 1.151 374 S HN 0.504 nan 8.310 nan 0.000 0.485 375 S N 1.199 116.934 115.700 0.059 0.000 2.370 375 S HA -0.122 4.366 4.470 0.030 0.000 0.226 375 S C 1.937 176.565 174.600 0.046 0.000 1.033 375 S CA 1.834 60.064 58.200 0.051 0.000 1.011 375 S CB -0.578 62.645 63.200 0.039 0.000 0.852 375 S HN 0.835 nan 8.310 nan 0.000 0.457 376 S N -0.192 115.532 115.700 0.039 0.000 2.489 376 S HA 0.111 4.600 4.470 0.030 0.000 0.228 376 S C 0.604 175.227 174.600 0.038 0.000 0.995 376 S CA 0.671 58.890 58.200 0.033 0.000 0.934 376 S CB 0.082 63.296 63.200 0.024 0.000 0.771 376 S HN 0.223 nan 8.310 nan 0.000 0.522 377 K N 1.815 122.245 120.400 0.049 0.000 3.200 377 K HA 0.367 4.706 4.320 0.030 0.000 0.179 377 K C -3.049 173.608 176.600 0.094 0.000 1.153 377 K CA -1.732 54.590 56.287 0.058 0.000 0.836 377 K CB 1.464 33.986 32.500 0.036 0.000 1.051 377 K HN 0.142 nan 8.250 nan 0.000 0.594 378 P HA -0.032 nan 4.420 nan 0.000 0.268 378 P C -1.041 176.398 177.300 0.233 0.000 1.205 378 P CA -0.162 63.031 63.100 0.154 0.000 0.771 378 P CB 0.452 32.221 31.700 0.116 0.000 0.858 379 Y N 2.104 122.481 120.300 0.129 0.000 2.575 379 Y HA 0.438 5.005 4.550 0.029 0.000 0.326 379 Y C 1.454 177.481 175.900 0.211 0.000 0.979 379 Y CA -0.403 57.785 58.100 0.146 0.000 1.286 379 Y CB 0.549 39.085 38.460 0.127 0.000 1.093 379 Y HN 0.549 nan 8.280 nan 0.000 0.501 380 G N 5.828 114.589 108.800 -0.065 0.000 2.529 380 G HA2 -0.266 3.713 3.960 0.030 0.000 0.219 380 G HA3 -0.266 3.713 3.960 0.030 0.000 0.219 380 G C -0.766 174.065 174.900 -0.114 0.000 1.177 380 G CA 1.029 46.080 45.100 -0.081 0.000 0.773 380 G HN 0.569 nan 8.290 nan 0.000 0.573 381 P HA -0.182 nan 4.420 nan 0.000 0.216 381 P C 1.436 179.006 177.300 0.449 0.000 1.153 381 P CA 1.252 64.369 63.100 0.028 0.000 0.858 381 P CB -0.130 31.549 31.700 -0.035 0.000 0.789 382 Y N 0.633 121.027 120.300 0.157 0.000 2.220 382 Y HA -0.141 4.426 4.550 0.030 0.000 0.291 382 Y C 1.759 177.883 175.900 0.373 0.000 1.129 382 Y CA 1.572 59.921 58.100 0.414 0.000 1.161 382 Y CB -0.800 37.864 38.460 0.339 0.000 0.997 382 Y HN -0.133 nan 8.280 nan 0.000 0.522 383 D N 0.020 120.495 120.400 0.125 0.000 2.097 383 D HA -0.144 4.514 4.640 0.030 0.000 0.195 383 D C 2.251 178.537 176.300 -0.024 0.000 0.989 383 D CA 1.466 55.464 54.000 -0.004 0.000 0.827 383 D CB -0.328 40.518 40.800 0.077 0.000 0.966 383 D HN 0.351 nan 8.370 nan 0.000 0.456 384 R N 0.227 120.769 120.500 0.071 0.000 2.096 384 R HA -0.043 4.315 4.340 0.030 0.000 0.235 384 R C 2.349 178.645 176.300 -0.006 0.000 1.127 384 R CA 1.271 57.429 56.100 0.096 0.000 0.968 384 R CB -0.439 29.971 30.300 0.184 0.000 0.861 384 R HN 0.185 nan 8.270 nan 0.000 0.440 385 G N -0.244 108.480 108.800 -0.127 0.000 2.403 385 G HA2 -0.191 3.787 3.960 0.030 0.000 0.216 385 G HA3 -0.191 3.787 3.960 0.030 0.000 0.216 385 G C 1.407 175.661 174.900 -1.076 0.000 1.154 385 G CA 0.520 44.926 45.100 -1.157 0.000 0.784 385 G HN 0.208 nan 8.290 nan 0.000 0.538 386 S N 1.215 116.670 115.700 -0.409 0.000 2.356 386 S HA -0.104 4.385 4.470 0.030 0.000 0.223 386 S C 2.011 176.459 174.600 -0.254 0.000 1.032 386 S CA 1.398 59.466 58.200 -0.219 0.000 1.005 386 S CB -0.336 62.731 63.200 -0.221 0.000 0.867 386 S HN 0.332 nan 8.310 nan 0.000 0.449 387 D N 1.535 121.812 120.400 -0.205 0.000 2.133 387 D HA -0.121 4.538 4.640 0.030 0.000 0.192 387 D C 1.707 177.896 176.300 -0.185 0.000 1.001 387 D CA 1.297 55.209 54.000 -0.146 0.000 0.844 387 D CB -0.301 40.443 40.800 -0.094 0.000 0.944 387 D HN 0.374 nan 8.370 nan 0.000 0.447 388 M N -0.351 119.084 119.600 -0.274 0.000 2.562 388 M HA 0.017 4.515 4.480 0.030 0.000 0.257 388 M C -0.076 176.011 176.300 -0.355 0.000 1.099 388 M CA 0.462 55.591 55.300 -0.284 0.000 1.099 388 M CB 0.196 32.632 32.600 -0.274 0.000 1.427 388 M HN -0.129 nan 8.290 nan 0.000 0.489 389 K N 0.654 120.785 120.400 -0.448 0.000 3.125 389 K HA -0.172 4.166 4.320 0.030 0.000 0.268 389 K C -0.070 176.239 176.600 -0.485 0.000 1.078 389 K CA 0.542 56.592 56.287 -0.396 0.000 0.775 389 K CB -2.398 29.979 32.500 -0.204 0.000 1.253 389 K HN 0.453 nan 8.250 nan 0.000 0.486 390 I N -3.953 116.109 120.570 -0.847 0.000 3.914 390 I HA 0.207 4.395 4.170 0.030 0.000 0.333 390 I C 0.404 176.102 176.117 -0.698 0.000 1.449 390 I CA -0.560 60.288 61.300 -0.754 0.000 1.135 390 I CB -0.159 37.346 38.000 -0.826 0.000 1.073 390 I HN 0.170 nan 8.210 nan 0.000 0.401 391 W N 0.299 121.422 121.300 -0.295 0.000 2.215 391 W HA 0.581 5.258 4.660 0.029 0.000 0.342 391 W C 0.218 176.676 176.519 -0.101 0.000 1.237 391 W CA -1.393 55.830 57.345 -0.203 0.000 1.283 391 W CB 0.521 29.901 29.460 -0.133 0.000 1.131 391 W HN -0.299 nan 8.180 nan 0.000 0.606 392 V N 3.493 123.555 119.914 0.248 0.000 2.529 392 V HA -0.053 4.085 4.120 0.030 0.000 0.292 392 V C 0.207 176.397 176.094 0.160 0.000 1.028 392 V CA -0.260 62.141 62.300 0.169 0.000 1.074 392 V CB -0.494 31.437 31.823 0.180 0.000 0.958 392 V HN 0.442 nan 8.190 nan 0.000 0.481 393 N N 2.607 121.371 118.700 0.108 0.000 2.492 393 N HA 0.380 5.138 4.740 0.030 0.000 0.289 393 N C 0.105 175.655 175.510 0.067 0.000 1.133 393 N CA -0.364 52.740 53.050 0.089 0.000 0.961 393 N CB 1.430 39.959 38.487 0.070 0.000 1.186 393 N HN 0.661 nan 8.380 nan 0.000 0.493 394 S N -0.144 115.588 115.700 0.054 0.000 2.598 394 S HA -0.024 4.464 4.470 0.030 0.000 0.256 394 S C 1.530 176.148 174.600 0.030 0.000 1.350 394 S CA -0.370 57.850 58.200 0.033 0.000 0.984 394 S CB 0.310 63.524 63.200 0.023 0.000 0.930 394 S HN 0.690 nan 8.310 nan 0.000 0.577 395 S N 0.863 116.575 115.700 0.019 0.000 2.469 395 S HA -0.166 4.322 4.470 0.030 0.000 0.238 395 S C 1.187 175.798 174.600 0.019 0.000 0.998 395 S CA 1.301 59.512 58.200 0.018 0.000 0.957 395 S CB -0.634 62.570 63.200 0.008 0.000 0.764 395 S HN 0.819 nan 8.310 nan 0.000 0.514 396 D N 1.051 121.462 120.400 0.018 0.000 2.350 396 D HA 0.104 4.762 4.640 0.030 0.000 0.216 396 D C 1.569 177.883 176.300 0.024 0.000 0.968 396 D CA 0.835 54.846 54.000 0.018 0.000 0.894 396 D CB -1.202 39.608 40.800 0.015 0.000 0.909 396 D HN 0.656 nan 8.370 nan 0.000 0.520 397 G N -0.433 108.385 108.800 0.030 0.000 2.162 397 G HA2 -0.306 3.672 3.960 0.030 0.000 0.260 397 G HA3 -0.306 3.672 3.960 0.030 0.000 0.260 397 G C 0.924 175.845 174.900 0.035 0.000 0.976 397 G CA 1.204 46.325 45.100 0.036 0.000 0.655 397 G HN 1.018 nan 8.290 nan 0.000 0.533 398 V N -4.561 115.373 119.914 0.034 0.000 3.332 398 V HA 0.447 4.585 4.120 0.030 0.000 0.263 398 V C 0.725 176.845 176.094 0.043 0.000 1.562 398 V CA 0.992 63.312 62.300 0.033 0.000 1.040 398 V CB 0.589 32.427 31.823 0.024 0.000 0.857 398 V HN 0.305 nan 8.190 nan 0.000 0.428 399 T N 4.133 118.715 114.554 0.046 0.000 2.743 399 T HA 0.530 4.899 4.350 0.030 0.000 0.292 399 T C -2.771 171.971 174.700 0.070 0.000 0.972 399 T CA -1.131 61.000 62.100 0.052 0.000 0.967 399 T CB 1.444 70.334 68.868 0.036 0.000 0.926 399 T HN 0.205 nan 8.240 nan 0.000 0.459 400 P HA 0.062 nan 4.420 nan 0.000 0.264 400 P C -0.130 177.211 177.300 0.069 0.000 1.183 400 P CA -0.375 62.794 63.100 0.115 0.000 0.763 400 P CB 0.441 32.209 31.700 0.113 0.000 0.807 401 L N 4.503 125.785 121.223 0.099 0.000 2.380 401 L HA 0.254 4.612 4.340 0.030 0.000 0.273 401 L C -0.332 176.609 176.870 0.118 0.000 1.138 401 L CA -0.140 54.757 54.840 0.096 0.000 0.832 401 L CB 0.148 42.264 42.059 0.095 0.000 1.124 401 L HN 0.193 nan 8.230 nan 0.000 0.454 402 I N 5.159 125.773 120.570 0.074 0.000 2.362 402 I HA 0.503 4.691 4.170 0.030 0.000 0.289 402 I C 0.632 176.814 176.117 0.109 0.000 0.994 402 I CA -0.203 61.115 61.300 0.030 0.000 1.158 402 I CB 0.547 38.526 38.000 -0.036 0.000 1.315 402 I HN 0.719 nan 8.210 nan 0.000 0.451 403 G N 4.999 113.903 108.800 0.174 0.000 3.262 403 G HA2 0.591 4.569 3.960 0.030 0.000 0.229 403 G HA3 0.591 4.569 3.960 0.030 0.000 0.229 403 G C -1.199 173.714 174.900 0.021 0.000 1.280 403 G CA -0.303 44.929 45.100 0.220 0.000 0.951 403 G HN 0.512 nan 8.290 nan 0.000 0.589 404 E N -0.784 119.428 120.200 0.021 0.000 2.274 404 E HA 0.528 4.896 4.350 0.030 0.000 0.269 404 E C -1.059 175.382 176.600 -0.265 0.000 0.891 404 E CA -0.499 55.855 56.400 -0.076 0.000 0.784 404 E CB 2.136 31.856 29.700 0.034 0.000 1.225 404 E HN 0.265 nan 8.360 nan 0.000 0.412 405 V N 2.902 122.557 119.914 -0.432 0.000 4.504 405 V HA 0.308 4.446 4.120 0.030 0.000 0.298 405 V C 0.872 176.700 176.094 -0.443 0.000 1.446 405 V CA -0.819 60.887 62.300 -0.991 0.000 0.890 405 V CB -0.055 31.204 31.823 -0.941 0.000 1.281 405 V HN 0.887 nan 8.190 nan 0.000 0.461 406 W N 0.764 121.956 121.300 -0.180 0.000 2.318 406 W HA -0.083 4.599 4.660 0.036 0.000 0.313 406 W C -0.543 175.967 176.519 -0.016 0.000 1.221 406 W CA 1.773 59.149 57.345 0.051 0.000 1.266 406 W CB -1.442 28.006 29.460 -0.020 0.000 1.150 406 W HN 0.487 nan 8.180 nan 0.000 0.496 407 P HA 0.295 nan 4.420 nan 0.000 0.257 407 P C 0.575 177.840 177.300 -0.057 0.000 1.281 407 P CA 1.338 64.428 63.100 -0.018 0.000 0.826 407 P CB 0.419 32.038 31.700 -0.134 0.000 1.237 408 G N -0.235 108.547 108.800 -0.029 0.000 2.418 408 G HA2 -0.171 3.807 3.960 0.030 0.000 0.206 408 G HA3 -0.171 3.807 3.960 0.030 0.000 0.206 408 G C -0.971 173.858 174.900 -0.119 0.000 1.202 408 G CA -0.823 44.245 45.100 -0.053 0.000 1.061 408 G HN 0.235 nan 8.290 nan 0.000 0.563 409 Q N 1.068 120.785 119.800 -0.138 0.000 2.349 409 Q HA 0.464 4.822 4.340 0.030 0.000 0.287 409 Q C 0.412 176.240 176.000 -0.285 0.000 1.044 409 Q CA 1.304 56.998 55.803 -0.182 0.000 0.918 409 Q CB 0.530 29.169 28.738 -0.164 0.000 1.242 409 Q HN 1.008 nan 8.270 nan 0.000 0.405 410 T N -2.210 112.131 114.554 -0.355 0.000 2.889 410 T HA 0.589 4.957 4.350 0.030 0.000 0.315 410 T C -0.378 173.934 174.700 -0.647 0.000 1.291 410 T CA -1.003 60.777 62.100 -0.532 0.000 1.028 410 T CB 0.867 69.328 68.868 -0.679 0.000 1.235 410 T HN 0.396 nan 8.240 nan 0.000 0.491 411 V N -0.808 118.659 119.914 -0.745 0.000 3.096 411 V HA 0.902 5.040 4.120 0.030 0.000 0.319 411 V C -1.009 174.600 176.094 -0.807 0.000 1.082 411 V CA -1.214 60.633 62.300 -0.756 0.000 1.022 411 V CB 0.811 31.940 31.823 -1.157 0.000 1.103 411 V HN 0.844 nan 8.190 nan 0.000 0.455 412 F N 0.690 120.570 119.950 -0.118 0.000 2.518 412 F HA 0.654 5.199 4.527 0.031 0.000 0.323 412 F C -2.496 173.435 175.800 0.218 0.000 1.129 412 F CA -2.443 55.596 58.000 0.065 0.000 0.920 412 F CB 2.026 41.039 39.000 0.021 0.000 1.160 412 F HN 0.303 nan 8.300 nan 0.000 0.440 413 P HA 0.009 nan 4.420 nan 0.000 0.268 413 P C -0.769 176.335 177.300 -0.327 0.000 1.205 413 P CA -0.061 62.923 63.100 -0.194 0.000 0.771 413 P CB 0.631 31.890 31.700 -0.735 0.000 0.858 414 D N 1.973 122.155 120.400 -0.363 0.000 2.468 414 D HA 0.080 4.738 4.640 0.030 0.000 0.218 414 D C -0.062 175.949 176.300 -0.482 0.000 1.155 414 D CA -0.226 53.582 54.000 -0.320 0.000 0.924 414 D CB -0.245 40.455 40.800 -0.166 0.000 1.029 414 D HN 0.262 nan 8.370 nan 0.000 0.515 415 Y N 1.252 121.260 120.300 -0.487 0.000 2.583 415 Y HA -0.045 4.523 4.550 0.030 0.000 0.293 415 Y C 2.589 178.136 175.900 -0.587 0.000 1.157 415 Y CA 0.998 58.782 58.100 -0.527 0.000 1.315 415 Y CB -0.145 37.921 38.460 -0.658 0.000 1.021 415 Y HN 0.464 nan 8.280 nan 0.000 0.536 416 T N -2.616 111.585 114.554 -0.587 0.000 3.023 416 T HA -0.086 4.282 4.350 0.030 0.000 0.266 416 T C 0.906 175.328 174.700 -0.464 0.000 1.093 416 T CA 0.223 61.734 62.100 -0.981 0.000 1.129 416 T CB -0.361 67.668 68.868 -1.398 0.000 0.899 416 T HN 0.060 nan 8.240 nan 0.000 0.491 417 N N 2.891 121.409 118.700 -0.303 0.000 2.431 417 N HA 0.170 4.928 4.740 0.030 0.000 0.265 417 N C -1.890 173.481 175.510 -0.231 0.000 1.184 417 N CA -2.065 50.797 53.050 -0.313 0.000 0.943 417 N CB 1.578 39.891 38.487 -0.290 0.000 1.080 417 N HN 0.037 nan 8.380 nan 0.000 0.477 418 P HA -0.154 nan 4.420 nan 0.000 0.217 418 P C 1.006 178.264 177.300 -0.069 0.000 1.151 418 P CA 1.114 64.163 63.100 -0.085 0.000 0.849 418 P CB 0.309 31.973 31.700 -0.061 0.000 0.787 419 N N -1.159 117.473 118.700 -0.114 0.000 2.289 419 N HA -0.145 4.613 4.740 0.030 0.000 0.184 419 N C 1.776 177.263 175.510 -0.039 0.000 1.016 419 N CA 0.817 53.818 53.050 -0.082 0.000 0.872 419 N CB -0.801 37.605 38.487 -0.135 0.000 0.973 419 N HN 0.171 nan 8.380 nan 0.000 0.433 420 C N 0.805 120.054 119.300 -0.085 0.000 2.440 420 C HA 0.075 4.553 4.460 0.030 0.000 0.278 420 C C 2.810 177.943 174.990 0.237 0.000 1.295 420 C CA 1.088 60.090 59.018 -0.026 0.000 1.738 420 C CB -1.166 26.435 27.740 -0.232 0.000 1.987 420 C HN 0.471 nan 8.230 nan 0.000 0.492 421 A N 0.064 122.983 122.820 0.164 0.000 1.933 421 A HA -0.060 4.278 4.320 0.030 0.000 0.218 421 A C 2.305 180.032 177.584 0.239 0.000 1.175 421 A CA 2.220 54.409 52.037 0.254 0.000 0.628 421 A CB -0.812 18.271 19.000 0.139 0.000 0.814 421 A HN 0.474 nan 8.150 nan 0.000 0.444 422 V N -1.718 118.285 119.914 0.148 0.000 2.255 422 V HA -0.300 3.838 4.120 0.030 0.000 0.247 422 V C 2.226 178.404 176.094 0.140 0.000 1.051 422 V CA 2.111 64.474 62.300 0.106 0.000 1.018 422 V CB -1.162 30.695 31.823 0.057 0.000 0.641 422 V HN 0.912 nan 8.190 nan 0.000 0.445 423 W N -0.310 120.988 121.300 -0.002 0.000 2.335 423 W HA -0.231 4.448 4.660 0.032 0.000 0.311 423 W C 2.546 179.121 176.519 0.094 0.000 1.213 423 W CA 1.777 59.109 57.345 -0.022 0.000 1.274 423 W CB -0.492 28.897 29.460 -0.118 0.000 1.148 423 W HN 0.384 nan 8.180 nan 0.000 0.498 424 W N 1.135 122.338 121.300 -0.162 0.000 2.358 424 W HA -0.238 4.441 4.660 0.033 0.000 0.303 424 W C 1.969 178.393 176.519 -0.158 0.000 1.208 424 W CA 2.081 59.221 57.345 -0.342 0.000 1.274 424 W CB -0.544 29.057 29.460 0.236 0.000 1.138 424 W HN -0.202 nan 8.180 nan 0.000 0.515 425 T N 0.737 115.343 114.554 0.085 0.000 2.708 425 T HA -0.274 4.094 4.350 0.030 0.000 0.266 425 T C 1.626 176.247 174.700 -0.132 0.000 1.037 425 T CA 2.106 64.203 62.100 -0.004 0.000 1.146 425 T CB -0.414 68.467 68.868 0.022 0.000 0.865 425 T HN -0.077 nan 8.240 nan 0.000 0.435 426 K N 1.201 121.488 120.400 -0.189 0.000 2.147 426 K HA -0.088 4.250 4.320 0.030 0.000 0.205 426 K C 2.194 178.556 176.600 -0.397 0.000 1.049 426 K CA 1.175 57.323 56.287 -0.232 0.000 0.936 426 K CB -0.198 32.194 32.500 -0.180 0.000 0.722 426 K HN 0.165 nan 8.250 nan 0.000 0.446 427 E N -0.445 119.321 120.200 -0.724 0.000 2.072 427 E HA -0.137 4.231 4.350 0.030 0.000 0.191 427 E C 1.964 177.909 176.600 -1.093 0.000 0.985 427 E CA 1.047 56.724 56.400 -1.205 0.000 0.801 427 E CB -0.318 28.127 29.700 -2.093 0.000 0.750 427 E HN 0.319 nan 8.360 nan 0.000 0.452 428 F N 1.363 120.887 119.950 -0.710 0.000 2.146 428 F HA -0.096 4.448 4.527 0.028 0.000 0.298 428 F C 2.525 178.292 175.800 -0.055 0.000 1.096 428 F CA 1.194 59.054 58.000 -0.233 0.000 1.275 428 F CB -0.315 38.556 39.000 -0.216 0.000 1.008 428 F HN 0.063 nan 8.300 nan 0.000 0.480 429 E N 0.681 120.877 120.200 -0.007 0.000 2.033 429 E HA -0.246 4.123 4.350 0.030 0.000 0.199 429 E C 2.216 178.819 176.600 0.005 0.000 1.011 429 E CA 1.855 58.227 56.400 -0.047 0.000 0.815 429 E CB -0.381 29.260 29.700 -0.099 0.000 0.755 429 E HN 0.338 nan 8.360 nan 0.000 0.451 430 L N -0.263 120.931 121.223 -0.048 0.000 2.012 430 L HA -0.187 4.171 4.340 0.030 0.000 0.210 430 L C 2.491 179.441 176.870 0.135 0.000 1.073 430 L CA 1.142 55.982 54.840 -0.001 0.000 0.748 430 L CB -0.480 41.538 42.059 -0.069 0.000 0.891 430 L HN 0.234 nan 8.230 nan 0.000 0.431 431 F N -0.350 119.609 119.950 0.015 0.000 2.186 431 F HA -0.212 4.333 4.527 0.031 0.000 0.299 431 F C 2.711 178.692 175.800 0.301 0.000 1.090 431 F CA 1.482 59.604 58.000 0.204 0.000 1.307 431 F CB -0.495 38.692 39.000 0.313 0.000 1.019 431 F HN 0.144 nan 8.300 nan 0.000 0.489 432 H N 0.004 119.184 119.070 0.183 0.000 2.456 432 H HA -0.123 4.453 4.556 0.034 0.000 0.296 432 H C 1.526 176.749 175.328 -0.176 0.000 1.079 432 H CA 1.379 57.359 56.048 -0.112 0.000 1.322 432 H CB -0.046 29.519 29.762 -0.330 0.000 1.388 432 H HN 0.205 nan 8.280 nan 0.000 0.538 433 N N 0.676 119.340 118.700 -0.061 0.000 2.364 433 N HA -0.113 4.645 4.740 0.030 0.000 0.183 433 N C 1.770 177.204 175.510 -0.127 0.000 1.022 433 N CA 0.903 53.900 53.050 -0.090 0.000 0.883 433 N CB -0.059 38.415 38.487 -0.022 0.000 0.965 433 N HN 0.648 nan 8.380 nan 0.000 0.438 434 Q N -0.569 119.138 119.800 -0.154 0.000 2.274 434 Q HA 0.192 4.550 4.340 0.030 0.000 0.198 434 Q C -0.150 175.686 176.000 -0.275 0.000 0.955 434 Q CA 0.558 56.286 55.803 -0.125 0.000 0.859 434 Q CB 0.806 29.545 28.738 0.001 0.000 0.956 434 Q HN -0.008 nan 8.270 nan 0.000 0.516 435 V N 2.212 121.832 119.914 -0.491 0.000 2.376 435 V HA 0.168 4.306 4.120 0.030 0.000 0.287 435 V C -0.679 175.107 176.094 -0.513 0.000 1.015 435 V CA -0.428 61.536 62.300 -0.559 0.000 0.834 435 V CB 1.482 32.879 31.823 -0.711 0.000 1.001 435 V HN 0.202 nan 8.190 nan 0.000 0.428 436 E N 4.997 124.863 120.200 -0.557 0.000 2.148 436 E HA 0.193 4.562 4.350 0.030 0.000 0.308 436 E C -0.125 176.299 176.600 -0.293 0.000 1.278 436 E CA -0.269 55.697 56.400 -0.723 0.000 1.368 436 E CB 0.003 29.443 29.700 -0.434 0.000 1.229 436 E HN 0.685 nan 8.360 nan 0.000 0.494 437 F N -0.941 118.973 119.950 -0.061 0.000 2.485 437 F HA 0.170 4.712 4.527 0.025 0.000 0.327 437 F C 0.847 176.854 175.800 0.345 0.000 1.203 437 F CA -0.349 57.716 58.000 0.109 0.000 1.295 437 F CB 0.695 39.784 39.000 0.148 0.000 1.191 437 F HN -0.030 nan 8.300 nan 0.000 0.588 438 D N 0.085 120.680 120.400 0.325 0.000 2.422 438 D HA 0.244 4.902 4.640 0.030 0.000 0.218 438 D C 0.692 177.015 176.300 0.038 0.000 1.047 438 D CA 0.660 54.658 54.000 -0.004 0.000 0.885 438 D CB 1.108 41.715 40.800 -0.322 0.000 1.035 438 D HN 0.749 nan 8.370 nan 0.000 0.502 439 G N 0.255 109.314 108.800 0.431 0.000 2.682 439 G HA2 0.631 4.609 3.960 0.030 0.000 0.290 439 G HA3 0.631 4.609 3.960 0.030 0.000 0.290 439 G C -1.639 173.543 174.900 0.471 0.000 1.425 439 G CA -0.583 44.810 45.100 0.488 0.000 0.807 439 G HN -0.031 nan 8.290 nan 0.000 0.482 440 I N -0.165 120.601 120.570 0.327 0.000 2.533 440 I HA 0.391 4.579 4.170 0.030 0.000 0.290 440 I C -1.446 174.809 176.117 0.229 0.000 1.056 440 I CA -0.560 60.873 61.300 0.221 0.000 1.057 440 I CB 2.661 40.722 38.000 0.102 0.000 1.240 440 I HN 0.552 nan 8.210 nan 0.000 0.423 441 W N 9.305 130.632 121.300 0.045 0.000 2.296 441 W HA 0.608 5.283 4.660 0.026 0.000 0.316 441 W C -0.941 175.621 176.519 0.072 0.000 1.022 441 W CA -1.964 55.382 57.345 0.001 0.000 1.324 441 W CB 0.685 30.129 29.460 -0.027 0.000 1.227 441 W HN 0.336 nan 8.180 nan 0.000 0.409 442 I N 3.798 124.559 120.570 0.317 0.000 2.312 442 I HA 0.448 4.636 4.170 0.030 0.000 0.291 442 I C -0.319 175.958 176.117 0.268 0.000 1.031 442 I CA -0.201 61.245 61.300 0.243 0.000 1.293 442 I CB 1.091 39.238 38.000 0.244 0.000 1.403 442 I HN 0.227 nan 8.210 nan 0.000 0.484 443 D N 5.952 126.435 120.400 0.139 0.000 2.423 443 D HA 0.493 5.151 4.640 0.030 0.000 0.235 443 D C 0.382 176.783 176.300 0.169 0.000 1.011 443 D CA -0.353 53.756 54.000 0.181 0.000 0.963 443 D CB 1.390 42.153 40.800 -0.062 0.000 1.349 443 D HN 0.673 nan 8.370 nan 0.000 0.508 444 M N 1.029 120.728 119.600 0.165 0.000 2.576 444 M HA -0.228 4.270 4.480 0.030 0.000 0.200 444 M C -0.208 176.134 176.300 0.069 0.000 0.487 444 M CA 0.458 55.822 55.300 0.107 0.000 0.553 444 M CB -2.519 30.131 32.600 0.084 0.000 2.042 444 M HN 0.568 nan 8.290 nan 0.000 0.758 445 N N -0.540 118.221 118.700 0.103 0.000 2.376 445 N HA 0.250 5.008 4.740 0.030 0.000 0.249 445 N C 0.653 176.198 175.510 0.059 0.000 1.140 445 N CA -0.066 53.063 53.050 0.131 0.000 0.870 445 N CB 0.225 38.853 38.487 0.235 0.000 1.124 445 N HN 0.259 nan 8.380 nan 0.000 0.505 446 E N -0.138 120.030 120.200 -0.054 0.000 2.150 446 E HA -0.021 4.347 4.350 0.030 0.000 0.193 446 E C 0.385 176.699 176.600 -0.476 0.000 0.985 446 E CA 0.454 56.756 56.400 -0.163 0.000 0.814 446 E CB 0.154 29.822 29.700 -0.053 0.000 0.752 446 E HN 0.276 nan 8.360 nan 0.000 0.466 447 V N -0.013 119.544 119.914 -0.595 0.000 2.644 447 V HA 0.278 4.416 4.120 0.030 0.000 0.295 447 V C -0.078 175.832 176.094 -0.306 0.000 1.053 447 V CA -0.416 61.534 62.300 -0.582 0.000 0.987 447 V CB 1.810 32.919 31.823 -1.189 0.000 1.006 447 V HN 0.113 nan 8.190 nan 0.000 0.472 448 S N 4.843 120.440 115.700 -0.172 0.000 2.541 448 S HA 0.516 5.004 4.470 0.030 0.000 0.283 448 S C -0.534 173.990 174.600 -0.126 0.000 1.196 448 S CA -0.584 57.564 58.200 -0.086 0.000 1.062 448 S CB 0.668 63.855 63.200 -0.021 0.000 1.009 448 S HN 0.878 nan 8.310 nan 0.000 0.502 449 N N 3.024 121.678 118.700 -0.077 0.000 2.371 449 N HA 0.378 5.136 4.740 0.030 0.000 0.291 449 N C -0.345 175.212 175.510 0.078 0.000 1.053 449 N CA -0.729 52.288 53.050 -0.054 0.000 0.870 449 N CB 0.600 39.056 38.487 -0.052 0.000 1.503 449 N HN 0.456 nan 8.380 nan 0.000 0.485 450 F N 0.846 120.764 119.950 -0.054 0.000 2.604 450 F HA 0.029 4.574 4.527 0.029 0.000 0.298 450 F C 1.124 176.911 175.800 -0.023 0.000 1.131 450 F CA 0.104 58.062 58.000 -0.070 0.000 1.457 450 F CB -0.650 38.274 39.000 -0.125 0.000 1.095 450 F HN 0.274 nan 8.300 nan 0.000 0.574 451 V N -3.010 117.006 119.914 0.169 0.000 2.881 451 V HA 0.504 4.642 4.120 0.030 0.000 0.316 451 V C -0.381 175.773 176.094 0.100 0.000 1.070 451 V CA -1.217 61.148 62.300 0.108 0.000 0.976 451 V CB 1.876 33.743 31.823 0.073 0.000 1.038 451 V HN -0.248 nan 8.190 nan 0.000 0.446 452 D N 2.060 122.522 120.400 0.103 0.000 2.365 452 D HA 0.544 5.202 4.640 0.030 0.000 0.237 452 D C 1.025 177.401 176.300 0.126 0.000 1.190 452 D CA 1.539 55.642 54.000 0.172 0.000 0.867 452 D CB 0.764 41.705 40.800 0.235 0.000 1.050 452 D HN 1.267 nan 8.370 nan 0.000 0.491 453 G N 2.715 111.586 108.800 0.118 0.000 5.219 453 G HA2 -0.255 3.723 3.960 0.030 0.000 0.267 453 G HA3 -0.255 3.723 3.960 0.030 0.000 0.267 453 G C 0.308 175.195 174.900 -0.023 0.000 1.495 453 G CA 0.437 45.549 45.100 0.020 0.000 0.988 453 G HN 1.102 nan 8.290 nan 0.000 0.707 454 S N -1.609 114.078 115.700 -0.021 0.000 2.672 454 S HA 0.625 5.114 4.470 0.030 0.000 0.271 454 S C 1.123 175.725 174.600 0.002 0.000 1.171 454 S CA 0.534 58.736 58.200 0.002 0.000 0.817 454 S CB 1.235 64.429 63.200 -0.011 0.000 1.150 454 S HN 1.951 nan 8.310 nan 0.000 0.478 455 V N -0.375 119.544 119.914 0.009 0.000 2.720 455 V HA 0.061 4.199 4.120 0.030 0.000 0.256 455 V C 1.360 177.444 176.094 -0.016 0.000 1.082 455 V CA 1.932 64.231 62.300 -0.001 0.000 1.101 455 V CB -1.307 30.511 31.823 -0.008 0.000 0.693 455 V HN 1.253 nan 8.190 nan 0.000 0.479 456 S N -0.767 114.918 115.700 -0.025 0.000 2.588 456 S HA 0.609 5.097 4.470 0.030 0.000 0.245 456 S C 0.991 175.553 174.600 -0.063 0.000 1.021 456 S CA 0.276 58.454 58.200 -0.038 0.000 1.006 456 S CB -0.234 62.946 63.200 -0.032 0.000 0.830 456 S HN 1.764 nan 8.310 nan 0.000 0.468 457 G N 0.813 109.567 108.800 -0.076 0.000 2.575 457 G HA2 -0.248 3.730 3.960 0.030 0.000 0.267 457 G HA3 -0.248 3.730 3.960 0.030 0.000 0.267 457 G C -0.220 174.563 174.900 -0.194 0.000 1.264 457 G CA -0.241 44.773 45.100 -0.143 0.000 0.935 457 G HN 1.119 nan 8.290 nan 0.000 0.568 458 C N -0.785 118.328 119.300 -0.312 0.000 2.712 458 C HA 0.755 5.233 4.460 0.030 0.000 0.308 458 C C 0.608 175.455 174.990 -0.238 0.000 1.201 458 C CA -0.133 58.702 59.018 -0.306 0.000 1.554 458 C CB 1.361 28.784 27.740 -0.528 0.000 2.117 458 C HN 1.029 nan 8.230 nan 0.000 0.480 459 S N 1.295 116.908 115.700 -0.145 0.000 2.562 459 S HA 0.183 4.671 4.470 0.030 0.000 0.281 459 S C 0.288 174.836 174.600 -0.087 0.000 1.333 459 S CA -0.044 58.099 58.200 -0.095 0.000 1.052 459 S CB 0.183 63.349 63.200 -0.056 0.000 0.884 459 S HN 0.802 nan 8.310 nan 0.000 0.506 460 T N 4.745 119.268 114.554 -0.051 0.000 2.769 460 T HA 0.336 4.704 4.350 0.030 0.000 0.293 460 T C 0.243 174.943 174.700 0.001 0.000 0.931 460 T CA -0.264 61.832 62.100 -0.007 0.000 1.139 460 T CB -0.754 68.120 68.868 0.010 0.000 0.881 460 T HN 0.832 nan 8.240 nan 0.000 0.532 461 N N 1.600 120.308 118.700 0.014 0.000 3.179 461 N HA 0.172 4.930 4.740 0.030 0.000 0.250 461 N C 0.449 175.967 175.510 0.013 0.000 1.507 461 N CA -1.030 52.023 53.050 0.006 0.000 0.883 461 N CB 0.318 38.797 38.487 -0.014 0.000 1.435 461 N HN 0.236 nan 8.380 nan 0.000 0.532 462 N N -0.141 118.550 118.700 -0.015 0.000 2.453 462 N HA -0.077 4.681 4.740 0.030 0.000 0.183 462 N C 0.646 176.094 175.510 -0.103 0.000 1.041 462 N CA 0.804 53.835 53.050 -0.031 0.000 0.900 462 N CB -0.041 38.421 38.487 -0.041 0.000 0.961 462 N HN 0.583 nan 8.380 nan 0.000 0.443 463 L N 0.400 121.541 121.223 -0.136 0.000 2.102 463 L HA 0.032 4.390 4.340 0.030 0.000 0.202 463 L C 1.723 178.662 176.870 0.115 0.000 1.076 463 L CA 1.017 55.734 54.840 -0.205 0.000 0.761 463 L CB -0.542 41.417 42.059 -0.167 0.000 0.921 463 L HN 0.128 nan 8.230 nan 0.000 0.444 464 N N -0.230 118.548 118.700 0.128 0.000 2.354 464 N HA -0.051 4.707 4.740 0.030 0.000 0.179 464 N C 0.130 175.849 175.510 0.348 0.000 1.021 464 N CA 0.563 53.774 53.050 0.269 0.000 0.887 464 N CB 0.239 38.783 38.487 0.094 0.000 0.974 464 N HN 0.293 nan 8.380 nan 0.000 0.437 465 N N 0.979 119.799 118.700 0.201 0.000 2.790 465 N HA 0.207 4.965 4.740 0.030 0.000 0.256 465 N C -2.873 172.697 175.510 0.101 0.000 1.409 465 N CA -0.772 52.381 53.050 0.172 0.000 0.799 465 N CB 1.863 40.457 38.487 0.179 0.000 1.170 465 N HN 0.122 nan 8.380 nan 0.000 0.507 466 P HA 0.289 nan 4.420 nan 0.000 0.276 466 P C -1.877 175.490 177.300 0.111 0.000 1.252 466 P CA -0.861 62.307 63.100 0.113 0.000 0.802 466 P CB 0.928 32.745 31.700 0.196 0.000 1.035 467 P HA 0.007 nan 4.420 nan 0.000 0.218 467 P C 0.050 177.508 177.300 0.263 0.000 1.149 467 P CA 1.263 64.505 63.100 0.236 0.000 0.817 467 P CB 0.019 31.909 31.700 0.316 0.000 0.785 468 F N -0.408 119.526 119.950 -0.028 0.000 2.540 468 F HA 0.502 5.047 4.527 0.030 0.000 0.317 468 F C -0.929 174.790 175.800 -0.135 0.000 1.104 468 F CA -0.573 57.287 58.000 -0.233 0.000 0.913 468 F CB 1.724 40.343 39.000 -0.634 0.000 1.170 468 F HN -0.434 nan 8.300 nan 0.000 0.450 469 T N 7.106 121.122 114.554 -0.898 0.000 2.786 469 T HA 0.429 4.797 4.350 0.030 0.000 0.283 469 T C -2.622 171.427 174.700 -1.084 0.000 0.992 469 T CA -1.277 60.385 62.100 -0.730 0.000 0.954 469 T CB 1.570 70.114 68.868 -0.540 0.000 0.934 469 T HN 0.299 nan 8.240 nan 0.000 0.440 470 P HA 0.169 nan 4.420 nan 0.000 0.271 470 P C 0.154 177.261 177.300 -0.323 0.000 1.244 470 P CA -0.649 62.240 63.100 -0.351 0.000 0.793 470 P CB 0.446 32.099 31.700 -0.078 0.000 0.984 471 R N 1.222 121.610 120.500 -0.187 0.000 4.779 471 R HA 0.214 4.572 4.340 0.030 0.000 0.217 471 R C 0.450 176.681 176.300 -0.114 0.000 1.934 471 R CA -0.239 55.761 56.100 -0.167 0.000 1.623 471 R CB -1.461 28.762 30.300 -0.128 0.000 1.364 471 R HN 0.412 nan 8.270 nan 0.000 0.799 472 I N -1.796 118.695 120.570 -0.131 0.000 2.813 472 I HA 0.054 4.242 4.170 0.030 0.000 0.287 472 I C 0.343 176.426 176.117 -0.057 0.000 1.196 472 I CA -0.889 60.373 61.300 -0.063 0.000 1.421 472 I CB 0.328 38.270 38.000 -0.096 0.000 1.365 472 I HN 0.105 nan 8.210 nan 0.000 0.591 473 L N 6.558 127.783 121.223 0.003 0.000 2.615 473 L HA -0.033 4.325 4.340 0.030 0.000 0.284 473 L C 0.467 177.334 176.870 -0.004 0.000 1.237 473 L CA 1.327 56.171 54.840 0.008 0.000 0.905 473 L CB -0.734 41.349 42.059 0.040 0.000 1.149 473 L HN 0.910 nan 8.230 nan 0.000 0.499 474 D N 2.660 123.059 120.400 -0.002 0.000 2.328 474 D HA -0.232 4.426 4.640 0.030 0.000 0.167 474 D C 1.130 177.444 176.300 0.024 0.000 1.205 474 D CA 1.768 55.786 54.000 0.031 0.000 1.128 474 D CB -1.342 39.488 40.800 0.050 0.000 1.157 474 D HN 1.333 nan 8.370 nan 0.000 0.468 475 G N -0.042 108.690 108.800 -0.113 0.000 2.148 475 G HA2 -0.323 3.656 3.960 0.030 0.000 0.254 475 G HA3 -0.323 3.656 3.960 0.030 0.000 0.254 475 G C -0.115 174.426 174.900 -0.599 0.000 0.981 475 G CA 0.678 45.585 45.100 -0.321 0.000 0.670 475 G HN 0.487 nan 8.290 nan 0.000 0.528 476 Y N -1.114 118.967 120.300 -0.365 0.000 2.391 476 Y HA 0.565 5.133 4.550 0.030 0.000 0.341 476 Y C 1.551 177.063 175.900 -0.646 0.000 0.965 476 Y CA -1.124 56.611 58.100 -0.609 0.000 1.067 476 Y CB 1.427 39.284 38.460 -1.006 0.000 1.199 476 Y HN -0.067 nan 8.280 nan 0.000 0.450 477 L N 1.686 122.634 121.223 -0.458 0.000 2.079 477 L HA -0.253 4.105 4.340 0.030 0.000 0.210 477 L C 1.745 178.553 176.870 -0.103 0.000 1.081 477 L CA 1.863 56.477 54.840 -0.378 0.000 0.752 477 L CB -0.419 41.456 42.059 -0.306 0.000 0.896 477 L HN 0.747 nan 8.230 nan 0.000 0.433 478 F N -2.288 117.714 119.950 0.087 0.000 2.780 478 F HA 0.177 4.721 4.527 0.030 0.000 0.299 478 F C 1.270 177.114 175.800 0.074 0.000 1.146 478 F CA -1.593 56.455 58.000 0.079 0.000 1.428 478 F CB -1.861 37.172 39.000 0.054 0.000 1.115 478 F HN -0.134 nan 8.300 nan 0.000 0.583 479 C N 4.443 123.673 119.300 -0.117 0.000 2.523 479 C HA 0.000 4.478 4.460 0.030 0.000 0.406 479 C C 1.239 176.285 174.990 0.093 0.000 1.449 479 C CA -0.584 58.440 59.018 0.010 0.000 1.588 479 C CB -0.828 26.886 27.740 -0.042 0.000 2.514 479 C HN 0.526 nan 8.230 nan 0.000 0.606 480 K N 1.016 121.485 120.400 0.115 0.000 3.016 480 K HA -0.203 4.135 4.320 0.030 0.000 0.262 480 K C 0.137 176.786 176.600 0.081 0.000 1.043 480 K CA 1.444 57.798 56.287 0.112 0.000 0.761 480 K CB -1.796 30.777 32.500 0.123 0.000 1.230 480 K HN 0.978 nan 8.250 nan 0.000 0.485 481 T N -1.808 112.792 114.554 0.076 0.000 2.606 481 T HA 0.651 5.019 4.350 0.030 0.000 0.289 481 T C -0.827 173.844 174.700 -0.048 0.000 1.113 481 T CA -0.768 61.333 62.100 0.003 0.000 1.106 481 T CB 0.880 69.822 68.868 0.122 0.000 1.611 481 T HN 0.090 nan 8.240 nan 0.000 0.471 482 L N 1.233 122.396 121.223 -0.099 0.000 2.399 482 L HA 0.487 4.845 4.340 0.030 0.000 0.265 482 L C 0.460 177.355 176.870 0.042 0.000 1.089 482 L CA -1.142 53.621 54.840 -0.129 0.000 0.802 482 L CB 0.686 42.594 42.059 -0.252 0.000 1.180 482 L HN 0.706 nan 8.230 nan 0.000 0.454 483 C N 2.096 121.406 119.300 0.016 0.000 2.502 483 C HA -0.058 4.420 4.460 0.030 0.000 0.404 483 C C 2.092 177.145 174.990 0.104 0.000 1.409 483 C CA -0.503 58.541 59.018 0.043 0.000 1.648 483 C CB -0.099 27.629 27.740 -0.020 0.000 2.571 483 C HN 0.742 nan 8.230 nan 0.000 0.601 484 M N 2.778 122.482 119.600 0.174 0.000 2.358 484 M HA -0.077 4.421 4.480 0.030 0.000 0.264 484 M C 1.588 177.981 176.300 0.154 0.000 1.064 484 M CA 1.537 56.971 55.300 0.222 0.000 1.093 484 M CB -0.988 31.808 32.600 0.326 0.000 1.401 484 M HN 0.835 nan 8.290 nan 0.000 0.440 485 D N -0.208 120.242 120.400 0.083 0.000 2.339 485 D HA 0.216 4.874 4.640 0.030 0.000 0.217 485 D C 0.569 176.895 176.300 0.044 0.000 1.050 485 D CA -0.006 54.022 54.000 0.046 0.000 0.856 485 D CB -0.497 40.310 40.800 0.012 0.000 0.922 485 D HN 0.112 nan 8.370 nan 0.000 0.518 486 A N 0.170 123.020 122.820 0.051 0.000 2.520 486 A HA 0.370 4.708 4.320 0.030 0.000 0.235 486 A C 0.007 177.628 177.584 0.061 0.000 1.065 486 A CA -0.173 51.892 52.037 0.047 0.000 0.764 486 A CB 0.506 19.525 19.000 0.033 0.000 1.002 486 A HN 0.132 nan 8.150 nan 0.000 0.502 487 V N 2.676 122.626 119.914 0.061 0.000 2.604 487 V HA 0.507 4.645 4.120 0.030 0.000 0.305 487 V C 0.018 176.156 176.094 0.073 0.000 1.043 487 V CA -0.340 62.000 62.300 0.067 0.000 0.888 487 V CB 1.618 33.476 31.823 0.058 0.000 0.995 487 V HN 1.074 nan 8.190 nan 0.000 0.429 488 Q N 1.008 120.857 119.800 0.082 0.000 2.553 488 Q HA 0.370 4.728 4.340 0.030 0.000 0.293 488 Q C 0.635 176.706 176.000 0.118 0.000 1.038 488 Q CA -0.805 55.044 55.803 0.076 0.000 0.777 488 Q CB 2.126 30.899 28.738 0.059 0.000 1.487 488 Q HN 0.874 nan 8.270 nan 0.000 0.426 489 H N 0.339 119.407 119.070 -0.003 0.000 2.319 489 H HA -0.159 4.415 4.556 0.030 0.000 0.297 489 H C 0.701 176.177 175.328 0.248 0.000 1.097 489 H CA 2.083 58.166 56.048 0.060 0.000 1.285 489 H CB 0.363 30.111 29.762 -0.024 0.000 1.368 489 H HN 0.601 nan 8.280 nan 0.000 0.495 490 W N 0.812 122.089 121.300 -0.038 0.000 2.800 490 W HA 0.252 4.930 4.660 0.031 0.000 0.249 490 W C 1.250 177.821 176.519 0.086 0.000 1.294 490 W CA 1.257 58.592 57.345 -0.016 0.000 1.402 490 W CB -0.299 29.216 29.460 0.092 0.000 1.126 490 W HN 0.466 nan 8.180 nan 0.000 0.652 491 G N -0.692 108.260 108.800 0.254 0.000 2.356 491 G HA2 0.002 3.980 3.960 0.030 0.000 0.266 491 G HA3 0.002 3.980 3.960 0.030 0.000 0.266 491 G C -0.892 174.062 174.900 0.091 0.000 1.312 491 G CA -1.128 44.066 45.100 0.156 0.000 0.922 491 G HN -0.218 nan 8.290 nan 0.000 0.480 492 K N 0.263 120.691 120.400 0.047 0.000 2.237 492 K HA 0.243 4.581 4.320 0.030 0.000 0.270 492 K C 1.264 177.901 176.600 0.061 0.000 1.015 492 K CA -0.246 56.075 56.287 0.057 0.000 0.949 492 K CB 1.778 34.313 32.500 0.058 0.000 0.976 492 K HN 0.574 nan 8.250 nan 0.000 0.472 493 Q N 2.071 121.934 119.800 0.105 0.000 2.152 493 Q HA -0.268 4.090 4.340 0.030 0.000 0.206 493 Q C 1.582 177.693 176.000 0.184 0.000 0.985 493 Q CA 1.800 57.688 55.803 0.141 0.000 0.863 493 Q CB -0.382 28.443 28.738 0.144 0.000 0.904 493 Q HN 0.671 nan 8.270 nan 0.000 0.422 494 Y N 0.714 121.044 120.300 0.050 0.000 2.132 494 Y HA -0.326 4.243 4.550 0.030 0.000 0.280 494 Y C 1.474 177.360 175.900 -0.023 0.000 1.193 494 Y CA 2.438 60.561 58.100 0.038 0.000 1.157 494 Y CB -0.101 38.359 38.460 -0.000 0.000 0.966 494 Y HN 0.294 nan 8.280 nan 0.000 0.511 495 D N -0.660 119.692 120.400 -0.080 0.000 2.262 495 D HA 0.007 4.666 4.640 0.030 0.000 0.212 495 D C 1.739 177.757 176.300 -0.470 0.000 0.964 495 D CA 1.583 55.271 54.000 -0.519 0.000 0.875 495 D CB -0.007 40.078 40.800 -1.191 0.000 0.996 495 D HN 0.629 nan 8.370 nan 0.000 0.497 496 I N -1.985 118.466 120.570 -0.199 0.000 4.025 496 I HA 0.157 4.345 4.170 0.030 0.000 0.336 496 I C 1.833 177.987 176.117 0.063 0.000 1.390 496 I CA -0.257 61.036 61.300 -0.011 0.000 1.099 496 I CB -0.000 38.083 38.000 0.139 0.000 1.049 496 I HN -0.124 nan 8.210 nan 0.000 0.394 497 H N 3.008 122.065 119.070 -0.022 0.000 2.289 497 H HA -0.223 4.351 4.556 0.030 0.000 0.296 497 H C 1.122 176.390 175.328 -0.099 0.000 1.091 497 H CA 2.574 58.588 56.048 -0.056 0.000 1.274 497 H CB -0.213 29.485 29.762 -0.107 0.000 1.364 497 H HN 0.556 nan 8.280 nan 0.000 0.490 498 N N 0.072 118.739 118.700 -0.055 0.000 2.585 498 N HA -0.070 4.689 4.740 0.030 0.000 0.188 498 N C 1.346 176.788 175.510 -0.114 0.000 1.102 498 N CA 0.213 53.221 53.050 -0.071 0.000 0.920 498 N CB 0.130 38.682 38.487 0.109 0.000 0.963 498 N HN 0.367 nan 8.380 nan 0.000 0.447 499 L N -0.971 120.181 121.223 -0.117 0.000 2.640 499 L HA 0.071 4.429 4.340 0.030 0.000 0.230 499 L C 1.429 178.356 176.870 0.095 0.000 1.123 499 L CA -0.129 54.690 54.840 -0.035 0.000 0.900 499 L CB -0.122 41.980 42.059 0.072 0.000 1.146 499 L HN 0.202 nan 8.230 nan 0.000 0.484 500 Y N 1.382 121.634 120.300 -0.081 0.000 2.163 500 Y HA -0.158 4.409 4.550 0.029 0.000 0.288 500 Y C 2.368 178.240 175.900 -0.047 0.000 1.136 500 Y CA 1.881 59.938 58.100 -0.072 0.000 1.147 500 Y CB -0.095 38.283 38.460 -0.135 0.000 0.987 500 Y HN 0.122 nan 8.280 nan 0.000 0.509 501 G N -1.174 107.750 108.800 0.207 0.000 2.418 501 G HA2 -0.366 3.612 3.960 0.030 0.000 0.217 501 G HA3 -0.366 3.612 3.960 0.030 0.000 0.217 501 G C 1.525 176.462 174.900 0.062 0.000 1.158 501 G CA 0.994 46.177 45.100 0.138 0.000 0.771 501 G HN 0.586 nan 8.290 nan 0.000 0.545 502 Y N 2.829 123.136 120.300 0.013 0.000 2.097 502 Y HA -0.265 4.303 4.550 0.031 0.000 0.282 502 Y C 3.160 178.960 175.900 -0.167 0.000 1.152 502 Y CA 2.347 60.449 58.100 0.003 0.000 1.136 502 Y CB -0.413 38.121 38.460 0.123 0.000 0.975 502 Y HN 0.320 nan 8.280 nan 0.000 0.498 503 S N 0.008 115.582 115.700 -0.210 0.000 2.382 503 S HA -0.301 4.187 4.470 0.030 0.000 0.228 503 S C 2.187 176.439 174.600 -0.580 0.000 1.027 503 S CA 1.469 59.398 58.200 -0.453 0.000 0.991 503 S CB -0.851 62.043 63.200 -0.510 0.000 0.823 503 S HN 0.683 nan 8.310 nan 0.000 0.469 504 M N 1.615 120.820 119.600 -0.658 0.000 2.117 504 M HA -0.007 4.491 4.480 0.030 0.000 0.262 504 M C 2.388 178.339 176.300 -0.581 0.000 1.065 504 M CA 1.625 56.315 55.300 -1.016 0.000 1.114 504 M CB -0.558 31.491 32.600 -0.918 0.000 1.361 504 M HN 0.511 nan 8.290 nan 0.000 0.408 505 A N -0.390 122.193 122.820 -0.396 0.000 1.902 505 A HA -0.123 4.215 4.320 0.030 0.000 0.217 505 A C 2.013 179.313 177.584 -0.474 0.000 1.181 505 A CA 1.841 53.704 52.037 -0.290 0.000 0.623 505 A CB -1.120 17.784 19.000 -0.159 0.000 0.818 505 A HN 0.413 nan 8.150 nan 0.000 0.443 506 V N -0.181 119.228 119.914 -0.840 0.000 2.332 506 V HA -0.268 3.870 4.120 0.030 0.000 0.248 506 V C 3.014 178.850 176.094 -0.429 0.000 1.055 506 V CA 2.054 63.747 62.300 -1.012 0.000 1.038 506 V CB -1.205 29.997 31.823 -1.035 0.000 0.651 506 V HN 0.619 nan 8.190 nan 0.000 0.450 507 A N -0.498 122.134 122.820 -0.314 0.000 1.968 507 A HA -0.155 4.183 4.320 0.030 0.000 0.217 507 A C 2.362 180.050 177.584 0.174 0.000 1.169 507 A CA 2.116 54.121 52.037 -0.053 0.000 0.638 507 A CB -0.734 18.224 19.000 -0.071 0.000 0.812 507 A HN 0.509 nan 8.150 nan 0.000 0.446 508 T N 0.139 114.771 114.554 0.129 0.000 2.857 508 T HA 0.091 4.459 4.350 0.030 0.000 0.266 508 T C 2.209 176.931 174.700 0.037 0.000 1.048 508 T CA 1.209 63.440 62.100 0.218 0.000 1.139 508 T CB -0.297 68.709 68.868 0.230 0.000 0.874 508 T HN 0.548 nan 8.240 nan 0.000 0.455 509 A N 1.652 124.485 122.820 0.022 0.000 1.898 509 A HA -0.099 4.239 4.320 0.030 0.000 0.216 509 A C 2.188 179.811 177.584 0.064 0.000 1.181 509 A CA 1.934 54.012 52.037 0.068 0.000 0.620 509 A CB -0.649 18.456 19.000 0.175 0.000 0.819 509 A HN 0.466 nan 8.150 nan 0.000 0.442 510 E N 0.481 120.709 120.200 0.047 0.000 2.065 510 E HA -0.187 4.181 4.350 0.030 0.000 0.201 510 E C 2.002 178.626 176.600 0.040 0.000 1.016 510 E CA 2.045 58.476 56.400 0.052 0.000 0.818 510 E CB -0.531 29.200 29.700 0.052 0.000 0.749 510 E HN 0.485 nan 8.360 nan 0.000 0.453 511 A N 0.732 123.578 122.820 0.043 0.000 1.908 511 A HA -0.119 4.219 4.320 0.030 0.000 0.218 511 A C 2.480 179.998 177.584 -0.110 0.000 1.181 511 A CA 2.371 54.386 52.037 -0.036 0.000 0.627 511 A CB -1.171 17.769 19.000 -0.101 0.000 0.818 511 A HN 0.441 nan 8.150 nan 0.000 0.445 512 A N -0.156 122.636 122.820 -0.047 0.000 1.978 512 A HA -0.206 4.132 4.320 0.030 0.000 0.220 512 A C 2.038 179.649 177.584 0.046 0.000 1.170 512 A CA 1.883 53.968 52.037 0.079 0.000 0.636 512 A CB -0.489 18.636 19.000 0.210 0.000 0.810 512 A HN 0.590 nan 8.150 nan 0.000 0.448 513 K N -1.116 119.298 120.400 0.024 0.000 2.113 513 K HA -0.144 4.194 4.320 0.030 0.000 0.208 513 K C 1.848 178.428 176.600 -0.033 0.000 1.047 513 K CA 1.901 58.196 56.287 0.014 0.000 0.928 513 K CB -0.270 32.242 32.500 0.021 0.000 0.716 513 K HN 0.517 nan 8.250 nan 0.000 0.446 514 T N -0.074 114.430 114.554 -0.083 0.000 3.021 514 T HA 0.012 4.380 4.350 0.030 0.000 0.245 514 T C 1.917 176.475 174.700 -0.237 0.000 1.028 514 T CA 0.413 62.440 62.100 -0.123 0.000 1.139 514 T CB 0.235 69.041 68.868 -0.104 0.000 0.884 514 T HN -0.087 nan 8.240 nan 0.000 0.457 515 V N 0.605 120.283 119.914 -0.393 0.000 2.591 515 V HA 0.114 4.252 4.120 0.030 0.000 0.249 515 V C 0.298 175.758 176.094 -1.057 0.000 1.053 515 V CA 1.124 62.938 62.300 -0.811 0.000 1.068 515 V CB -0.397 30.795 31.823 -1.052 0.000 0.689 515 V HN 0.403 nan 8.190 nan 0.000 0.462 516 F N 0.185 119.999 119.950 -0.225 0.000 2.523 516 F HA 0.465 5.008 4.527 0.027 0.000 0.322 516 F C -2.652 173.089 175.800 -0.097 0.000 1.361 516 F CA -3.294 54.604 58.000 -0.171 0.000 1.151 516 F CB -0.033 38.894 39.000 -0.121 0.000 1.391 516 F HN 0.021 nan 8.300 nan 0.000 0.566 517 P HA 0.058 nan 4.420 nan 0.000 0.263 517 P C 0.296 177.617 177.300 0.034 0.000 1.195 517 P CA 0.596 63.703 63.100 0.012 0.000 0.762 517 P CB 0.404 32.093 31.700 -0.018 0.000 0.799 518 N N -0.340 118.380 118.700 0.034 0.000 2.732 518 N HA -0.180 4.578 4.740 0.030 0.000 0.250 518 N C -0.234 175.295 175.510 0.032 0.000 1.097 518 N CA 1.354 54.422 53.050 0.030 0.000 0.812 518 N CB -0.867 37.632 38.487 0.020 0.000 1.148 518 N HN 0.463 nan 8.380 nan 0.000 0.572 519 K N 0.698 121.131 120.400 0.055 0.000 2.118 519 K HA 0.355 4.693 4.320 0.030 0.000 0.254 519 K C 1.397 178.013 176.600 0.027 0.000 0.961 519 K CA -0.588 55.723 56.287 0.040 0.000 0.876 519 K CB 1.250 33.782 32.500 0.053 0.000 1.077 519 K HN 0.070 nan 8.250 nan 0.000 0.440 520 R N 0.534 121.023 120.500 -0.018 0.000 2.090 520 R HA -0.080 4.278 4.340 0.030 0.000 0.228 520 R C 1.025 177.289 176.300 -0.061 0.000 1.110 520 R CA 0.991 57.060 56.100 -0.051 0.000 0.973 520 R CB -0.102 30.134 30.300 -0.106 0.000 0.869 520 R HN 0.895 nan 8.270 nan 0.000 0.440 521 S N -0.778 114.870 115.700 -0.087 0.000 3.525 521 S HA -0.310 4.178 4.470 0.030 0.000 0.629 521 S C -0.588 173.994 174.600 -0.031 0.000 2.621 521 S CA 1.134 59.262 58.200 -0.120 0.000 3.752 521 S CB -0.828 62.144 63.200 -0.381 0.000 0.260 521 S HN 0.323 nan 8.310 nan 0.000 1.214 522 F N 0.632 120.501 119.950 -0.135 0.000 2.639 522 F HA 0.717 5.262 4.527 0.030 0.000 0.320 522 F C -1.338 174.450 175.800 -0.019 0.000 1.128 522 F CA -0.666 57.241 58.000 -0.155 0.000 1.037 522 F CB 0.817 39.693 39.000 -0.207 0.000 1.288 522 F HN 0.579 nan 8.300 nan 0.000 0.463 523 I N 6.953 127.087 120.570 -0.727 0.000 2.447 523 I HA 0.410 4.598 4.170 0.030 0.000 0.287 523 I C -1.564 174.031 176.117 -0.870 0.000 1.023 523 I CA -0.990 59.973 61.300 -0.561 0.000 1.083 523 I CB 1.953 39.826 38.000 -0.211 0.000 1.245 523 I HN 0.514 nan 8.210 nan 0.000 0.434 524 L N 6.293 127.109 121.223 -0.677 0.000 2.287 524 L HA 0.586 4.944 4.340 0.030 0.000 0.287 524 L C -0.220 176.692 176.870 0.070 0.000 1.022 524 L CA 0.311 54.899 54.840 -0.420 0.000 0.814 524 L CB 1.671 43.473 42.059 -0.428 0.000 1.217 524 L HN 0.561 nan 8.230 nan 0.000 0.420 525 T N 3.928 118.577 114.554 0.158 0.000 2.856 525 T HA 0.393 4.761 4.350 0.030 0.000 0.283 525 T C 0.800 175.747 174.700 0.413 0.000 1.008 525 T CA -0.440 61.840 62.100 0.301 0.000 0.997 525 T CB 1.482 70.454 68.868 0.173 0.000 0.992 525 T HN 0.824 nan 8.240 nan 0.000 0.454 526 R N 2.351 123.057 120.500 0.344 0.000 2.048 526 R HA 0.185 4.543 4.340 0.030 0.000 0.224 526 R C 0.901 177.246 176.300 0.074 0.000 1.163 526 R CA 0.519 56.559 56.100 -0.101 0.000 0.956 526 R CB -0.327 29.806 30.300 -0.279 0.000 0.849 526 R HN 0.548 nan 8.270 nan 0.000 0.435 527 S N 0.212 115.984 115.700 0.120 0.000 2.545 527 S HA 0.222 4.710 4.470 0.030 0.000 0.275 527 S C -0.486 174.206 174.600 0.154 0.000 1.299 527 S CA -0.328 57.961 58.200 0.149 0.000 1.048 527 S CB 1.029 64.305 63.200 0.128 0.000 0.938 527 S HN 0.451 nan 8.310 nan 0.000 0.496 528 T N 1.954 116.601 114.554 0.154 0.000 2.883 528 T HA 0.760 5.128 4.350 0.030 0.000 0.296 528 T C -1.065 173.808 174.700 0.289 0.000 1.117 528 T CA -0.696 61.527 62.100 0.206 0.000 1.006 528 T CB 1.309 70.257 68.868 0.133 0.000 1.191 528 T HN 0.535 nan 8.240 nan 0.000 0.508 529 F N 0.430 120.472 119.950 0.153 0.000 2.675 529 F HA 0.753 5.298 4.527 0.030 0.000 0.324 529 F C -0.427 175.427 175.800 0.091 0.000 1.106 529 F CA -1.034 57.016 58.000 0.082 0.000 0.970 529 F CB 1.296 40.309 39.000 0.021 0.000 1.385 529 F HN 1.019 nan 8.300 nan 0.000 0.489 530 A N 1.544 123.954 122.820 -0.683 0.000 2.537 530 A HA 0.426 4.764 4.320 0.030 0.000 0.260 530 A C 0.997 178.608 177.584 0.044 0.000 1.082 530 A CA 1.104 52.927 52.037 -0.357 0.000 0.765 530 A CB -1.377 17.332 19.000 -0.485 0.000 1.019 530 A HN 2.050 nan 8.150 nan 0.000 0.507 531 G N 1.711 110.537 108.800 0.043 0.000 2.201 531 G HA2 -0.237 3.741 3.960 0.030 0.000 0.212 531 G HA3 -0.237 3.741 3.960 0.030 0.000 0.212 531 G C 1.250 176.359 174.900 0.348 0.000 0.994 531 G CA 0.596 45.802 45.100 0.176 0.000 0.644 531 G HN 0.964 nan 8.290 nan 0.000 0.508 532 S N 0.469 116.420 115.700 0.420 0.000 2.419 532 S HA 0.011 4.499 4.470 0.030 0.000 0.235 532 S C 2.493 177.250 174.600 0.262 0.000 1.019 532 S CA 1.869 60.341 58.200 0.453 0.000 0.982 532 S CB -0.455 62.962 63.200 0.362 0.000 0.789 532 S HN 1.284 nan 8.310 nan 0.000 0.490 533 G N 1.404 110.285 108.800 0.135 0.000 2.462 533 G HA2 -0.243 3.735 3.960 0.030 0.000 0.220 533 G HA3 -0.243 3.735 3.960 0.030 0.000 0.220 533 G C 1.245 176.084 174.900 -0.101 0.000 1.121 533 G CA 0.838 45.959 45.100 0.036 0.000 0.758 533 G HN 0.471 nan 8.290 nan 0.000 0.559 534 K N -0.693 119.554 120.400 -0.256 0.000 2.218 534 K HA -0.092 4.246 4.320 0.030 0.000 0.205 534 K C 1.522 177.696 176.600 -0.711 0.000 1.046 534 K CA 1.309 57.232 56.287 -0.608 0.000 0.933 534 K CB -0.153 31.759 32.500 -0.981 0.000 0.728 534 K HN 0.459 nan 8.250 nan 0.000 0.454 535 F N -1.374 118.554 119.950 -0.036 0.000 2.711 535 F HA 0.370 4.915 4.527 0.029 0.000 0.296 535 F C 0.403 176.145 175.800 -0.097 0.000 1.096 535 F CA -0.311 57.648 58.000 -0.069 0.000 1.280 535 F CB 0.772 39.713 39.000 -0.098 0.000 1.060 535 F HN -0.108 nan 8.300 nan 0.000 0.608 536 A N 0.034 122.894 122.820 0.065 0.000 2.606 536 A HA 0.842 5.180 4.320 0.030 0.000 0.293 536 A C -0.894 176.649 177.584 -0.068 0.000 1.082 536 A CA -0.426 51.582 52.037 -0.049 0.000 0.685 536 A CB 0.484 19.482 19.000 -0.002 0.000 1.284 536 A HN 0.119 nan 8.150 nan 0.000 0.408 537 A N 0.071 122.766 122.820 -0.208 0.000 2.272 537 A HA 0.708 5.046 4.320 0.030 0.000 0.275 537 A C -0.230 177.289 177.584 -0.107 0.000 1.096 537 A CA 0.092 52.022 52.037 -0.178 0.000 0.822 537 A CB 0.269 19.067 19.000 -0.337 0.000 1.088 537 A HN 1.607 nan 8.150 nan 0.000 0.495 538 H N -1.520 117.418 119.070 -0.221 0.000 2.851 538 H HA 0.552 5.127 4.556 0.031 0.000 0.372 538 H C -1.258 173.995 175.328 -0.125 0.000 1.158 538 H CA -0.733 55.203 56.048 -0.187 0.000 1.159 538 H CB 1.092 30.656 29.762 -0.330 0.000 1.757 538 H HN 0.862 nan 8.280 nan 0.000 0.546 539 W N 5.553 126.308 121.300 -0.909 0.000 2.719 539 W HA 0.448 5.129 4.660 0.035 0.000 0.352 539 W C -0.980 174.997 176.519 -0.904 0.000 1.085 539 W CA -1.192 55.755 57.345 -0.663 0.000 1.187 539 W CB 0.970 30.261 29.460 -0.281 0.000 1.417 539 W HN 0.513 nan 8.180 nan 0.000 0.557 540 L N 4.179 125.031 121.223 -0.617 0.000 2.650 540 L HA 0.315 4.673 4.340 0.030 0.000 0.235 540 L C 1.263 177.924 176.870 -0.348 0.000 1.149 540 L CA 0.829 55.416 54.840 -0.421 0.000 0.887 540 L CB -1.277 40.740 42.059 -0.070 0.000 1.021 540 L HN 1.030 nan 8.230 nan 0.000 0.441 541 G N 0.174 108.424 108.800 -0.916 0.000 2.545 541 G HA2 -0.235 3.743 3.960 0.030 0.000 0.216 541 G HA3 -0.235 3.743 3.960 0.030 0.000 0.216 541 G C -0.731 174.155 174.900 -0.024 0.000 1.314 541 G CA -0.508 44.229 45.100 -0.606 0.000 0.906 541 G HN 0.158 nan 8.290 nan 0.000 0.563 542 D N 2.466 122.919 120.400 0.088 0.000 2.558 542 D HA 0.316 4.974 4.640 0.030 0.000 0.221 542 D C 1.257 177.734 176.300 0.296 0.000 1.143 542 D CA 0.023 54.070 54.000 0.078 0.000 1.010 542 D CB -0.391 40.486 40.800 0.127 0.000 1.068 542 D HN 0.631 nan 8.370 nan 0.000 0.511 543 N N -0.052 118.835 118.700 0.311 0.000 2.294 543 N HA 0.202 4.960 4.740 0.030 0.000 0.275 543 N C -0.144 175.576 175.510 0.350 0.000 1.291 543 N CA -0.188 53.071 53.050 0.347 0.000 0.933 543 N CB 0.268 38.979 38.487 0.373 0.000 1.096 543 N HN -0.091 nan 8.380 nan 0.000 0.525 544 T N -1.588 113.146 114.554 0.301 0.000 2.909 544 T HA 0.649 5.017 4.350 0.030 0.000 0.299 544 T C -0.601 174.221 174.700 0.203 0.000 1.073 544 T CA -0.551 61.666 62.100 0.196 0.000 0.999 544 T CB 1.529 70.499 68.868 0.171 0.000 1.098 544 T HN 0.703 nan 8.240 nan 0.000 0.477 545 A N 2.753 125.624 122.820 0.085 0.000 3.026 545 A HA 0.511 4.849 4.320 0.030 0.000 0.272 545 A C 0.824 178.456 177.584 0.080 0.000 1.782 545 A CA -0.263 51.844 52.037 0.116 0.000 1.451 545 A CB -1.219 17.774 19.000 -0.013 0.000 1.081 545 A HN 0.815 nan 8.150 nan 0.000 0.611 546 T N -4.351 110.254 114.554 0.086 0.000 2.901 546 T HA 0.445 4.813 4.350 0.030 0.000 0.293 546 T C 0.467 175.031 174.700 -0.227 0.000 1.084 546 T CA -0.688 61.388 62.100 -0.040 0.000 1.008 546 T CB 0.723 69.584 68.868 -0.012 0.000 1.170 546 T HN 0.422 nan 8.240 nan 0.000 0.509 547 W N 0.564 121.771 121.300 -0.155 0.000 2.363 547 W HA 0.019 4.698 4.660 0.032 0.000 0.296 547 W C 1.965 178.240 176.519 -0.408 0.000 1.212 547 W CA 1.053 58.247 57.345 -0.251 0.000 1.260 547 W CB -0.328 29.035 29.460 -0.161 0.000 1.131 547 W HN 0.751 nan 8.180 nan 0.000 0.530 548 D N 0.477 120.700 120.400 -0.297 0.000 2.106 548 D HA -0.201 4.457 4.640 0.030 0.000 0.191 548 D C 1.357 176.894 176.300 -1.272 0.000 0.997 548 D CA 1.997 55.464 54.000 -0.888 0.000 0.834 548 D CB -0.690 39.484 40.800 -1.044 0.000 0.956 548 D HN 0.169 nan 8.370 nan 0.000 0.448 549 D N -0.015 119.925 120.400 -0.765 0.000 2.149 549 D HA -0.144 4.514 4.640 0.030 0.000 0.198 549 D C 1.985 178.071 176.300 -0.357 0.000 0.990 549 D CA 0.388 54.217 54.000 -0.285 0.000 0.839 549 D CB -0.180 40.718 40.800 0.162 0.000 0.948 549 D HN 0.094 nan 8.370 nan 0.000 0.460 550 L N 0.913 121.614 121.223 -0.869 0.000 1.989 550 L HA -0.154 4.204 4.340 0.030 0.000 0.211 550 L C 1.951 178.551 176.870 -0.449 0.000 1.071 550 L CA 1.765 55.876 54.840 -1.214 0.000 0.749 550 L CB -0.299 40.943 42.059 -1.362 0.000 0.890 550 L HN -0.114 nan 8.230 nan 0.000 0.431 551 R N -1.220 119.101 120.500 -0.298 0.000 2.083 551 R HA -0.208 4.150 4.340 0.030 0.000 0.237 551 R C 2.055 178.470 176.300 0.191 0.000 1.137 551 R CA 1.948 58.022 56.100 -0.042 0.000 0.951 551 R CB -0.681 29.603 30.300 -0.026 0.000 0.851 551 R HN 0.487 nan 8.270 nan 0.000 0.434 552 W N 1.038 122.391 121.300 0.088 0.000 2.421 552 W HA -0.073 4.605 4.660 0.030 0.000 0.270 552 W C 2.424 179.021 176.519 0.130 0.000 1.233 552 W CA 0.974 58.391 57.345 0.121 0.000 1.226 552 W CB -1.170 28.365 29.460 0.124 0.000 1.121 552 W HN 0.210 nan 8.180 nan 0.000 0.579 553 S N 0.389 116.280 115.700 0.318 0.000 2.383 553 S HA -0.221 4.267 4.470 0.030 0.000 0.229 553 S C 1.803 176.541 174.600 0.229 0.000 1.030 553 S CA 1.452 59.818 58.200 0.277 0.000 1.002 553 S CB -0.931 62.483 63.200 0.357 0.000 0.829 553 S HN 0.256 nan 8.310 nan 0.000 0.467 554 I N 2.512 123.221 120.570 0.232 0.000 2.142 554 I HA -0.063 4.125 4.170 0.030 0.000 0.240 554 I C -0.698 175.452 176.117 0.055 0.000 1.078 554 I CA 1.083 62.459 61.300 0.126 0.000 1.343 554 I CB -1.463 36.631 38.000 0.156 0.000 1.046 554 I HN 0.279 nan 8.210 nan 0.000 0.405 555 P HA -0.089 nan 4.420 nan 0.000 0.218 555 P C 1.617 179.012 177.300 0.159 0.000 1.149 555 P CA 1.530 64.723 63.100 0.155 0.000 0.817 555 P CB -0.252 31.605 31.700 0.260 0.000 0.785 556 G N -0.007 108.896 108.800 0.171 0.000 2.418 556 G HA2 -0.224 3.754 3.960 0.030 0.000 0.217 556 G HA3 -0.224 3.754 3.960 0.030 0.000 0.217 556 G C 1.665 176.722 174.900 0.263 0.000 1.158 556 G CA 0.659 45.896 45.100 0.228 0.000 0.771 556 G HN 0.143 nan 8.290 nan 0.000 0.545 557 V N 1.048 121.034 119.914 0.120 0.000 2.255 557 V HA -0.158 3.980 4.120 0.030 0.000 0.247 557 V C 2.957 179.054 176.094 0.006 0.000 1.051 557 V CA 1.653 63.989 62.300 0.059 0.000 1.018 557 V CB -0.476 31.321 31.823 -0.043 0.000 0.641 557 V HN 0.356 nan 8.190 nan 0.000 0.445 558 L N -0.457 120.686 121.223 -0.133 0.000 2.042 558 L HA -0.240 4.118 4.340 0.030 0.000 0.210 558 L C 2.555 179.345 176.870 -0.133 0.000 1.076 558 L CA 1.867 56.552 54.840 -0.258 0.000 0.749 558 L CB -0.711 40.942 42.059 -0.678 0.000 0.893 558 L HN 0.418 nan 8.230 nan 0.000 0.432 559 E N -0.345 119.836 120.200 -0.032 0.000 2.077 559 E HA -0.199 4.170 4.350 0.030 0.000 0.193 559 E C 2.061 178.173 176.600 -0.814 0.000 0.989 559 E CA 1.218 57.434 56.400 -0.307 0.000 0.800 559 E CB -0.108 29.498 29.700 -0.158 0.000 0.746 559 E HN 0.341 nan 8.360 nan 0.000 0.452 560 F N 1.278 121.068 119.950 -0.266 0.000 2.407 560 F HA -0.078 4.468 4.527 0.032 0.000 0.299 560 F C 2.040 177.792 175.800 -0.079 0.000 1.097 560 F CA 0.695 58.651 58.000 -0.074 0.000 1.422 560 F CB -0.083 39.005 39.000 0.147 0.000 1.067 560 F HN 0.031 nan 8.300 nan 0.000 0.539 561 N N 0.453 119.155 118.700 0.004 0.000 2.188 561 N HA -0.131 4.627 4.740 0.030 0.000 0.184 561 N C 1.960 177.425 175.510 -0.075 0.000 1.018 561 N CA 1.137 54.164 53.050 -0.039 0.000 0.858 561 N CB -0.269 38.173 38.487 -0.074 0.000 0.989 561 N HN 0.302 nan 8.380 nan 0.000 0.426 562 L N -0.072 121.060 121.223 -0.152 0.000 2.083 562 L HA -0.114 4.244 4.340 0.030 0.000 0.209 562 L C 1.468 178.339 176.870 0.001 0.000 1.083 562 L CA 0.943 55.743 54.840 -0.067 0.000 0.752 562 L CB -0.484 41.545 42.059 -0.049 0.000 0.899 562 L HN 0.060 nan 8.230 nan 0.000 0.433 563 F N 0.328 120.291 119.950 0.022 0.000 2.811 563 F HA 0.230 4.775 4.527 0.030 0.000 0.301 563 F C 1.836 177.630 175.800 -0.010 0.000 1.151 563 F CA 0.139 58.148 58.000 0.014 0.000 1.412 563 F CB -1.120 37.796 39.000 -0.140 0.000 1.113 563 F HN 0.190 nan 8.300 nan 0.000 0.579 564 G N 1.094 109.952 108.800 0.097 0.000 2.160 564 G HA2 -0.298 3.680 3.960 0.030 0.000 0.244 564 G HA3 -0.298 3.680 3.960 0.030 0.000 0.244 564 G C 0.221 175.153 174.900 0.053 0.000 1.022 564 G CA 0.048 45.138 45.100 -0.016 0.000 0.741 564 G HN 0.395 nan 8.290 nan 0.000 0.508 565 I N 1.047 121.722 120.570 0.175 0.000 2.692 565 I HA 0.193 4.381 4.170 0.030 0.000 0.285 565 I C -0.990 175.249 176.117 0.204 0.000 1.191 565 I CA -2.070 59.361 61.300 0.218 0.000 1.128 565 I CB 1.223 39.452 38.000 0.382 0.000 1.585 565 I HN -0.066 nan 8.210 nan 0.000 0.558 566 P HA -0.139 nan 4.420 nan 0.000 0.223 566 P C 0.841 178.255 177.300 0.190 0.000 1.151 566 P CA 0.882 64.017 63.100 0.058 0.000 0.787 566 P CB 0.374 31.974 31.700 -0.166 0.000 0.788 567 M N 1.108 120.906 119.600 0.330 0.000 2.775 567 M HA 0.285 4.783 4.480 0.030 0.000 0.313 567 M C -1.089 175.335 176.300 0.206 0.000 1.429 567 M CA -0.116 55.398 55.300 0.356 0.000 1.494 567 M CB -0.208 32.550 32.600 0.264 0.000 1.274 567 M HN -0.297 nan 8.290 nan 0.000 0.491 568 V N 4.135 124.203 119.914 0.255 0.000 2.932 568 V HA 1.008 5.146 4.120 0.030 0.000 0.307 568 V C -0.626 175.593 176.094 0.208 0.000 1.147 568 V CA 0.039 62.441 62.300 0.169 0.000 0.951 568 V CB 2.195 34.086 31.823 0.114 0.000 1.031 568 V HN 0.829 nan 8.190 nan 0.000 0.426 569 G N 5.611 114.514 108.800 0.171 0.000 2.550 569 G HA2 0.722 4.700 3.960 0.030 0.000 0.293 569 G HA3 0.722 4.700 3.960 0.030 0.000 0.293 569 G C -3.512 171.313 174.900 -0.124 0.000 1.402 569 G CA -0.645 44.364 45.100 -0.151 0.000 0.784 569 G HN 0.657 nan 8.290 nan 0.000 0.482 570 P HA 0.352 nan 4.420 nan 0.000 0.306 570 P C -1.092 176.207 177.300 -0.002 0.000 1.309 570 P CA -0.418 62.663 63.100 -0.032 0.000 0.759 570 P CB 1.167 32.927 31.700 0.100 0.000 1.314 571 D N 0.195 120.630 120.400 0.058 0.000 2.352 571 D HA 0.271 4.929 4.640 0.030 0.000 0.245 571 D C 0.392 176.445 176.300 -0.410 0.000 1.224 571 D CA 0.084 54.057 54.000 -0.045 0.000 0.879 571 D CB -0.393 40.496 40.800 0.149 0.000 1.057 571 D HN 0.209 nan 8.370 nan 0.000 0.491 572 I N 1.748 122.064 120.570 -0.423 0.000 2.710 572 I HA -0.126 4.062 4.170 0.030 0.000 0.286 572 I C 0.991 176.612 176.117 -0.827 0.000 1.181 572 I CA -0.086 60.760 61.300 -0.757 0.000 1.430 572 I CB 0.394 38.289 38.000 -0.175 0.000 1.367 572 I HN 0.611 nan 8.210 nan 0.000 0.577 573 c N 3.793 121.594 118.600 -1.331 0.000 5.538 573 c HA -0.124 4.464 4.570 0.030 0.000 0.254 573 c C 0.856 174.595 174.090 -0.584 0.000 1.712 573 c CA 0.242 56.211 56.329 -0.599 0.000 1.530 573 c CB -2.480 39.919 42.510 -0.184 0.000 2.410 573 c HN 1.503 nan 8.230 nan 0.000 0.564 574 G N -1.069 107.214 108.800 -0.863 0.000 3.322 574 G HA2 0.066 4.044 3.960 0.030 0.000 0.686 574 G HA3 0.066 4.044 3.960 0.030 0.000 0.686 574 G C -0.247 174.594 174.900 -0.098 0.000 1.015 574 G CA 0.083 44.972 45.100 -0.352 0.000 0.826 574 G HN 1.071 nan 8.290 nan 0.000 0.538 575 F N 2.762 122.653 119.950 -0.099 0.000 2.014 575 F HA 0.352 4.896 4.527 0.029 0.000 0.295 575 F C 2.062 177.819 175.800 -0.070 0.000 1.145 575 F CA 2.620 60.604 58.000 -0.026 0.000 1.178 575 F CB -0.339 38.741 39.000 0.134 0.000 0.972 575 F HN 1.146 nan 8.300 nan 0.000 0.476 576 A N 0.712 123.492 122.820 -0.067 0.000 2.354 576 A HA 0.542 4.880 4.320 0.030 0.000 0.269 576 A C -0.788 176.359 177.584 -0.728 0.000 1.109 576 A CA -0.309 51.453 52.037 -0.459 0.000 0.800 576 A CB 0.175 19.173 19.000 -0.003 0.000 1.045 576 A HN 0.588 nan 8.150 nan 0.000 0.489 577 L N 0.543 120.785 121.223 -1.635 0.000 0.584 577 L HA -0.126 4.233 4.340 0.030 0.000 0.356 577 L C -0.805 175.720 176.870 -0.575 0.000 0.985 577 L CA 0.087 54.383 54.840 -0.907 0.000 1.223 577 L CB -0.848 41.018 42.059 -0.322 0.000 0.010 577 L HN 0.879 nan 8.230 nan 0.000 0.091 578 D N 0.702 120.982 120.400 -0.200 0.000 2.390 578 D HA 0.308 4.966 4.640 0.030 0.000 0.249 578 D C 0.335 176.616 176.300 -0.031 0.000 1.144 578 D CA 0.196 54.168 54.000 -0.047 0.000 0.880 578 D CB 0.960 41.773 40.800 0.022 0.000 1.182 578 D HN 0.545 nan 8.370 nan 0.000 0.451 579 T N 2.426 116.990 114.554 0.016 0.000 2.771 579 T HA 0.380 4.749 4.350 0.030 0.000 0.291 579 T C -2.429 172.350 174.700 0.131 0.000 0.954 579 T CA -1.905 60.232 62.100 0.062 0.000 1.045 579 T CB 0.702 69.619 68.868 0.081 0.000 0.917 579 T HN 0.040 nan 8.240 nan 0.000 0.484 580 P HA 0.119 nan 4.420 nan 0.000 0.268 580 P C 0.935 178.352 177.300 0.194 0.000 1.205 580 P CA -0.238 62.955 63.100 0.155 0.000 0.771 580 P CB 0.550 32.347 31.700 0.163 0.000 0.858 581 E N 2.723 123.078 120.200 0.257 0.000 2.114 581 E HA -0.290 4.078 4.350 0.030 0.000 0.199 581 E C 1.430 178.076 176.600 0.076 0.000 1.008 581 E CA 1.749 58.289 56.400 0.234 0.000 0.810 581 E CB 0.043 29.907 29.700 0.272 0.000 0.739 581 E HN 0.608 nan 8.360 nan 0.000 0.456 582 E N -0.040 120.248 120.200 0.146 0.000 2.072 582 E HA -0.168 4.200 4.350 0.030 0.000 0.190 582 E C 2.434 179.122 176.600 0.146 0.000 0.982 582 E CA 0.711 57.224 56.400 0.188 0.000 0.803 582 E CB -0.135 29.745 29.700 0.300 0.000 0.755 582 E HN 0.200 nan 8.360 nan 0.000 0.453 583 L N 1.153 122.384 121.223 0.012 0.000 1.989 583 L HA -0.190 4.168 4.340 0.030 0.000 0.211 583 L C 2.581 179.336 176.870 -0.191 0.000 1.071 583 L CA 2.084 56.616 54.840 -0.513 0.000 0.749 583 L CB -1.092 40.573 42.059 -0.656 0.000 0.890 583 L HN 0.347 nan 8.230 nan 0.000 0.431 584 c N -0.028 118.536 118.600 -0.059 0.000 2.425 584 c HA -0.161 4.427 4.570 0.030 0.000 0.277 584 c C 3.080 177.110 174.090 -0.100 0.000 1.280 584 c CA 1.170 57.471 56.329 -0.047 0.000 1.744 584 c CB -0.965 41.469 42.510 -0.127 0.000 1.989 584 c HN 0.708 nan 8.230 nan 0.000 0.491 585 R N 0.037 120.450 120.500 -0.144 0.000 2.083 585 R HA -0.107 4.251 4.340 0.030 0.000 0.237 585 R C 2.440 178.736 176.300 -0.006 0.000 1.137 585 R CA 1.583 57.625 56.100 -0.097 0.000 0.951 585 R CB -0.275 29.986 30.300 -0.065 0.000 0.851 585 R HN 0.376 nan 8.270 nan 0.000 0.434 586 R N -0.243 120.267 120.500 0.017 0.000 2.092 586 R HA -0.149 4.209 4.340 0.030 0.000 0.231 586 R C 1.899 178.222 176.300 0.038 0.000 1.119 586 R CA 0.942 57.058 56.100 0.027 0.000 0.970 586 R CB -0.927 29.421 30.300 0.080 0.000 0.864 586 R HN 0.453 nan 8.270 nan 0.000 0.440 587 W N 0.870 122.088 121.300 -0.137 0.000 2.381 587 W HA -0.052 4.628 4.660 0.034 0.000 0.301 587 W C 1.762 178.257 176.519 -0.040 0.000 1.205 587 W CA 0.838 58.135 57.345 -0.079 0.000 1.285 587 W CB -0.193 29.213 29.460 -0.089 0.000 1.133 587 W HN -0.000 nan 8.180 nan 0.000 0.521 588 M N 0.181 119.889 119.600 0.180 0.000 2.175 588 M HA -0.183 4.315 4.480 0.030 0.000 0.264 588 M C 1.928 178.253 176.300 0.041 0.000 1.063 588 M CA 1.480 56.821 55.300 0.069 0.000 1.119 588 M CB -1.406 31.172 32.600 -0.037 0.000 1.377 588 M HN 0.131 nan 8.290 nan 0.000 0.415 589 Q N -0.121 119.694 119.800 0.025 0.000 2.061 589 Q HA -0.210 4.148 4.340 0.030 0.000 0.204 589 Q C 2.077 178.056 176.000 -0.036 0.000 0.984 589 Q CA 1.372 57.137 55.803 -0.064 0.000 0.846 589 Q CB -0.396 28.246 28.738 -0.161 0.000 0.902 589 Q HN 0.327 nan 8.270 nan 0.000 0.421 590 L N 0.401 121.614 121.223 -0.016 0.000 2.017 590 L HA -0.029 4.329 4.340 0.030 0.000 0.208 590 L C 2.089 178.893 176.870 -0.111 0.000 1.073 590 L CA 2.322 57.142 54.840 -0.033 0.000 0.745 590 L CB -1.060 40.952 42.059 -0.078 0.000 0.894 590 L HN 0.190 nan 8.230 nan 0.000 0.432 591 G N -1.138 107.633 108.800 -0.047 0.000 2.470 591 G HA2 -0.195 3.783 3.960 0.030 0.000 0.220 591 G HA3 -0.195 3.783 3.960 0.030 0.000 0.220 591 G C 1.520 176.463 174.900 0.072 0.000 1.121 591 G CA 0.628 45.731 45.100 0.004 0.000 0.766 591 G HN 0.653 nan 8.290 nan 0.000 0.553 592 A N -0.152 122.630 122.820 -0.062 0.000 2.172 592 A HA 0.285 4.624 4.320 0.030 0.000 0.216 592 A C 1.528 178.792 177.584 -0.533 0.000 1.154 592 A CA 0.662 52.518 52.037 -0.301 0.000 0.701 592 A CB -0.305 18.402 19.000 -0.489 0.000 0.789 592 A HN 0.335 nan 8.150 nan 0.000 0.465 593 F N -2.771 117.281 119.950 0.171 0.000 2.682 593 F HA 0.310 4.856 4.527 0.032 0.000 0.308 593 F C -0.174 176.078 175.800 0.754 0.000 1.093 593 F CA -1.017 57.223 58.000 0.401 0.000 1.244 593 F CB 0.005 38.954 39.000 -0.086 0.000 1.052 593 F HN 0.042 nan 8.300 nan 0.000 0.573 594 Y N 2.295 122.963 120.300 0.615 0.000 2.425 594 Y HA 0.161 4.728 4.550 0.029 0.000 0.331 594 Y C -1.241 174.902 175.900 0.405 0.000 1.157 594 Y CA -2.875 55.500 58.100 0.458 0.000 1.372 594 Y CB -0.084 38.548 38.460 0.288 0.000 1.253 594 Y HN -0.126 nan 8.280 nan 0.000 0.536 595 P HA -0.158 nan 4.420 nan 0.000 0.218 595 P C -0.175 177.374 177.300 0.415 0.000 1.149 595 P CA 1.282 64.598 63.100 0.361 0.000 0.817 595 P CB 0.188 32.045 31.700 0.262 0.000 0.785 596 F N 0.371 120.454 119.950 0.221 0.000 2.388 596 F HA 0.566 5.110 4.527 0.029 0.000 0.358 596 F C -0.274 175.600 175.800 0.123 0.000 1.122 596 F CA -1.502 56.553 58.000 0.092 0.000 1.056 596 F CB 1.110 40.119 39.000 0.015 0.000 1.155 596 F HN -0.349 nan 8.300 nan 0.000 0.461 597 S N 7.792 123.220 115.700 -0.453 0.000 2.601 597 S HA 0.529 5.017 4.470 0.030 0.000 0.312 597 S C -0.861 173.424 174.600 -0.525 0.000 1.107 597 S CA -0.613 57.479 58.200 -0.179 0.000 1.129 597 S CB 0.055 63.402 63.200 0.244 0.000 0.982 597 S HN 0.875 nan 8.310 nan 0.000 0.469 598 R N 4.052 124.136 120.500 -0.693 0.000 2.514 598 R HA 0.327 4.685 4.340 0.030 0.000 0.296 598 R C -1.313 174.751 176.300 -0.393 0.000 1.012 598 R CA -0.609 55.032 56.100 -0.764 0.000 0.897 598 R CB 0.831 30.467 30.300 -1.105 0.000 1.184 598 R HN 0.576 nan 8.270 nan 0.000 0.440 599 N N 3.274 121.779 118.700 -0.325 0.000 2.406 599 N HA 0.050 4.808 4.740 0.030 0.000 0.251 599 N C -1.499 173.962 175.510 -0.082 0.000 1.069 599 N CA 0.175 53.165 53.050 -0.100 0.000 0.947 599 N CB 0.644 39.204 38.487 0.122 0.000 1.111 599 N HN 0.638 nan 8.380 nan 0.000 0.497 600 H N 2.443 121.421 119.070 -0.153 0.000 2.747 600 H HA 0.560 5.133 4.556 0.028 0.000 0.371 600 H C -1.318 174.064 175.328 0.089 0.000 1.161 600 H CA -0.717 55.303 56.048 -0.047 0.000 1.167 600 H CB 1.191 30.887 29.762 -0.110 0.000 1.732 600 H HN 0.526 nan 8.280 nan 0.000 0.544 601 N N 1.345 119.778 118.700 -0.445 0.000 2.264 601 N HA 0.420 5.178 4.740 0.030 0.000 0.288 601 N C -0.430 174.792 175.510 -0.481 0.000 1.094 601 N CA -0.006 52.858 53.050 -0.310 0.000 0.817 601 N CB 2.241 40.623 38.487 -0.175 0.000 1.604 601 N HN 0.873 nan 8.380 nan 0.000 0.473 602 G N 0.265 108.633 108.800 -0.720 0.000 2.588 602 G HA2 0.199 4.178 3.960 0.030 0.000 0.281 602 G HA3 0.199 4.178 3.960 0.030 0.000 0.281 602 G C -0.559 174.136 174.900 -0.342 0.000 1.236 602 G CA -0.322 44.258 45.100 -0.867 0.000 0.969 602 G HN 0.632 nan 8.290 nan 0.000 0.504 603 Q N -0.658 118.857 119.800 -0.475 0.000 2.313 603 Q HA 0.390 4.748 4.340 0.030 0.000 0.266 603 Q C 1.311 176.837 176.000 -0.791 0.000 0.989 603 Q CA 0.970 56.333 55.803 -0.734 0.000 0.890 603 Q CB 0.391 28.497 28.738 -1.053 0.000 1.200 603 Q HN 1.177 nan 8.270 nan 0.000 0.396 604 G N 2.689 111.146 108.800 -0.572 0.000 2.234 604 G HA2 -0.307 3.671 3.960 0.030 0.000 0.260 604 G HA3 -0.307 3.671 3.960 0.030 0.000 0.260 604 G C -0.536 174.101 174.900 -0.439 0.000 0.987 604 G CA 0.335 45.134 45.100 -0.502 0.000 0.625 604 G HN 0.627 nan 8.290 nan 0.000 0.532 605 Y N 1.618 121.804 120.300 -0.191 0.000 2.299 605 Y HA 0.479 5.047 4.550 0.030 0.000 0.335 605 Y C 1.254 177.072 175.900 -0.136 0.000 1.287 605 Y CA -0.352 57.656 58.100 -0.154 0.000 1.424 605 Y CB 0.483 38.840 38.460 -0.172 0.000 1.326 605 Y HN 0.426 nan 8.280 nan 0.000 0.567 606 K N 0.963 121.401 120.400 0.065 0.000 2.440 606 K HA -0.012 4.326 4.320 0.030 0.000 0.270 606 K C -0.886 175.683 176.600 -0.051 0.000 0.980 606 K CA -0.578 55.693 56.287 -0.025 0.000 0.953 606 K CB 0.340 32.812 32.500 -0.046 0.000 0.925 606 K HN 0.478 nan 8.250 nan 0.000 0.497 607 D N 2.019 122.365 120.400 -0.091 0.000 2.472 607 D HA -0.076 4.582 4.640 0.030 0.000 0.237 607 D C 0.471 176.708 176.300 -0.106 0.000 1.141 607 D CA 0.517 54.467 54.000 -0.083 0.000 0.875 607 D CB 0.937 41.688 40.800 -0.081 0.000 1.192 607 D HN 0.689 nan 8.370 nan 0.000 0.450 608 Q N 0.378 120.192 119.800 0.024 0.000 2.093 608 Q HA 0.054 4.412 4.340 0.030 0.000 0.217 608 Q C -0.612 175.579 176.000 0.318 0.000 0.785 608 Q CA -0.582 55.354 55.803 0.221 0.000 1.038 608 Q CB 0.331 29.174 28.738 0.175 0.000 1.190 608 Q HN 0.450 nan 8.270 nan 0.000 0.468 609 D N 1.381 121.905 120.400 0.206 0.000 2.443 609 D HA 0.023 4.682 4.640 0.030 0.000 0.239 609 D C -1.753 174.716 176.300 0.280 0.000 1.136 609 D CA -1.137 52.983 54.000 0.201 0.000 0.879 609 D CB 1.421 42.312 40.800 0.152 0.000 1.195 609 D HN -0.130 nan 8.370 nan 0.000 0.443 610 P HA -0.192 nan 4.420 nan 0.000 0.216 610 P C 1.242 178.677 177.300 0.225 0.000 1.157 610 P CA 2.251 65.443 63.100 0.154 0.000 0.880 610 P CB -0.037 31.661 31.700 -0.002 0.000 0.791 611 A N -0.464 122.449 122.820 0.154 0.000 2.209 611 A HA -0.056 4.283 4.320 0.030 0.000 0.212 611 A C 2.119 179.786 177.584 0.138 0.000 1.158 611 A CA 1.365 53.480 52.037 0.131 0.000 0.742 611 A CB -1.303 17.751 19.000 0.090 0.000 0.790 611 A HN 0.334 nan 8.150 nan 0.000 0.472 612 S N -1.365 114.428 115.700 0.155 0.000 2.522 612 S HA 0.029 4.517 4.470 0.030 0.000 0.227 612 S C 1.226 175.770 174.600 -0.093 0.000 0.986 612 S CA 0.473 58.675 58.200 0.004 0.000 0.929 612 S CB -0.716 62.434 63.200 -0.084 0.000 0.769 612 S HN 0.429 nan 8.310 nan 0.000 0.529 613 F N 2.424 122.387 119.950 0.022 0.000 2.789 613 F HA 0.426 4.971 4.527 0.030 0.000 0.300 613 F C 1.483 177.295 175.800 0.020 0.000 1.132 613 F CA 0.486 58.499 58.000 0.022 0.000 1.404 613 F CB 0.106 39.120 39.000 0.023 0.000 1.114 613 F HN 0.493 nan 8.300 nan 0.000 0.584 614 G N -0.448 108.449 108.800 0.162 0.000 2.653 614 G HA2 0.221 4.199 3.960 0.030 0.000 0.656 614 G HA3 0.221 4.199 3.960 0.030 0.000 0.656 614 G C 0.337 175.288 174.900 0.084 0.000 1.419 614 G CA -0.707 44.451 45.100 0.096 0.000 0.862 614 G HN 0.186 nan 8.290 nan 0.000 0.639 615 A N 0.530 123.384 122.820 0.057 0.000 2.024 615 A HA 0.083 4.421 4.320 0.030 0.000 0.220 615 A C 1.559 179.165 177.584 0.038 0.000 1.164 615 A CA 2.395 54.459 52.037 0.045 0.000 0.643 615 A CB -0.031 18.989 19.000 0.034 0.000 0.806 615 A HN 0.598 nan 8.150 nan 0.000 0.451 616 D N -0.732 119.692 120.400 0.039 0.000 2.479 616 D HA 0.112 4.770 4.640 0.030 0.000 0.218 616 D C 0.364 176.685 176.300 0.035 0.000 1.177 616 D CA 0.528 54.545 54.000 0.029 0.000 0.830 616 D CB 0.278 41.091 40.800 0.022 0.000 1.014 616 D HN 0.486 nan 8.370 nan 0.000 0.503 617 S N 0.313 116.046 115.700 0.055 0.000 2.579 617 S HA 0.043 4.531 4.470 0.030 0.000 0.275 617 S C 1.350 175.972 174.600 0.036 0.000 1.345 617 S CA -0.591 57.649 58.200 0.066 0.000 1.031 617 S CB 1.705 64.979 63.200 0.124 0.000 0.892 617 S HN 0.035 nan 8.310 nan 0.000 0.529 618 L N 2.137 123.378 121.223 0.030 0.000 2.127 618 L HA 0.015 4.373 4.340 0.030 0.000 0.211 618 L C 2.083 178.949 176.870 -0.007 0.000 1.089 618 L CA 1.555 56.401 54.840 0.010 0.000 0.757 618 L CB -0.832 41.237 42.059 0.017 0.000 0.899 618 L HN 0.915 nan 8.230 nan 0.000 0.434 619 L N -1.688 119.515 121.223 -0.032 0.000 2.056 619 L HA -0.168 4.190 4.340 0.030 0.000 0.207 619 L C 2.363 179.181 176.870 -0.086 0.000 1.078 619 L CA 1.375 56.145 54.840 -0.116 0.000 0.749 619 L CB -0.250 41.608 42.059 -0.335 0.000 0.901 619 L HN 0.386 nan 8.230 nan 0.000 0.433 620 L N 0.397 121.602 121.223 -0.031 0.000 2.027 620 L HA -0.191 4.167 4.340 0.030 0.000 0.206 620 L C 2.191 179.049 176.870 -0.020 0.000 1.074 620 L CA 1.744 56.576 54.840 -0.013 0.000 0.745 620 L CB -0.959 41.121 42.059 0.035 0.000 0.898 620 L HN 0.293 nan 8.230 nan 0.000 0.433 621 N N -0.597 118.097 118.700 -0.010 0.000 2.036 621 N HA -0.221 4.537 4.740 0.030 0.000 0.195 621 N C 2.106 177.612 175.510 -0.007 0.000 1.037 621 N CA 1.699 54.739 53.050 -0.016 0.000 0.855 621 N CB -0.783 37.690 38.487 -0.024 0.000 1.033 621 N HN 0.452 nan 8.380 nan 0.000 0.423 622 S N 0.036 115.744 115.700 0.012 0.000 2.368 622 S HA -0.065 4.423 4.470 0.030 0.000 0.225 622 S C 2.040 176.719 174.600 0.132 0.000 1.030 622 S CA 1.466 59.722 58.200 0.094 0.000 0.999 622 S CB -0.298 62.979 63.200 0.129 0.000 0.844 622 S HN 0.307 nan 8.310 nan 0.000 0.459 623 S N 1.136 116.852 115.700 0.026 0.000 2.359 623 S HA -0.118 4.370 4.470 0.030 0.000 0.224 623 S C 1.946 176.489 174.600 -0.095 0.000 1.035 623 S CA 1.385 59.555 58.200 -0.050 0.000 1.018 623 S CB -0.464 62.651 63.200 -0.142 0.000 0.876 623 S HN 0.570 nan 8.310 nan 0.000 0.448 624 R N 0.402 120.850 120.500 -0.085 0.000 2.081 624 R HA -0.150 4.209 4.340 0.030 0.000 0.235 624 R C 2.383 178.634 176.300 -0.083 0.000 1.131 624 R CA 1.492 57.530 56.100 -0.104 0.000 0.960 624 R CB -0.495 29.765 30.300 -0.067 0.000 0.856 624 R HN 0.584 nan 8.270 nan 0.000 0.436 625 H N -0.658 118.314 119.070 -0.162 0.000 2.289 625 H HA -0.216 4.358 4.556 0.030 0.000 0.296 625 H C 1.497 176.648 175.328 -0.295 0.000 1.091 625 H CA 2.405 58.297 56.048 -0.261 0.000 1.274 625 H CB -0.221 29.310 29.762 -0.385 0.000 1.364 625 H HN 0.338 nan 8.280 nan 0.000 0.490 626 Y N 0.216 120.460 120.300 -0.093 0.000 2.395 626 Y HA -0.061 4.506 4.550 0.030 0.000 0.293 626 Y C 2.842 178.599 175.900 -0.239 0.000 1.123 626 Y CA 0.196 58.216 58.100 -0.133 0.000 1.227 626 Y CB 0.093 38.574 38.460 0.035 0.000 1.012 626 Y HN 0.131 nan 8.280 nan 0.000 0.552 627 L N -0.327 120.829 121.223 -0.113 0.000 2.141 627 L HA -0.210 4.148 4.340 0.030 0.000 0.209 627 L C 1.618 178.427 176.870 -0.102 0.000 1.094 627 L CA 1.340 56.085 54.840 -0.158 0.000 0.763 627 L CB -0.397 41.488 42.059 -0.291 0.000 0.908 627 L HN 0.301 nan 8.230 nan 0.000 0.437 628 N N -0.226 118.386 118.700 -0.147 0.000 2.270 628 N HA -0.100 4.658 4.740 0.030 0.000 0.181 628 N C 1.857 177.371 175.510 0.008 0.000 1.016 628 N CA 0.714 53.712 53.050 -0.087 0.000 0.870 628 N CB 0.101 38.523 38.487 -0.108 0.000 0.979 628 N HN 0.242 nan 8.380 nan 0.000 0.431 629 I N 0.688 121.216 120.570 -0.071 0.000 2.202 629 I HA -0.234 3.954 4.170 0.030 0.000 0.242 629 I C 2.559 178.717 176.117 0.068 0.000 1.091 629 I CA 0.768 62.060 61.300 -0.014 0.000 1.368 629 I CB -0.200 37.754 38.000 -0.077 0.000 1.058 629 I HN 0.142 nan 8.210 nan 0.000 0.410 630 R N 0.500 120.993 120.500 -0.012 0.000 2.094 630 R HA -0.257 4.101 4.340 0.030 0.000 0.239 630 R C 2.455 178.961 176.300 0.344 0.000 1.137 630 R CA 2.143 58.309 56.100 0.110 0.000 0.943 630 R CB -0.487 29.818 30.300 0.010 0.000 0.850 630 R HN 0.230 nan 8.270 nan 0.000 0.433 631 Y N 0.882 121.254 120.300 0.119 0.000 2.224 631 Y HA -0.134 4.433 4.550 0.029 0.000 0.289 631 Y C 2.647 178.677 175.900 0.218 0.000 1.146 631 Y CA 1.841 60.043 58.100 0.169 0.000 1.182 631 Y CB -0.649 37.887 38.460 0.127 0.000 0.983 631 Y HN 0.148 nan 8.280 nan 0.000 0.524 632 T N 0.161 114.919 114.554 0.341 0.000 2.737 632 T HA -0.190 4.178 4.350 0.030 0.000 0.269 632 T C 1.621 176.533 174.700 0.354 0.000 1.040 632 T CA 1.408 63.688 62.100 0.299 0.000 1.142 632 T CB -0.469 68.553 68.868 0.257 0.000 0.861 632 T HN 0.223 nan 8.240 nan 0.000 0.456 633 L N 0.504 121.971 121.223 0.407 0.000 2.653 633 L HA 0.310 4.668 4.340 0.030 0.000 0.231 633 L C 1.704 178.941 176.870 0.611 0.000 1.153 633 L CA -0.109 55.063 54.840 0.552 0.000 0.933 633 L CB -0.262 42.173 42.059 0.626 0.000 1.175 633 L HN 0.219 nan 8.230 nan 0.000 0.473 634 L N 0.341 121.823 121.223 0.432 0.000 2.083 634 L HA -0.144 4.214 4.340 0.030 0.000 0.209 634 L C -0.250 176.878 176.870 0.431 0.000 1.083 634 L CA 1.393 56.401 54.840 0.280 0.000 0.752 634 L CB -1.526 40.557 42.059 0.041 0.000 0.899 634 L HN 0.274 nan 8.230 nan 0.000 0.433 635 P HA -0.222 nan 4.420 nan 0.000 0.216 635 P C 1.325 179.045 177.300 0.700 0.000 1.150 635 P CA 1.254 64.802 63.100 0.747 0.000 0.837 635 P CB -0.061 32.020 31.700 0.636 0.000 0.786 636 Y N 0.560 121.175 120.300 0.526 0.000 2.114 636 Y HA -0.192 4.376 4.550 0.030 0.000 0.284 636 Y C 2.141 178.292 175.900 0.418 0.000 1.143 636 Y CA 1.268 59.674 58.100 0.510 0.000 1.135 636 Y CB -1.244 37.578 38.460 0.604 0.000 0.980 636 Y HN -0.227 nan 8.280 nan 0.000 0.499 637 L N -0.542 120.822 121.223 0.235 0.000 2.042 637 L HA -0.255 4.103 4.340 0.030 0.000 0.210 637 L C 2.244 179.210 176.870 0.160 0.000 1.076 637 L CA 2.078 56.859 54.840 -0.099 0.000 0.749 637 L CB -1.348 40.547 42.059 -0.274 0.000 0.893 637 L HN 0.419 nan 8.230 nan 0.000 0.432 638 Y N -0.059 120.330 120.300 0.148 0.000 2.224 638 Y HA -0.222 4.347 4.550 0.031 0.000 0.289 638 Y C 2.476 178.573 175.900 0.328 0.000 1.146 638 Y CA 2.067 60.298 58.100 0.219 0.000 1.182 638 Y CB -0.740 37.873 38.460 0.254 0.000 0.983 638 Y HN 0.224 nan 8.280 nan 0.000 0.524 639 T N 1.093 115.864 114.554 0.362 0.000 2.788 639 T HA -0.177 4.191 4.350 0.030 0.000 0.268 639 T C 2.115 176.888 174.700 0.121 0.000 1.044 639 T CA 1.637 63.922 62.100 0.310 0.000 1.139 639 T CB -0.497 68.634 68.868 0.439 0.000 0.867 639 T HN 0.293 nan 8.240 nan 0.000 0.454 640 L N -0.404 120.800 121.223 -0.031 0.000 2.046 640 L HA -0.057 4.302 4.340 0.030 0.000 0.208 640 L C 2.291 179.008 176.870 -0.255 0.000 1.077 640 L CA 1.417 56.136 54.840 -0.201 0.000 0.747 640 L CB -0.614 41.213 42.059 -0.387 0.000 0.896 640 L HN 0.217 nan 8.230 nan 0.000 0.432 641 F N -0.678 119.155 119.950 -0.195 0.000 2.234 641 F HA -0.242 4.303 4.527 0.032 0.000 0.299 641 F C 2.338 177.969 175.800 -0.283 0.000 1.087 641 F CA 1.453 59.321 58.000 -0.219 0.000 1.340 641 F CB -0.516 38.365 39.000 -0.199 0.000 1.031 641 F HN 0.004 nan 8.300 nan 0.000 0.500 642 F N 0.893 120.628 119.950 -0.358 0.000 2.186 642 F HA -0.135 4.409 4.527 0.030 0.000 0.299 642 F C 2.294 177.860 175.800 -0.391 0.000 1.090 642 F CA 1.390 59.008 58.000 -0.635 0.000 1.307 642 F CB -0.268 37.954 39.000 -1.297 0.000 1.019 642 F HN -0.284 nan 8.300 nan 0.000 0.489 643 R N 0.858 121.040 120.500 -0.530 0.000 2.090 643 R HA 0.074 4.432 4.340 0.030 0.000 0.228 643 R C 2.453 178.501 176.300 -0.420 0.000 1.110 643 R CA 1.083 56.853 56.100 -0.550 0.000 0.973 643 R CB -1.560 28.581 30.300 -0.266 0.000 0.869 643 R HN 0.436 nan 8.270 nan 0.000 0.440 644 A N 0.376 123.006 122.820 -0.318 0.000 1.877 644 A HA -0.229 4.109 4.320 0.030 0.000 0.216 644 A C 2.090 179.526 177.584 -0.247 0.000 1.186 644 A CA 1.924 53.805 52.037 -0.260 0.000 0.620 644 A CB -0.731 18.116 19.000 -0.256 0.000 0.822 644 A HN 0.445 nan 8.150 nan 0.000 0.443 645 H N 0.794 119.673 119.070 -0.317 0.000 2.353 645 H HA -0.090 4.484 4.556 0.031 0.000 0.300 645 H C 2.251 177.359 175.328 -0.366 0.000 1.090 645 H CA 2.376 58.238 56.048 -0.310 0.000 1.327 645 H CB -0.038 29.560 29.762 -0.273 0.000 1.383 645 H HN 0.522 nan 8.280 nan 0.000 0.508 646 S N -1.504 113.787 115.700 -0.681 0.000 2.486 646 S HA 0.087 4.575 4.470 0.030 0.000 0.220 646 S C 2.021 176.336 174.600 -0.474 0.000 1.011 646 S CA 0.414 58.212 58.200 -0.670 0.000 0.921 646 S CB 0.444 63.138 63.200 -0.843 0.000 0.785 646 S HN 0.493 nan 8.310 nan 0.000 0.517 647 R N 0.058 120.301 120.500 -0.429 0.000 2.573 647 R HA 0.348 4.706 4.340 0.030 0.000 0.224 647 R C 0.970 177.117 176.300 -0.256 0.000 0.904 647 R CA 0.850 56.772 56.100 -0.298 0.000 0.995 647 R CB 0.420 30.560 30.300 -0.266 0.000 1.430 647 R HN 0.523 nan 8.270 nan 0.000 0.631 648 G N 1.936 110.568 108.800 -0.279 0.000 2.135 648 G HA2 -0.176 3.802 3.960 0.030 0.000 0.183 648 G HA3 -0.176 3.802 3.960 0.030 0.000 0.183 648 G C -1.024 173.763 174.900 -0.188 0.000 1.004 648 G CA 0.057 45.009 45.100 -0.246 0.000 0.677 648 G HN 0.382 nan 8.290 nan 0.000 0.512 649 D N 1.550 121.843 120.400 -0.178 0.000 2.382 649 D HA 0.470 5.128 4.640 0.030 0.000 0.240 649 D C 1.464 177.684 176.300 -0.133 0.000 1.146 649 D CA 0.830 54.757 54.000 -0.123 0.000 0.897 649 D CB 0.705 41.437 40.800 -0.112 0.000 1.197 649 D HN 0.457 nan 8.370 nan 0.000 0.432 650 T N -1.979 112.531 114.554 -0.075 0.000 2.802 650 T HA 0.262 4.630 4.350 0.030 0.000 0.305 650 T C 0.977 175.574 174.700 -0.172 0.000 1.053 650 T CA -0.737 61.302 62.100 -0.102 0.000 1.058 650 T CB 0.738 69.577 68.868 -0.049 0.000 0.988 650 T HN 0.086 nan 8.240 nan 0.000 0.539 651 V N 0.634 120.402 119.914 -0.243 0.000 2.784 651 V HA 0.423 4.561 4.120 0.030 0.000 0.231 651 V C 1.625 177.629 176.094 -0.149 0.000 1.128 651 V CA 0.543 62.626 62.300 -0.362 0.000 1.178 651 V CB -0.863 30.485 31.823 -0.792 0.000 0.943 651 V HN 1.163 nan 8.190 nan 0.000 0.500 652 A N 1.540 124.329 122.820 -0.052 0.000 2.404 652 A HA 0.559 4.897 4.320 0.030 0.000 0.273 652 A C 0.144 177.776 177.584 0.080 0.000 1.144 652 A CA 0.196 52.349 52.037 0.194 0.000 0.806 652 A CB -0.080 18.992 19.000 0.120 0.000 1.080 652 A HN 0.445 nan 8.150 nan 0.000 0.509 653 R N 3.031 123.635 120.500 0.173 0.000 2.621 653 R HA 0.517 4.875 4.340 0.030 0.000 0.292 653 R C -3.078 173.222 176.300 0.000 0.000 0.969 653 R CA -2.059 54.041 56.100 -0.000 0.000 0.887 653 R CB 2.006 32.347 30.300 0.069 0.000 1.180 653 R HN 0.392 nan 8.270 nan 0.000 0.450 654 P HA 0.016 nan 4.420 nan 0.000 0.271 654 P C 0.343 177.712 177.300 0.115 0.000 1.218 654 P CA -0.285 62.737 63.100 -0.129 0.000 0.780 654 P CB 0.625 32.168 31.700 -0.262 0.000 0.901 655 L N 2.864 124.228 121.223 0.234 0.000 2.081 655 L HA -0.207 4.151 4.340 0.030 0.000 0.212 655 L C 2.015 179.170 176.870 0.476 0.000 1.080 655 L CA 1.914 57.001 54.840 0.412 0.000 0.754 655 L CB -1.510 40.783 42.059 0.389 0.000 0.893 655 L HN 0.446 nan 8.230 nan 0.000 0.433 656 L N -3.854 117.618 121.223 0.414 0.000 2.362 656 L HA -0.119 4.239 4.340 0.030 0.000 0.219 656 L C 2.215 179.390 176.870 0.508 0.000 1.134 656 L CA 1.563 56.696 54.840 0.488 0.000 0.807 656 L CB -1.183 41.153 42.059 0.462 0.000 0.927 656 L HN 0.302 nan 8.230 nan 0.000 0.447 657 H N -0.368 118.837 119.070 0.226 0.000 2.495 657 H HA 0.036 4.610 4.556 0.030 0.000 0.287 657 H C 1.320 176.782 175.328 0.222 0.000 1.033 657 H CA 0.982 57.163 56.048 0.223 0.000 1.307 657 H CB 0.539 30.370 29.762 0.115 0.000 1.401 657 H HN 0.484 nan 8.280 nan 0.000 0.555 658 E N 0.034 120.300 120.200 0.110 0.000 2.340 658 E HA 0.025 4.393 4.350 0.030 0.000 0.198 658 E C 0.059 176.187 176.600 -0.787 0.000 0.961 658 E CA 0.336 56.501 56.400 -0.391 0.000 0.905 658 E CB 0.458 29.727 29.700 -0.718 0.000 0.884 658 E HN 0.332 nan 8.360 nan 0.000 0.491 659 F N 0.367 120.331 119.950 0.023 0.000 2.835 659 F HA 0.131 4.676 4.527 0.030 0.000 0.342 659 F C 0.833 176.650 175.800 0.028 0.000 1.202 659 F CA -0.877 57.104 58.000 -0.032 0.000 1.240 659 F CB -0.471 38.624 39.000 0.159 0.000 1.005 659 F HN -0.046 nan 8.300 nan 0.000 0.507 660 Y N -0.836 119.702 120.300 0.397 0.000 2.384 660 Y HA -0.110 4.458 4.550 0.030 0.000 0.289 660 Y C 1.589 177.824 175.900 0.559 0.000 1.152 660 Y CA 0.805 59.201 58.100 0.493 0.000 1.258 660 Y CB -1.135 37.491 38.460 0.278 0.000 0.979 660 Y HN 0.229 nan 8.280 nan 0.000 0.549 661 E N 0.091 120.452 120.200 0.268 0.000 2.338 661 E HA -0.139 4.229 4.350 0.030 0.000 0.197 661 E C 0.024 176.743 176.600 0.197 0.000 1.007 661 E CA 0.840 57.413 56.400 0.289 0.000 0.849 661 E CB -0.023 29.767 29.700 0.150 0.000 0.774 661 E HN 0.359 nan 8.360 nan 0.000 0.506 662 D N 0.827 121.330 120.400 0.172 0.000 2.473 662 D HA -0.015 4.643 4.640 0.030 0.000 0.226 662 D C 0.782 176.910 176.300 -0.287 0.000 1.089 662 D CA -0.346 53.662 54.000 0.013 0.000 0.883 662 D CB 0.270 41.155 40.800 0.141 0.000 1.029 662 D HN -0.019 nan 8.370 nan 0.000 0.517 663 N N 1.905 120.176 118.700 -0.715 0.000 2.348 663 N HA -0.175 4.583 4.740 0.030 0.000 0.185 663 N C 0.853 175.885 175.510 -0.795 0.000 1.019 663 N CA 0.599 52.720 53.050 -1.548 0.000 0.880 663 N CB -0.119 37.466 38.487 -1.504 0.000 0.965 663 N HN 0.094 nan 8.380 nan 0.000 0.437 664 S N -0.270 115.120 115.700 -0.517 0.000 2.469 664 S HA -0.081 4.407 4.470 0.030 0.000 0.238 664 S C 1.692 175.974 174.600 -0.531 0.000 0.998 664 S CA 1.466 59.328 58.200 -0.563 0.000 0.957 664 S CB -0.448 62.224 63.200 -0.881 0.000 0.764 664 S HN 0.829 nan 8.310 nan 0.000 0.514 665 T N -2.641 111.766 114.554 -0.246 0.000 3.081 665 T HA 0.051 4.419 4.350 0.030 0.000 0.250 665 T C 1.127 176.025 174.700 0.330 0.000 1.100 665 T CA -0.196 61.940 62.100 0.060 0.000 1.038 665 T CB -0.263 68.774 68.868 0.282 0.000 0.962 665 T HN 0.356 nan 8.240 nan 0.000 0.516 666 W N 3.570 124.950 121.300 0.133 0.000 2.425 666 W HA 0.140 4.818 4.660 0.030 0.000 0.277 666 W C 1.072 177.780 176.519 0.315 0.000 1.231 666 W CA 0.837 58.330 57.345 0.246 0.000 1.248 666 W CB -0.440 29.149 29.460 0.215 0.000 1.117 666 W HN 0.609 nan 8.180 nan 0.000 0.568 667 D N -1.934 118.723 120.400 0.429 0.000 2.513 667 D HA 0.080 4.738 4.640 0.030 0.000 0.222 667 D C 0.019 176.561 176.300 0.402 0.000 1.210 667 D CA -0.033 54.206 54.000 0.399 0.000 0.825 667 D CB -0.769 40.204 40.800 0.288 0.000 1.037 667 D HN -0.249 nan 8.370 nan 0.000 0.506 668 V N 2.101 122.195 119.914 0.300 0.000 2.479 668 V HA 0.162 4.300 4.120 0.030 0.000 0.281 668 V C 0.640 176.893 176.094 0.266 0.000 1.031 668 V CA 0.366 62.778 62.300 0.186 0.000 1.038 668 V CB 0.284 32.181 31.823 0.123 0.000 0.981 668 V HN 0.544 nan 8.190 nan 0.000 0.478 669 H N 1.418 120.590 119.070 0.171 0.000 3.367 669 H HA 0.313 4.887 4.556 0.030 0.000 0.257 669 H C 0.930 176.343 175.328 0.142 0.000 1.201 669 H CA -0.255 55.891 56.048 0.162 0.000 1.102 669 H CB 0.130 30.029 29.762 0.229 0.000 1.656 669 H HN 0.497 nan 8.280 nan 0.000 0.662 670 Q N 0.477 120.179 119.800 -0.163 0.000 2.282 670 Q HA 0.251 4.610 4.340 0.030 0.000 0.206 670 Q C -0.263 175.749 176.000 0.020 0.000 0.878 670 Q CA 0.215 55.971 55.803 -0.078 0.000 0.944 670 Q CB 1.000 29.631 28.738 -0.180 0.000 1.100 670 Q HN 0.553 nan 8.270 nan 0.000 0.509 671 Q N -0.180 119.657 119.800 0.061 0.000 2.451 671 Q HA 0.598 4.956 4.340 0.030 0.000 0.281 671 Q C -1.130 175.007 176.000 0.228 0.000 1.099 671 Q CA -0.785 55.056 55.803 0.062 0.000 0.806 671 Q CB 2.222 30.931 28.738 -0.048 0.000 1.419 671 Q HN 0.070 nan 8.270 nan 0.000 0.427 672 F N -1.673 118.271 119.950 -0.010 0.000 2.745 672 F HA 0.733 5.278 4.527 0.030 0.000 0.316 672 F C -2.003 173.843 175.800 0.077 0.000 1.155 672 F CA -1.383 56.638 58.000 0.036 0.000 0.937 672 F CB 1.021 40.049 39.000 0.046 0.000 1.361 672 F HN 0.309 nan 8.300 nan 0.000 0.472 673 L N 0.969 122.315 121.223 0.205 0.000 2.330 673 L HA 0.405 4.763 4.340 0.030 0.000 0.271 673 L C -1.324 175.801 176.870 0.425 0.000 1.013 673 L CA -0.702 54.251 54.840 0.189 0.000 0.816 673 L CB 1.273 43.499 42.059 0.279 0.000 1.287 673 L HN 0.554 nan 8.230 nan 0.000 0.435 674 W N 2.495 123.880 121.300 0.140 0.000 2.387 674 W HA 0.506 5.183 4.660 0.029 0.000 0.310 674 W C 0.945 177.599 176.519 0.226 0.000 1.181 674 W CA 0.146 57.626 57.345 0.224 0.000 1.333 674 W CB 0.102 29.757 29.460 0.327 0.000 1.286 674 W HN 0.809 nan 8.180 nan 0.000 0.455 675 G N 5.828 114.780 108.800 0.254 0.000 2.578 675 G HA2 -0.292 3.686 3.960 0.030 0.000 0.284 675 G HA3 -0.292 3.686 3.960 0.030 0.000 0.284 675 G C -1.291 173.748 174.900 0.231 0.000 1.283 675 G CA 0.166 45.365 45.100 0.165 0.000 0.944 675 G HN 0.359 nan 8.290 nan 0.000 0.558 676 P HA 0.137 nan 4.420 nan 0.000 0.235 676 P C 1.261 178.483 177.300 -0.131 0.000 1.177 676 P CA 2.081 65.173 63.100 -0.013 0.000 0.785 676 P CB 0.103 31.758 31.700 -0.074 0.000 0.885 677 G N -0.863 108.026 108.800 0.149 0.000 2.945 677 G HA2 0.233 4.211 3.960 0.030 0.000 0.225 677 G HA3 0.233 4.211 3.960 0.030 0.000 0.225 677 G C -0.193 175.033 174.900 0.544 0.000 1.046 677 G CA 0.138 45.370 45.100 0.220 0.000 0.842 677 G HN 0.195 nan 8.290 nan 0.000 0.543 678 L N 1.617 123.135 121.223 0.491 0.000 2.298 678 L HA 0.721 5.079 4.340 0.030 0.000 0.284 678 L C -1.064 175.864 176.870 0.097 0.000 1.013 678 L CA -1.111 53.865 54.840 0.226 0.000 0.824 678 L CB 1.722 43.837 42.059 0.093 0.000 1.221 678 L HN -0.058 nan 8.230 nan 0.000 0.418 679 L N 6.599 127.841 121.223 0.031 0.000 2.264 679 L HA 0.584 4.942 4.340 0.030 0.000 0.289 679 L C -0.900 175.734 176.870 -0.392 0.000 1.044 679 L CA 0.216 54.931 54.840 -0.209 0.000 0.807 679 L CB 0.828 42.578 42.059 -0.514 0.000 1.192 679 L HN 0.577 nan 8.230 nan 0.000 0.425 680 I N 4.601 124.840 120.570 -0.551 0.000 2.339 680 I HA 0.350 4.539 4.170 0.030 0.000 0.290 680 I C -0.195 175.645 176.117 -0.460 0.000 0.994 680 I CA 0.002 60.886 61.300 -0.693 0.000 1.191 680 I CB 1.597 38.942 38.000 -1.091 0.000 1.343 680 I HN 0.561 nan 8.210 nan 0.000 0.458 681 T N 7.226 121.570 114.554 -0.351 0.000 3.155 681 T HA 0.334 4.702 4.350 0.030 0.000 0.384 681 T C -2.539 172.044 174.700 -0.194 0.000 1.351 681 T CA -1.309 60.654 62.100 -0.229 0.000 1.198 681 T CB 0.559 69.313 68.868 -0.191 0.000 1.106 681 T HN 0.283 nan 8.240 nan 0.000 0.564 682 P HA 0.280 nan 4.420 nan 0.000 0.278 682 P C -0.221 177.037 177.300 -0.069 0.000 1.238 682 P CA -0.439 62.594 63.100 -0.112 0.000 0.794 682 P CB 0.965 32.625 31.700 -0.066 0.000 0.955 683 V N 4.287 124.175 119.914 -0.043 0.000 2.508 683 V HA 0.051 4.189 4.120 0.030 0.000 0.281 683 V C 1.488 177.626 176.094 0.073 0.000 1.041 683 V CA 0.437 62.737 62.300 -0.001 0.000 1.016 683 V CB 0.160 31.992 31.823 0.014 0.000 0.984 683 V HN 0.472 nan 8.190 nan 0.000 0.478 684 L N 3.243 124.504 121.223 0.063 0.000 2.966 684 L HA 0.404 4.762 4.340 0.030 0.000 0.262 684 L C -0.098 176.870 176.870 0.164 0.000 1.165 684 L CA 0.145 55.065 54.840 0.133 0.000 0.978 684 L CB 0.544 42.627 42.059 0.040 0.000 1.337 684 L HN 0.569 nan 8.230 nan 0.000 0.563 685 D N 1.109 121.461 120.400 -0.081 0.000 2.375 685 D HA 0.136 4.794 4.640 0.030 0.000 0.247 685 D C -0.444 175.296 176.300 -0.935 0.000 1.061 685 D CA -0.296 53.463 54.000 -0.402 0.000 0.834 685 D CB 2.173 42.826 40.800 -0.244 0.000 1.247 685 D HN -0.001 nan 8.370 nan 0.000 0.489 686 E N 0.380 119.635 120.200 -1.575 0.000 2.480 686 E HA 0.198 4.567 4.350 0.030 0.000 0.258 686 E C 0.973 177.187 176.600 -0.644 0.000 0.984 686 E CA 0.581 56.031 56.400 -1.584 0.000 0.930 686 E CB 0.251 29.137 29.700 -1.356 0.000 0.936 686 E HN 0.738 nan 8.360 nan 0.000 0.466 687 G N 2.507 111.078 108.800 -0.382 0.000 2.199 687 G HA2 -0.304 3.675 3.960 0.030 0.000 0.254 687 G HA3 -0.304 3.675 3.960 0.030 0.000 0.254 687 G C 0.188 175.002 174.900 -0.144 0.000 0.982 687 G CA 0.048 45.038 45.100 -0.184 0.000 0.632 687 G HN 0.846 nan 8.290 nan 0.000 0.529 688 A N 0.054 122.764 122.820 -0.183 0.000 2.363 688 A HA 0.715 5.053 4.320 0.030 0.000 0.270 688 A C 0.607 178.156 177.584 -0.058 0.000 1.121 688 A CA 0.390 52.354 52.037 -0.122 0.000 0.800 688 A CB 0.426 19.338 19.000 -0.146 0.000 1.052 688 A HN 0.403 nan 8.150 nan 0.000 0.493 689 E N 0.869 121.042 120.200 -0.045 0.000 2.887 689 E HA 0.178 4.546 4.350 0.030 0.000 0.206 689 E C -0.891 175.695 176.600 -0.024 0.000 0.983 689 E CA 0.058 56.446 56.400 -0.021 0.000 1.141 689 E CB 0.519 30.213 29.700 -0.010 0.000 1.061 689 E HN 0.607 nan 8.360 nan 0.000 0.468 690 K N 0.476 120.851 120.400 -0.043 0.000 2.527 690 K HA 0.519 4.857 4.320 0.030 0.000 0.260 690 K C -1.721 174.835 176.600 -0.072 0.000 0.937 690 K CA -0.687 55.568 56.287 -0.054 0.000 0.826 690 K CB 3.213 35.677 32.500 -0.059 0.000 1.359 690 K HN -0.145 nan 8.250 nan 0.000 0.434 691 V N 3.565 123.425 119.914 -0.091 0.000 2.709 691 V HA 0.407 4.545 4.120 0.030 0.000 0.308 691 V C -1.001 175.007 176.094 -0.143 0.000 1.062 691 V CA -0.841 61.395 62.300 -0.107 0.000 0.901 691 V CB 1.972 33.733 31.823 -0.103 0.000 1.003 691 V HN 0.723 nan 8.190 nan 0.000 0.425 692 M N 5.295 124.817 119.600 -0.130 0.000 2.220 692 M HA 0.503 5.001 4.480 0.030 0.000 0.343 692 M C 0.063 176.271 176.300 -0.153 0.000 1.470 692 M CA 0.308 55.521 55.300 -0.145 0.000 1.161 692 M CB 0.390 32.927 32.600 -0.105 0.000 1.737 692 M HN 0.778 nan 8.290 nan 0.000 0.464 693 A N 4.639 127.332 122.820 -0.213 0.000 2.413 693 A HA 0.659 4.997 4.320 0.030 0.000 0.307 693 A C -1.774 175.690 177.584 -0.199 0.000 1.087 693 A CA -0.626 51.280 52.037 -0.218 0.000 0.750 693 A CB 1.375 20.194 19.000 -0.303 0.000 1.296 693 A HN 0.673 nan 8.150 nan 0.000 0.423 694 Y N 1.598 121.737 120.300 -0.269 0.000 2.328 694 Y HA 0.501 5.069 4.550 0.030 0.000 0.337 694 Y C -0.481 175.213 175.900 -0.344 0.000 1.008 694 Y CA -0.413 57.531 58.100 -0.261 0.000 1.129 694 Y CB 1.460 39.819 38.460 -0.168 0.000 1.185 694 Y HN 0.396 nan 8.280 nan 0.000 0.476 695 V N 9.637 128.949 119.914 -1.002 0.000 2.318 695 V HA 0.305 4.443 4.120 0.030 0.000 0.271 695 V C -2.141 173.439 176.094 -0.856 0.000 1.030 695 V CA -2.079 59.709 62.300 -0.852 0.000 0.844 695 V CB 0.631 32.123 31.823 -0.552 0.000 1.015 695 V HN 0.727 nan 8.190 nan 0.000 0.460 696 P HA 0.011 nan 4.420 nan 0.000 0.271 696 P C -0.160 177.031 177.300 -0.182 0.000 1.238 696 P CA -0.268 62.558 63.100 -0.457 0.000 0.794 696 P CB 0.460 31.466 31.700 -1.157 0.000 0.959 697 D N 0.298 120.577 120.400 -0.201 0.000 2.541 697 D HA 0.359 5.017 4.640 0.030 0.000 0.231 697 D C -0.655 175.657 176.300 0.019 0.000 1.163 697 D CA 0.555 54.545 54.000 -0.017 0.000 1.077 697 D CB -1.216 39.631 40.800 0.078 0.000 1.110 697 D HN 0.334 nan 8.370 nan 0.000 0.499 698 A N 1.707 124.489 122.820 -0.064 0.000 2.586 698 A HA 0.448 4.786 4.320 0.030 0.000 0.291 698 A C -1.059 176.297 177.584 -0.380 0.000 1.062 698 A CA -0.740 51.153 52.037 -0.241 0.000 0.666 698 A CB 0.900 19.608 19.000 -0.487 0.000 1.281 698 A HN 0.046 nan 8.150 nan 0.000 0.421 699 V N 0.692 120.382 119.914 -0.373 0.000 2.521 699 V HA 0.262 4.401 4.120 0.030 0.000 0.286 699 V C -0.699 175.019 176.094 -0.627 0.000 1.034 699 V CA 0.765 62.830 62.300 -0.391 0.000 1.045 699 V CB -0.157 31.500 31.823 -0.277 0.000 0.974 699 V HN 0.682 nan 8.190 nan 0.000 0.480 700 W N 4.280 125.406 121.300 -0.289 0.000 2.666 700 W HA 0.666 5.344 4.660 0.030 0.000 0.334 700 W C -0.901 175.405 176.519 -0.356 0.000 1.051 700 W CA -0.616 56.614 57.345 -0.191 0.000 1.224 700 W CB 1.429 30.820 29.460 -0.115 0.000 1.405 700 W HN 0.427 nan 8.180 nan 0.000 0.513 701 Y N 1.369 121.886 120.300 0.361 0.000 2.376 701 Y HA 0.150 4.718 4.550 0.030 0.000 0.340 701 Y C 0.404 176.440 175.900 0.227 0.000 0.965 701 Y CA -1.324 56.905 58.100 0.214 0.000 1.078 701 Y CB 1.165 39.684 38.460 0.099 0.000 1.193 701 Y HN 0.307 nan 8.280 nan 0.000 0.452 702 D N 2.154 122.726 120.400 0.285 0.000 2.487 702 D HA -0.157 4.501 4.640 0.030 0.000 0.243 702 D C 0.648 176.942 176.300 -0.009 0.000 1.154 702 D CA 0.545 54.553 54.000 0.012 0.000 0.876 702 D CB 0.610 41.412 40.800 0.004 0.000 1.161 702 D HN 0.793 nan 8.370 nan 0.000 0.478 703 Y N 4.676 124.862 120.300 -0.190 0.000 2.128 703 Y HA -0.200 4.368 4.550 0.030 0.000 0.284 703 Y C 1.928 177.768 175.900 -0.100 0.000 1.154 703 Y CA 1.710 59.718 58.100 -0.153 0.000 1.149 703 Y CB 0.267 38.602 38.460 -0.209 0.000 0.976 703 Y HN 0.524 nan 8.280 nan 0.000 0.505 704 E N -0.977 119.201 120.200 -0.038 0.000 2.076 704 E HA -0.134 4.234 4.350 0.030 0.000 0.190 704 E C 2.175 178.699 176.600 -0.127 0.000 0.979 704 E CA 1.765 58.121 56.400 -0.074 0.000 0.807 704 E CB -0.244 29.512 29.700 0.092 0.000 0.761 704 E HN 0.636 nan 8.360 nan 0.000 0.454 705 T N -2.884 111.619 114.554 -0.085 0.000 2.978 705 T HA 0.151 4.519 4.350 0.030 0.000 0.262 705 T C 1.702 176.340 174.700 -0.102 0.000 1.063 705 T CA 0.912 62.963 62.100 -0.082 0.000 1.140 705 T CB 0.339 69.177 68.868 -0.050 0.000 0.886 705 T HN 0.309 nan 8.240 nan 0.000 0.470 706 G N 1.495 110.239 108.800 -0.094 0.000 2.176 706 G HA2 -0.268 3.710 3.960 0.030 0.000 0.253 706 G HA3 -0.268 3.710 3.960 0.030 0.000 0.253 706 G C 0.314 175.244 174.900 0.051 0.000 0.979 706 G CA 0.378 45.428 45.100 -0.083 0.000 0.641 706 G HN 1.387 nan 8.290 nan 0.000 0.530 707 S N -0.132 115.603 115.700 0.058 0.000 2.549 707 S HA 0.507 4.995 4.470 0.030 0.000 0.279 707 S C 0.243 174.940 174.600 0.162 0.000 1.321 707 S CA 0.198 58.450 58.200 0.086 0.000 1.054 707 S CB 1.701 64.899 63.200 -0.004 0.000 0.899 707 S HN 0.597 nan 8.310 nan 0.000 0.497 708 Q N 2.542 122.428 119.800 0.144 0.000 2.296 708 Q HA 0.297 4.655 4.340 0.030 0.000 0.263 708 Q C 0.237 176.138 176.000 -0.165 0.000 1.026 708 Q CA -0.739 55.020 55.803 -0.073 0.000 0.912 708 Q CB 0.650 29.312 28.738 -0.126 0.000 1.198 708 Q HN 0.811 nan 8.270 nan 0.000 0.407 709 V N 2.873 122.659 119.914 -0.213 0.000 2.999 709 V HA 0.093 4.231 4.120 0.030 0.000 0.307 709 V C 0.833 176.690 176.094 -0.395 0.000 1.084 709 V CA -0.271 61.774 62.300 -0.425 0.000 1.155 709 V CB 1.129 32.644 31.823 -0.514 0.000 0.975 709 V HN 0.830 nan 8.190 nan 0.000 0.490 710 R N 1.800 121.966 120.500 -0.557 0.000 2.246 710 R HA 0.157 4.515 4.340 0.030 0.000 0.199 710 R C 0.444 176.639 176.300 -0.175 0.000 0.984 710 R CA 0.112 56.020 56.100 -0.319 0.000 1.015 710 R CB -0.121 30.025 30.300 -0.258 0.000 0.930 710 R HN 0.858 nan 8.270 nan 0.000 0.475 711 W N 1.980 123.224 121.300 -0.092 0.000 2.210 711 W HA 0.263 4.941 4.660 0.030 0.000 0.330 711 W C 0.609 177.071 176.519 -0.096 0.000 1.334 711 W CA -0.500 56.771 57.345 -0.123 0.000 1.227 711 W CB -0.063 29.279 29.460 -0.196 0.000 1.178 711 W HN -0.109 nan 8.180 nan 0.000 0.560 712 R N 2.455 123.024 120.500 0.115 0.000 2.523 712 R HA 0.132 4.490 4.340 0.030 0.000 0.278 712 R C -0.163 176.113 176.300 -0.041 0.000 1.150 712 R CA -0.842 55.285 56.100 0.045 0.000 0.987 712 R CB 0.852 31.169 30.300 0.030 0.000 1.232 712 R HN 0.561 nan 8.270 nan 0.000 0.424 713 K N 3.321 123.639 120.400 -0.137 0.000 3.393 713 K HA -0.236 4.103 4.320 0.030 0.000 0.272 713 K C -1.646 174.859 176.600 -0.158 0.000 1.004 713 K CA 1.734 57.929 56.287 -0.154 0.000 0.764 713 K CB -0.718 31.784 32.500 0.003 0.000 1.373 713 K HN 0.815 nan 8.250 nan 0.000 0.458 714 Q N -0.450 119.075 119.800 -0.458 0.000 2.647 714 Q HA 0.358 4.716 4.340 0.030 0.000 0.283 714 Q C -1.513 174.269 176.000 -0.363 0.000 0.943 714 Q CA -1.428 54.248 55.803 -0.211 0.000 0.813 714 Q CB 0.837 29.503 28.738 -0.121 0.000 1.477 714 Q HN 0.077 nan 8.270 nan 0.000 0.393 715 K N 0.903 121.278 120.400 -0.041 0.000 2.298 715 K HA 0.512 4.850 4.320 0.030 0.000 0.280 715 K C -0.164 176.264 176.600 -0.285 0.000 1.032 715 K CA -0.275 55.962 56.287 -0.083 0.000 0.958 715 K CB 1.341 33.847 32.500 0.010 0.000 0.978 715 K HN 0.498 nan 8.250 nan 0.000 0.472 716 V N -1.300 118.354 119.914 -0.434 0.000 3.078 716 V HA 0.398 4.536 4.120 0.030 0.000 0.311 716 V C -0.857 174.956 176.094 -0.467 0.000 1.138 716 V CA -1.022 60.905 62.300 -0.622 0.000 1.007 716 V CB 1.959 32.954 31.823 -1.380 0.000 1.045 716 V HN 0.815 nan 8.190 nan 0.000 0.432 717 E N 2.548 122.518 120.200 -0.382 0.000 1.993 717 E HA 0.392 4.760 4.350 0.030 0.000 0.271 717 E C -0.529 175.910 176.600 -0.267 0.000 1.008 717 E CA -0.443 55.807 56.400 -0.251 0.000 0.814 717 E CB 0.976 30.592 29.700 -0.140 0.000 1.098 717 E HN 0.789 nan 8.360 nan 0.000 0.407 718 M N 3.968 123.395 119.600 -0.288 0.000 2.162 718 M HA 0.103 4.601 4.480 0.030 0.000 0.356 718 M C -0.407 175.871 176.300 -0.037 0.000 1.303 718 M CA -0.201 54.992 55.300 -0.178 0.000 1.116 718 M CB 0.586 33.072 32.600 -0.190 0.000 1.632 718 M HN 0.299 nan 8.290 nan 0.000 0.469 719 E N 7.029 127.264 120.200 0.058 0.000 2.180 719 E HA 0.232 4.600 4.350 0.030 0.000 0.283 719 E C -1.133 175.494 176.600 0.045 0.000 1.061 719 E CA 0.045 56.472 56.400 0.045 0.000 0.861 719 E CB 0.549 30.290 29.700 0.067 0.000 1.056 719 E HN 0.680 nan 8.360 nan 0.000 0.407 720 L N 5.622 126.855 121.223 0.016 0.000 2.462 720 L HA 0.289 4.647 4.340 0.030 0.000 0.255 720 L C -2.418 174.462 176.870 0.017 0.000 1.076 720 L CA -1.977 52.873 54.840 0.017 0.000 0.920 720 L CB 1.504 43.559 42.059 -0.007 0.000 1.214 720 L HN 0.138 nan 8.230 nan 0.000 0.472 721 P HA 0.034 nan 4.420 nan 0.000 0.272 721 P C 1.097 178.418 177.300 0.036 0.000 1.254 721 P CA -0.076 63.039 63.100 0.025 0.000 0.795 721 P CB 0.732 32.446 31.700 0.024 0.000 1.022 722 G N 0.723 109.544 108.800 0.036 0.000 2.479 722 G HA2 -0.220 3.758 3.960 0.030 0.000 0.220 722 G HA3 -0.220 3.758 3.960 0.030 0.000 0.220 722 G C 0.657 175.594 174.900 0.062 0.000 1.115 722 G CA 0.749 45.878 45.100 0.048 0.000 0.757 722 G HN 0.627 nan 8.290 nan 0.000 0.560 723 D N -0.783 119.656 120.400 0.065 0.000 2.340 723 D HA 0.116 4.774 4.640 0.030 0.000 0.217 723 D C 0.488 176.918 176.300 0.217 0.000 1.081 723 D CA 0.105 54.165 54.000 0.099 0.000 0.842 723 D CB 0.295 41.110 40.800 0.025 0.000 0.934 723 D HN 0.013 nan 8.370 nan 0.000 0.511 724 K N 0.446 120.946 120.400 0.167 0.000 2.435 724 K HA 0.550 4.889 4.320 0.030 0.000 0.251 724 K C -0.826 175.762 176.600 -0.021 0.000 0.954 724 K CA -0.849 55.556 56.287 0.197 0.000 0.820 724 K CB 3.016 35.598 32.500 0.136 0.000 1.292 724 K HN 0.085 nan 8.250 nan 0.000 0.436 725 I N -0.721 119.719 120.570 -0.218 0.000 2.689 725 I HA 0.455 4.643 4.170 0.030 0.000 0.299 725 I C -0.123 175.845 176.117 -0.248 0.000 1.059 725 I CA -0.674 60.428 61.300 -0.330 0.000 1.055 725 I CB 2.059 39.715 38.000 -0.574 0.000 1.243 725 I HN 0.644 nan 8.210 nan 0.000 0.425 726 G N 7.240 115.915 108.800 -0.209 0.000 2.354 726 G HA2 0.472 4.450 3.960 0.030 0.000 0.266 726 G HA3 0.472 4.450 3.960 0.030 0.000 0.266 726 G C -0.968 173.739 174.900 -0.322 0.000 1.242 726 G CA -0.298 44.708 45.100 -0.157 0.000 0.923 726 G HN 0.517 nan 8.290 nan 0.000 0.476 727 L N 3.117 124.097 121.223 -0.405 0.000 2.404 727 L HA 0.391 4.750 4.340 0.030 0.000 0.272 727 L C -0.893 175.672 176.870 -0.510 0.000 0.980 727 L CA -0.872 53.682 54.840 -0.477 0.000 0.836 727 L CB 1.971 43.720 42.059 -0.517 0.000 1.238 727 L HN 0.585 nan 8.230 nan 0.000 0.408 728 H N 2.920 121.916 119.070 -0.124 0.000 2.637 728 H HA 0.586 5.161 4.556 0.031 0.000 0.363 728 H C -0.786 174.699 175.328 0.261 0.000 1.131 728 H CA -0.545 55.561 56.048 0.096 0.000 1.183 728 H CB 2.122 31.936 29.762 0.087 0.000 1.637 728 H HN 0.368 nan 8.280 nan 0.000 0.531 729 L N 2.213 123.686 121.223 0.417 0.000 2.289 729 L HA 0.431 4.789 4.340 0.030 0.000 0.285 729 L C 0.543 177.728 176.870 0.525 0.000 1.049 729 L CA -0.654 54.370 54.840 0.307 0.000 0.804 729 L CB 1.148 43.222 42.059 0.026 0.000 1.195 729 L HN 0.430 nan 8.230 nan 0.000 0.428 730 R N 1.923 122.665 120.500 0.403 0.000 2.370 730 R HA 0.235 4.593 4.340 0.030 0.000 0.309 730 R C 0.310 176.782 176.300 0.287 0.000 1.059 730 R CA -0.260 55.793 56.100 -0.078 0.000 0.981 730 R CB 0.772 30.940 30.300 -0.219 0.000 0.972 730 R HN 0.822 nan 8.270 nan 0.000 0.437 731 G N 1.699 110.581 108.800 0.137 0.000 2.432 731 G HA2 0.330 4.308 3.960 0.030 0.000 0.239 731 G HA3 0.330 4.308 3.960 0.030 0.000 0.239 731 G C 0.823 175.865 174.900 0.237 0.000 1.291 731 G CA 0.255 45.538 45.100 0.304 0.000 0.863 731 G HN 0.931 nan 8.290 nan 0.000 0.560 732 G N 0.197 109.095 108.800 0.163 0.000 2.179 732 G HA2 -0.204 3.774 3.960 0.030 0.000 0.220 732 G HA3 -0.204 3.774 3.960 0.030 0.000 0.220 732 G C -0.024 174.657 174.900 -0.366 0.000 0.990 732 G CA 0.379 45.430 45.100 -0.081 0.000 0.646 732 G HN 0.845 nan 8.290 nan 0.000 0.517 733 Y N -0.385 119.922 120.300 0.012 0.000 2.477 733 Y HA 0.721 5.290 4.550 0.030 0.000 0.347 733 Y C 0.387 176.091 175.900 -0.326 0.000 0.981 733 Y CA -1.125 56.858 58.100 -0.194 0.000 1.033 733 Y CB 1.718 39.989 38.460 -0.315 0.000 1.245 733 Y HN 0.082 nan 8.280 nan 0.000 0.455 734 I N 3.752 124.164 120.570 -0.263 0.000 2.362 734 I HA 0.340 4.528 4.170 0.030 0.000 0.289 734 I C -1.333 174.573 176.117 -0.351 0.000 0.994 734 I CA -0.564 60.616 61.300 -0.200 0.000 1.158 734 I CB 0.986 38.960 38.000 -0.043 0.000 1.315 734 I HN 0.402 nan 8.210 nan 0.000 0.451 735 F N 7.424 127.376 119.950 0.003 0.000 2.402 735 F HA 0.410 4.955 4.527 0.030 0.000 0.355 735 F C -2.130 173.693 175.800 0.039 0.000 1.123 735 F CA -2.604 55.391 58.000 -0.010 0.000 1.021 735 F CB 1.097 40.026 39.000 -0.118 0.000 1.160 735 F HN 0.217 nan 8.300 nan 0.000 0.451 736 P HA 0.189 nan 4.420 nan 0.000 0.281 736 P C -0.383 177.153 177.300 0.394 0.000 1.252 736 P CA -0.124 63.169 63.100 0.321 0.000 0.778 736 P CB 1.481 33.475 31.700 0.490 0.000 0.895 737 T N -0.001 114.741 114.554 0.314 0.000 2.888 737 T HA 0.621 4.989 4.350 0.030 0.000 0.288 737 T C -1.012 173.821 174.700 0.221 0.000 1.063 737 T CA -0.755 61.520 62.100 0.293 0.000 1.010 737 T CB 2.013 71.027 68.868 0.243 0.000 1.214 737 T HN 0.463 nan 8.240 nan 0.000 0.533 738 Q N 0.464 120.391 119.800 0.212 0.000 2.295 738 Q HA 0.281 4.639 4.340 0.030 0.000 0.268 738 Q C -1.205 174.890 176.000 0.157 0.000 1.010 738 Q CA -0.583 55.307 55.803 0.145 0.000 0.856 738 Q CB 2.249 31.085 28.738 0.163 0.000 1.349 738 Q HN 0.860 nan 8.270 nan 0.000 0.412 739 Q N 5.063 124.926 119.800 0.104 0.000 2.286 739 Q HA 0.135 4.493 4.340 0.030 0.000 0.290 739 Q C -2.085 173.997 176.000 0.137 0.000 1.049 739 Q CA -0.907 54.956 55.803 0.100 0.000 0.923 739 Q CB 0.642 29.414 28.738 0.058 0.000 1.183 739 Q HN 0.360 nan 8.270 nan 0.000 0.383 740 P HA 0.213 nan 4.420 nan 0.000 0.279 740 P C -1.063 176.320 177.300 0.139 0.000 1.252 740 P CA -0.380 62.840 63.100 0.201 0.000 0.811 740 P CB 1.135 32.949 31.700 0.191 0.000 1.035 741 N N -0.958 117.846 118.700 0.174 0.000 2.831 741 N HA 0.208 4.966 4.740 0.030 0.000 0.276 741 N C 0.887 176.429 175.510 0.054 0.000 1.416 741 N CA -0.392 52.716 53.050 0.095 0.000 0.799 741 N CB 0.897 39.446 38.487 0.104 0.000 1.554 741 N HN 0.316 nan 8.380 nan 0.000 0.541 742 T N -3.087 111.472 114.554 0.009 0.000 3.072 742 T HA 0.058 4.426 4.350 0.030 0.000 0.266 742 T C 0.784 175.527 174.700 0.072 0.000 1.127 742 T CA 1.075 63.152 62.100 -0.039 0.000 1.107 742 T CB -0.632 68.230 68.868 -0.010 0.000 0.910 742 T HN 0.613 nan 8.240 nan 0.000 0.513 743 T N -1.478 113.179 114.554 0.170 0.000 2.906 743 T HA 0.500 4.868 4.350 0.030 0.000 0.295 743 T C 1.086 175.976 174.700 0.316 0.000 1.061 743 T CA -0.117 62.131 62.100 0.247 0.000 1.000 743 T CB 1.840 70.756 68.868 0.080 0.000 1.103 743 T HN 0.106 nan 8.240 nan 0.000 0.486 744 T N 0.204 114.941 114.554 0.306 0.000 2.995 744 T HA -0.061 4.307 4.350 0.030 0.000 0.269 744 T C 1.853 176.640 174.700 0.145 0.000 1.091 744 T CA 0.839 63.092 62.100 0.255 0.000 1.128 744 T CB -0.485 68.566 68.868 0.306 0.000 0.891 744 T HN 0.458 nan 8.240 nan 0.000 0.492 745 L N 1.744 123.022 121.223 0.091 0.000 1.989 745 L HA 0.111 4.469 4.340 0.030 0.000 0.211 745 L C 2.853 179.741 176.870 0.030 0.000 1.071 745 L CA 2.094 56.946 54.840 0.021 0.000 0.749 745 L CB -1.111 40.932 42.059 -0.026 0.000 0.890 745 L HN 0.326 nan 8.230 nan 0.000 0.431 746 A N -0.923 121.928 122.820 0.052 0.000 1.855 746 A HA -0.190 4.148 4.320 0.030 0.000 0.215 746 A C 2.496 180.131 177.584 0.085 0.000 1.191 746 A CA 1.994 54.063 52.037 0.054 0.000 0.613 746 A CB -1.295 17.736 19.000 0.052 0.000 0.829 746 A HN 0.666 nan 8.150 nan 0.000 0.442 747 S N 0.303 116.088 115.700 0.142 0.000 2.387 747 S HA -0.257 4.231 4.470 0.030 0.000 0.230 747 S C 1.916 176.609 174.600 0.155 0.000 1.035 747 S CA 1.560 59.870 58.200 0.182 0.000 1.014 747 S CB -0.581 62.799 63.200 0.300 0.000 0.836 747 S HN 0.590 nan 8.310 nan 0.000 0.466 748 R N 1.246 121.819 120.500 0.122 0.000 2.293 748 R HA 0.101 4.459 4.340 0.030 0.000 0.219 748 R C 1.843 178.224 176.300 0.136 0.000 1.091 748 R CA 1.175 57.358 56.100 0.138 0.000 1.004 748 R CB -0.179 30.103 30.300 -0.031 0.000 0.865 748 R HN 0.537 nan 8.270 nan 0.000 0.469 749 K N -0.164 120.279 120.400 0.073 0.000 2.404 749 K HA 0.078 4.416 4.320 0.030 0.000 0.194 749 K C 0.055 176.659 176.600 0.007 0.000 1.023 749 K CA -0.078 56.230 56.287 0.036 0.000 1.094 749 K CB 0.244 32.758 32.500 0.024 0.000 0.841 749 K HN 0.059 nan 8.250 nan 0.000 0.523 750 N N 1.543 120.253 118.700 0.017 0.000 2.463 750 N HA 0.197 4.955 4.740 0.030 0.000 0.270 750 N C -2.685 172.795 175.510 -0.050 0.000 1.205 750 N CA -2.111 50.940 53.050 0.001 0.000 0.974 750 N CB 0.491 39.002 38.487 0.040 0.000 1.197 750 N HN -0.214 nan 8.380 nan 0.000 0.504 751 P HA 0.043 nan 4.420 nan 0.000 0.265 751 P C -0.361 176.887 177.300 -0.086 0.000 1.187 751 P CA 0.354 63.403 63.100 -0.084 0.000 0.766 751 P CB 0.542 32.215 31.700 -0.045 0.000 0.820 752 L N 1.782 122.904 121.223 -0.168 0.000 2.416 752 L HA 0.838 5.196 4.340 0.030 0.000 0.263 752 L C 1.133 178.049 176.870 0.076 0.000 1.065 752 L CA -0.276 54.494 54.840 -0.116 0.000 0.798 752 L CB 0.885 42.676 42.059 -0.447 0.000 1.267 752 L HN 0.413 nan 8.230 nan 0.000 0.467 753 G N -0.023 108.911 108.800 0.223 0.000 2.690 753 G HA2 0.708 4.686 3.960 0.030 0.000 0.291 753 G HA3 0.708 4.686 3.960 0.030 0.000 0.291 753 G C -1.769 173.230 174.900 0.164 0.000 1.403 753 G CA -0.610 44.603 45.100 0.188 0.000 0.864 753 G HN 0.344 nan 8.290 nan 0.000 0.480 754 L N 0.475 121.676 121.223 -0.038 0.000 2.362 754 L HA 0.558 4.916 4.340 0.030 0.000 0.275 754 L C -0.658 176.157 176.870 -0.091 0.000 0.998 754 L CA -0.785 53.938 54.840 -0.194 0.000 0.820 754 L CB 2.289 44.047 42.059 -0.503 0.000 1.270 754 L HN 0.330 nan 8.230 nan 0.000 0.415 755 I N 4.298 124.870 120.570 0.003 0.000 2.328 755 I HA 0.351 4.539 4.170 0.030 0.000 0.287 755 I C -0.342 175.838 176.117 0.105 0.000 1.012 755 I CA -0.232 61.095 61.300 0.045 0.000 1.195 755 I CB 1.424 39.470 38.000 0.077 0.000 1.350 755 I HN 0.409 nan 8.210 nan 0.000 0.464 756 I N 6.317 126.884 120.570 -0.005 0.000 2.306 756 I HA 0.379 4.567 4.170 0.030 0.000 0.288 756 I C 0.446 176.553 176.117 -0.017 0.000 1.036 756 I CA -0.236 61.068 61.300 0.006 0.000 1.221 756 I CB 1.151 39.136 38.000 -0.024 0.000 1.385 756 I HN 0.615 nan 8.210 nan 0.000 0.472 757 A N 8.265 131.139 122.820 0.090 0.000 2.294 757 A HA 0.598 4.936 4.320 0.030 0.000 0.316 757 A C -0.123 177.552 177.584 0.152 0.000 1.359 757 A CA -0.480 51.563 52.037 0.010 0.000 0.956 757 A CB 0.118 19.308 19.000 0.317 0.000 1.155 757 A HN 0.689 nan 8.150 nan 0.000 0.544 758 L N 2.614 123.897 121.223 0.100 0.000 2.426 758 L HA 0.201 4.559 4.340 0.030 0.000 0.271 758 L C 0.683 177.696 176.870 0.238 0.000 1.169 758 L CA -0.649 54.291 54.840 0.166 0.000 0.836 758 L CB 0.502 42.648 42.059 0.145 0.000 1.112 758 L HN 0.873 nan 8.230 nan 0.000 0.465 759 D N 0.889 121.370 120.400 0.135 0.000 2.440 759 D HA 0.027 4.685 4.640 0.030 0.000 0.269 759 D C 0.689 177.032 176.300 0.073 0.000 1.249 759 D CA -0.445 53.609 54.000 0.090 0.000 1.055 759 D CB 0.474 41.297 40.800 0.038 0.000 1.104 759 D HN 0.486 nan 8.370 nan 0.000 0.561 760 E N -0.951 119.271 120.200 0.036 0.000 2.204 760 E HA -0.117 4.251 4.350 0.030 0.000 0.195 760 E C 0.832 177.449 176.600 0.028 0.000 0.990 760 E CA 0.987 57.402 56.400 0.026 0.000 0.821 760 E CB -0.317 29.389 29.700 0.010 0.000 0.750 760 E HN 0.333 nan 8.360 nan 0.000 0.477 761 N N 0.898 119.615 118.700 0.027 0.000 2.314 761 N HA 0.004 4.762 4.740 0.030 0.000 0.200 761 N C -0.467 175.062 175.510 0.031 0.000 1.135 761 N CA 0.194 53.257 53.050 0.022 0.000 0.835 761 N CB 0.539 39.034 38.487 0.014 0.000 0.989 761 N HN -0.063 nan 8.380 nan 0.000 0.478 762 K N 0.461 120.893 120.400 0.053 0.000 3.071 762 K HA -0.179 4.159 4.320 0.030 0.000 0.265 762 K C -0.509 176.142 176.600 0.085 0.000 1.060 762 K CA 0.800 57.137 56.287 0.082 0.000 0.767 762 K CB -2.024 30.520 32.500 0.074 0.000 1.241 762 K HN 0.552 nan 8.250 nan 0.000 0.486 763 E N -0.760 119.476 120.200 0.060 0.000 2.359 763 E HA 0.835 5.204 4.350 0.030 0.000 0.266 763 E C -0.617 175.997 176.600 0.023 0.000 0.920 763 E CA -0.896 55.527 56.400 0.038 0.000 0.788 763 E CB 2.323 32.028 29.700 0.007 0.000 1.279 763 E HN 0.230 nan 8.360 nan 0.000 0.438 764 A N 1.378 124.199 122.820 0.002 0.000 2.597 764 A HA 0.636 4.975 4.320 0.030 0.000 0.292 764 A C -1.580 175.974 177.584 -0.049 0.000 1.057 764 A CA -0.774 51.238 52.037 -0.041 0.000 0.674 764 A CB 1.640 20.650 19.000 0.018 0.000 1.278 764 A HN 0.464 nan 8.150 nan 0.000 0.416 765 K N -0.363 119.966 120.400 -0.118 0.000 2.532 765 K HA 0.738 5.076 4.320 0.030 0.000 0.265 765 K C -0.278 176.320 176.600 -0.003 0.000 0.948 765 K CA -0.256 56.002 56.287 -0.048 0.000 0.842 765 K CB 2.852 35.297 32.500 -0.092 0.000 1.392 765 K HN 1.485 nan 8.250 nan 0.000 0.436 766 G N 0.611 109.501 108.800 0.150 0.000 2.600 766 G HA2 0.527 4.505 3.960 0.030 0.000 0.293 766 G HA3 0.527 4.505 3.960 0.030 0.000 0.293 766 G C -1.832 173.261 174.900 0.322 0.000 1.408 766 G CA -0.694 44.564 45.100 0.263 0.000 0.782 766 G HN 0.634 nan 8.290 nan 0.000 0.482 767 E N -1.727 118.706 120.200 0.389 0.000 2.449 767 E HA 0.745 5.113 4.350 0.030 0.000 0.278 767 E C -2.043 174.846 176.600 0.481 0.000 0.992 767 E CA -1.075 55.468 56.400 0.239 0.000 0.807 767 E CB 2.664 32.486 29.700 0.202 0.000 1.350 767 E HN 0.753 nan 8.360 nan 0.000 0.462 768 L N 1.291 122.730 121.223 0.360 0.000 2.470 768 L HA 0.551 4.909 4.340 0.030 0.000 0.268 768 L C -1.952 175.178 176.870 0.435 0.000 0.964 768 L CA -0.629 54.532 54.840 0.535 0.000 0.839 768 L CB 1.806 44.297 42.059 0.720 0.000 1.276 768 L HN 0.670 nan 8.230 nan 0.000 0.403 769 F N 5.564 125.690 119.950 0.294 0.000 2.404 769 F HA 0.635 5.179 4.527 0.030 0.000 0.339 769 F C -1.352 174.701 175.800 0.421 0.000 1.105 769 F CA -0.225 57.832 58.000 0.095 0.000 1.087 769 F CB 0.965 39.772 39.000 -0.322 0.000 1.143 769 F HN 0.602 nan 8.300 nan 0.000 0.491 770 W N 8.642 129.551 121.300 -0.652 0.000 3.042 770 W HA 0.279 4.956 4.660 0.030 0.000 0.337 770 W C -1.743 174.428 176.519 -0.580 0.000 1.086 770 W CA -0.672 56.450 57.345 -0.372 0.000 1.236 770 W CB 1.911 31.357 29.460 -0.025 0.000 1.381 770 W HN 0.741 nan 8.180 nan 0.000 0.472 771 D N 1.259 121.128 120.400 -0.885 0.000 2.867 771 D HA 0.143 4.801 4.640 0.030 0.000 0.308 771 D C 0.666 176.302 176.300 -1.106 0.000 1.202 771 D CA -0.226 53.209 54.000 -0.942 0.000 1.035 771 D CB 0.048 40.483 40.800 -0.609 0.000 1.427 771 D HN 0.286 nan 8.370 nan 0.000 0.570 772 D N -1.442 118.324 120.400 -1.056 0.000 2.348 772 D HA 0.110 4.768 4.640 0.030 0.000 0.216 772 D C 1.593 177.626 176.300 -0.446 0.000 0.970 772 D CA 1.233 54.860 54.000 -0.621 0.000 0.889 772 D CB -0.452 40.120 40.800 -0.379 0.000 0.912 772 D HN 0.915 nan 8.370 nan 0.000 0.524 773 G N 0.716 109.270 108.800 -0.410 0.000 2.179 773 G HA2 -0.347 3.631 3.960 0.030 0.000 0.260 773 G HA3 -0.347 3.631 3.960 0.030 0.000 0.260 773 G C 0.648 175.463 174.900 -0.143 0.000 0.977 773 G CA 0.745 45.645 45.100 -0.333 0.000 0.641 773 G HN 0.634 nan 8.290 nan 0.000 0.533 774 E N -2.226 117.910 120.200 -0.107 0.000 2.626 774 E HA 0.094 4.463 4.350 0.030 0.000 0.194 774 E C 0.267 176.842 176.600 -0.041 0.000 0.950 774 E CA 0.404 56.775 56.400 -0.049 0.000 1.583 774 E CB -0.070 29.636 29.700 0.010 0.000 1.881 774 E HN 0.257 nan 8.360 nan 0.000 0.979 775 T N 2.263 116.782 114.554 -0.059 0.000 2.870 775 T HA 0.167 4.535 4.350 0.030 0.000 0.300 775 T C -0.202 174.481 174.700 -0.028 0.000 0.989 775 T CA -0.049 62.029 62.100 -0.037 0.000 1.139 775 T CB 1.479 70.321 68.868 -0.043 0.000 0.920 775 T HN 0.057 nan 8.240 nan 0.000 0.537 776 K N 1.871 122.264 120.400 -0.012 0.000 2.237 776 K HA 0.096 4.434 4.320 0.030 0.000 0.270 776 K C 0.061 176.666 176.600 0.009 0.000 1.015 776 K CA -0.186 56.093 56.287 -0.012 0.000 0.949 776 K CB 0.372 32.874 32.500 0.003 0.000 0.976 776 K HN 0.627 nan 8.250 nan 0.000 0.472 777 D N 0.201 120.610 120.400 0.015 0.000 2.981 777 D HA -0.156 4.502 4.640 0.030 0.000 0.203 777 D C 0.976 177.330 176.300 0.090 0.000 1.049 777 D CA 1.584 55.618 54.000 0.057 0.000 1.003 777 D CB -1.313 39.520 40.800 0.055 0.000 1.085 777 D HN 0.828 nan 8.370 nan 0.000 0.432 778 T N -2.949 111.653 114.554 0.080 0.000 2.915 778 T HA -0.060 4.308 4.350 0.030 0.000 0.269 778 T C 1.941 176.815 174.700 0.290 0.000 1.071 778 T CA 1.562 63.743 62.100 0.136 0.000 1.132 778 T CB -0.215 68.699 68.868 0.077 0.000 0.878 778 T HN 0.155 nan 8.240 nan 0.000 0.479 779 V N 1.961 122.025 119.914 0.250 0.000 2.302 779 V HA 0.112 4.250 4.120 0.030 0.000 0.243 779 V C 3.269 179.570 176.094 0.346 0.000 1.036 779 V CA 1.302 63.795 62.300 0.322 0.000 1.020 779 V CB -1.383 30.584 31.823 0.240 0.000 0.657 779 V HN 0.624 nan 8.190 nan 0.000 0.453 780 A N 0.416 123.376 122.820 0.232 0.000 1.948 780 A HA -0.285 4.054 4.320 0.030 0.000 0.220 780 A C 1.864 179.546 177.584 0.163 0.000 1.177 780 A CA 2.524 54.666 52.037 0.174 0.000 0.636 780 A CB -0.814 18.262 19.000 0.127 0.000 0.815 780 A HN 0.713 nan 8.150 nan 0.000 0.449 781 N N -0.683 118.117 118.700 0.166 0.000 2.280 781 N HA 0.068 4.826 4.740 0.030 0.000 0.192 781 N C -0.654 174.937 175.510 0.135 0.000 1.109 781 N CA -0.087 53.040 53.050 0.128 0.000 0.855 781 N CB 0.219 38.765 38.487 0.098 0.000 0.974 781 N HN 0.146 nan 8.380 nan 0.000 0.482 782 K N 0.331 120.864 120.400 0.221 0.000 3.419 782 K HA -0.135 4.203 4.320 0.030 0.000 0.272 782 K C -1.114 175.492 176.600 0.010 0.000 0.973 782 K CA 0.328 56.679 56.287 0.107 0.000 0.749 782 K CB -2.022 30.478 32.500 0.000 0.000 1.403 782 K HN 0.035 nan 8.250 nan 0.000 0.456 783 V N 2.186 122.191 119.914 0.152 0.000 2.225 783 V HA 0.383 4.521 4.120 0.030 0.000 0.264 783 V C -0.363 175.829 176.094 0.163 0.000 1.067 783 V CA -0.576 61.790 62.300 0.111 0.000 0.903 783 V CB -0.626 31.258 31.823 0.101 0.000 1.136 783 V HN 0.402 nan 8.190 nan 0.000 0.456 784 Y N 1.982 122.304 120.300 0.038 0.000 2.677 784 Y HA 0.795 5.363 4.550 0.030 0.000 0.334 784 Y C -1.596 174.306 175.900 0.003 0.000 1.196 784 Y CA -1.848 56.201 58.100 -0.085 0.000 1.059 784 Y CB 1.665 39.999 38.460 -0.211 0.000 1.315 784 Y HN 0.220 nan 8.280 nan 0.000 0.455 785 L N 3.052 124.372 121.223 0.163 0.000 2.282 785 L HA 0.758 5.116 4.340 0.030 0.000 0.288 785 L C -1.692 175.302 176.870 0.206 0.000 1.033 785 L CA -0.732 54.200 54.840 0.155 0.000 0.807 785 L CB 1.333 43.522 42.059 0.217 0.000 1.209 785 L HN 0.759 nan 8.230 nan 0.000 0.423 786 L N 6.617 127.967 121.223 0.211 0.000 2.381 786 L HA 0.724 5.082 4.340 0.030 0.000 0.274 786 L C -0.769 176.171 176.870 0.117 0.000 0.988 786 L CA -0.141 54.839 54.840 0.233 0.000 0.824 786 L CB 1.292 43.566 42.059 0.360 0.000 1.263 786 L HN 0.951 nan 8.230 nan 0.000 0.410 787 C N 2.203 121.531 119.300 0.047 0.000 2.779 787 C HA 0.968 5.446 4.460 0.030 0.000 0.314 787 C C -0.982 173.773 174.990 -0.393 0.000 1.231 787 C CA -0.638 58.298 59.018 -0.137 0.000 1.652 787 C CB 2.008 29.666 27.740 -0.135 0.000 2.198 787 C HN 0.822 nan 8.230 nan 0.000 0.483 788 E N 0.969 120.889 120.200 -0.466 0.000 2.248 788 E HA 0.599 4.967 4.350 0.030 0.000 0.267 788 E C -1.755 174.534 176.600 -0.517 0.000 0.877 788 E CA -0.260 55.865 56.400 -0.458 0.000 0.759 788 E CB 1.735 31.355 29.700 -0.134 0.000 1.182 788 E HN 0.632 nan 8.360 nan 0.000 0.418 789 F N 0.916 120.889 119.950 0.037 0.000 2.458 789 F HA 0.435 4.980 4.527 0.030 0.000 0.336 789 F C 0.304 176.104 175.800 0.001 0.000 1.114 789 F CA -0.753 57.246 58.000 -0.001 0.000 0.987 789 F CB 1.880 40.854 39.000 -0.043 0.000 1.130 789 F HN 0.300 nan 8.300 nan 0.000 0.458 790 S N 1.324 117.117 115.700 0.156 0.000 2.538 790 S HA 0.836 5.324 4.470 0.030 0.000 0.288 790 S C -1.212 173.440 174.600 0.086 0.000 1.108 790 S CA -0.879 57.375 58.200 0.090 0.000 0.971 790 S CB 1.839 65.064 63.200 0.042 0.000 1.041 790 S HN 0.336 nan 8.310 nan 0.000 0.483 791 V N 2.381 122.338 119.914 0.071 0.000 2.409 791 V HA 0.676 4.814 4.120 0.030 0.000 0.291 791 V C -0.571 175.542 176.094 0.031 0.000 1.020 791 V CA -0.284 62.063 62.300 0.078 0.000 0.848 791 V CB 1.657 33.576 31.823 0.161 0.000 0.990 791 V HN 1.077 nan 8.190 nan 0.000 0.430 792 T N 4.361 118.903 114.554 -0.021 0.000 2.937 792 T HA 0.367 4.735 4.350 0.030 0.000 0.297 792 T C -0.430 174.218 174.700 -0.088 0.000 0.991 792 T CA -0.657 61.423 62.100 -0.034 0.000 0.990 792 T CB 1.413 70.260 68.868 -0.035 0.000 0.991 792 T HN 0.920 nan 8.240 nan 0.000 0.440 793 Q N 3.207 122.976 119.800 -0.053 0.000 3.464 793 Q HA -0.258 4.100 4.340 0.030 0.000 0.397 793 Q C 0.098 175.941 176.000 -0.262 0.000 1.094 793 Q CA 1.669 57.431 55.803 -0.068 0.000 1.107 793 Q CB -0.901 27.827 28.738 -0.016 0.000 1.235 793 Q HN 0.882 nan 8.270 nan 0.000 0.547 794 N N 0.344 118.731 118.700 -0.522 0.000 2.948 794 N HA -0.264 4.494 4.740 0.030 0.000 0.239 794 N C -0.664 173.991 175.510 -1.426 0.000 0.954 794 N CA 0.886 53.219 53.050 -1.195 0.000 0.941 794 N CB -0.579 37.580 38.487 -0.545 0.000 1.101 794 N HN 0.809 nan 8.380 nan 0.000 0.579 795 R N 0.743 120.581 120.500 -1.103 0.000 2.518 795 R HA 0.402 4.760 4.340 0.030 0.000 0.287 795 R C -2.004 174.152 176.300 -0.239 0.000 1.135 795 R CA -0.667 55.086 56.100 -0.578 0.000 0.967 795 R CB 0.976 31.097 30.300 -0.298 0.000 1.212 795 R HN 0.105 nan 8.270 nan 0.000 0.422 796 L N 3.539 124.763 121.223 0.001 0.000 2.275 796 L HA 0.466 4.824 4.340 0.030 0.000 0.288 796 L C -0.817 176.120 176.870 0.111 0.000 1.046 796 L CA 0.309 55.237 54.840 0.147 0.000 0.805 796 L CB 1.385 43.600 42.059 0.259 0.000 1.193 796 L HN 0.590 nan 8.230 nan 0.000 0.426 797 E N 4.410 124.672 120.200 0.104 0.000 2.171 797 E HA 0.448 4.816 4.350 0.030 0.000 0.271 797 E C -1.255 175.430 176.600 0.142 0.000 0.916 797 E CA -0.885 55.577 56.400 0.103 0.000 0.774 797 E CB 2.406 32.140 29.700 0.057 0.000 1.128 797 E HN 0.427 nan 8.360 nan 0.000 0.403 798 V N 3.724 123.736 119.914 0.164 0.000 2.328 798 V HA 0.218 4.356 4.120 0.030 0.000 0.278 798 V C -0.101 176.034 176.094 0.069 0.000 1.021 798 V CA -0.801 61.596 62.300 0.162 0.000 0.838 798 V CB 1.028 33.032 31.823 0.302 0.000 0.999 798 V HN 0.554 nan 8.190 nan 0.000 0.447 799 N N 4.234 122.924 118.700 -0.017 0.000 2.417 799 N HA 0.541 5.299 4.740 0.030 0.000 0.300 799 N C -1.061 174.428 175.510 -0.036 0.000 1.102 799 N CA -0.618 52.422 53.050 -0.017 0.000 0.886 799 N CB 1.670 40.145 38.487 -0.020 0.000 1.203 799 N HN 0.393 nan 8.380 nan 0.000 0.496 800 I N 2.111 122.679 120.570 -0.004 0.000 2.382 800 I HA 0.153 4.341 4.170 0.030 0.000 0.286 800 I C 1.326 177.451 176.117 0.014 0.000 1.002 800 I CA -0.324 60.981 61.300 0.008 0.000 1.135 800 I CB 0.810 38.825 38.000 0.025 0.000 1.288 800 I HN 0.630 nan 8.210 nan 0.000 0.448 801 S N 4.438 120.155 115.700 0.027 0.000 2.483 801 S HA 0.109 4.597 4.470 0.030 0.000 0.221 801 S C 0.631 175.250 174.600 0.032 0.000 1.030 801 S CA 0.065 58.289 58.200 0.040 0.000 0.925 801 S CB 0.321 63.561 63.200 0.066 0.000 0.795 801 S HN 0.619 nan 8.310 nan 0.000 0.511 802 Q N 0.590 120.404 119.800 0.023 0.000 2.285 802 Q HA 0.641 4.999 4.340 0.030 0.000 0.269 802 Q C -1.267 174.696 176.000 -0.062 0.000 1.030 802 Q CA -0.214 55.548 55.803 -0.068 0.000 0.788 802 Q CB 2.166 30.790 28.738 -0.190 0.000 1.266 802 Q HN 0.088 nan 8.270 nan 0.000 0.438 803 S N 2.417 118.076 115.700 -0.069 0.000 2.399 803 S HA 0.233 4.721 4.470 0.030 0.000 0.198 803 S C -0.311 174.273 174.600 -0.026 0.000 1.294 803 S CA 0.250 58.437 58.200 -0.022 0.000 1.237 803 S CB -0.084 63.115 63.200 -0.002 0.000 1.286 803 S HN 0.718 nan 8.310 nan 0.000 0.404 804 T N -0.965 113.561 114.554 -0.047 0.000 3.174 804 T HA 0.339 4.707 4.350 0.030 0.000 0.269 804 T C -0.401 174.359 174.700 0.098 0.000 1.017 804 T CA -0.297 61.797 62.100 -0.010 0.000 0.899 804 T CB -0.176 68.658 68.868 -0.058 0.000 1.077 804 T HN 0.423 nan 8.240 nan 0.000 0.552 805 Y N 1.268 121.552 120.300 -0.027 0.000 2.361 805 Y HA 0.612 5.179 4.550 0.030 0.000 0.328 805 Y C -1.127 174.796 175.900 0.038 0.000 1.044 805 Y CA -1.708 56.397 58.100 0.008 0.000 1.085 805 Y CB 1.764 40.230 38.460 0.011 0.000 1.194 805 Y HN 0.029 nan 8.280 nan 0.000 0.438 806 K N 5.539 125.614 120.400 -0.541 0.000 2.425 806 K HA 0.224 4.562 4.320 0.030 0.000 0.259 806 K C -0.911 175.252 176.600 -0.728 0.000 0.978 806 K CA -0.589 55.428 56.287 -0.451 0.000 0.883 806 K CB 0.729 33.102 32.500 -0.211 0.000 1.110 806 K HN 0.724 nan 8.250 nan 0.000 0.436 807 D N 5.453 125.551 120.400 -0.505 0.000 2.458 807 D HA -0.009 4.649 4.640 0.030 0.000 0.243 807 D C -1.332 174.886 176.300 -0.137 0.000 1.146 807 D CA -1.108 52.761 54.000 -0.218 0.000 0.877 807 D CB 1.318 42.241 40.800 0.205 0.000 1.176 807 D HN 0.448 nan 8.370 nan 0.000 0.461 808 P HA -0.007 nan 4.420 nan 0.000 0.241 808 P C -0.048 177.233 177.300 -0.032 0.000 1.191 808 P CA 0.441 63.505 63.100 -0.060 0.000 0.771 808 P CB 0.145 31.823 31.700 -0.036 0.000 0.929 809 N N 0.515 119.207 118.700 -0.013 0.000 2.322 809 N HA 0.022 4.780 4.740 0.030 0.000 0.216 809 N C -0.107 175.381 175.510 -0.036 0.000 1.144 809 N CA -0.237 52.805 53.050 -0.012 0.000 0.830 809 N CB -0.760 37.734 38.487 0.012 0.000 1.034 809 N HN -0.095 nan 8.380 nan 0.000 0.484 810 N N 1.137 119.808 118.700 -0.048 0.000 2.669 810 N HA -0.181 4.577 4.740 0.030 0.000 0.266 810 N C -1.175 174.280 175.510 -0.092 0.000 1.024 810 N CA 0.427 53.441 53.050 -0.060 0.000 0.766 810 N CB -0.707 37.756 38.487 -0.041 0.000 0.898 810 N HN 0.311 nan 8.380 nan 0.000 0.548 811 L N 0.171 121.311 121.223 -0.138 0.000 2.375 811 L HA 0.732 5.090 4.340 0.030 0.000 0.271 811 L C 0.755 177.461 176.870 -0.274 0.000 1.107 811 L CA -0.359 54.344 54.840 -0.229 0.000 0.806 811 L CB 1.360 43.214 42.059 -0.340 0.000 1.146 811 L HN 0.431 nan 8.230 nan 0.000 0.447 812 A N 2.144 124.769 122.820 -0.325 0.000 2.566 812 A HA 0.619 4.957 4.320 0.030 0.000 0.297 812 A C -1.092 176.262 177.584 -0.383 0.000 1.059 812 A CA -0.648 51.194 52.037 -0.325 0.000 0.691 812 A CB 0.729 19.637 19.000 -0.153 0.000 1.282 812 A HN 0.419 nan 8.150 nan 0.000 0.401 813 F N 2.667 122.547 119.950 -0.117 0.000 2.557 813 F HA 0.137 4.683 4.527 0.031 0.000 0.384 813 F C 1.595 177.320 175.800 -0.126 0.000 1.057 813 F CA 0.473 58.401 58.000 -0.122 0.000 1.169 813 F CB 0.402 39.323 39.000 -0.133 0.000 1.070 813 F HN 0.692 nan 8.300 nan 0.000 0.554 814 N N 1.369 120.086 118.700 0.029 0.000 2.187 814 N HA 0.052 4.811 4.740 0.030 0.000 0.212 814 N C -0.411 175.094 175.510 -0.008 0.000 1.152 814 N CA -0.063 52.981 53.050 -0.009 0.000 0.872 814 N CB 0.448 38.917 38.487 -0.030 0.000 1.025 814 N HN 0.737 nan 8.380 nan 0.000 0.514 815 E N 0.451 120.658 120.200 0.012 0.000 2.304 815 E HA 0.437 4.805 4.350 0.030 0.000 0.277 815 E C -1.562 175.016 176.600 -0.036 0.000 0.898 815 E CA -0.589 55.799 56.400 -0.019 0.000 0.764 815 E CB 1.803 31.491 29.700 -0.020 0.000 1.216 815 E HN 0.117 nan 8.360 nan 0.000 0.419 816 I N 3.902 124.423 120.570 -0.081 0.000 2.418 816 I HA 0.351 4.540 4.170 0.030 0.000 0.287 816 I C -0.435 175.601 176.117 -0.135 0.000 1.008 816 I CA -0.741 60.485 61.300 -0.122 0.000 1.104 816 I CB 1.789 39.700 38.000 -0.150 0.000 1.264 816 I HN 0.249 nan 8.210 nan 0.000 0.438 817 K N 7.582 127.902 120.400 -0.132 0.000 2.265 817 K HA 0.647 4.985 4.320 0.030 0.000 0.267 817 K C -1.197 175.305 176.600 -0.163 0.000 0.994 817 K CA -0.480 55.720 56.287 -0.146 0.000 0.860 817 K CB 1.175 33.589 32.500 -0.143 0.000 1.099 817 K HN 0.566 nan 8.250 nan 0.000 0.448 818 I N 6.077 126.537 120.570 -0.184 0.000 2.354 818 I HA 0.275 4.463 4.170 0.030 0.000 0.292 818 I C -0.393 175.608 176.117 -0.194 0.000 0.989 818 I CA -0.858 60.331 61.300 -0.185 0.000 1.188 818 I CB 1.321 39.176 38.000 -0.243 0.000 1.342 818 I HN 0.404 nan 8.210 nan 0.000 0.457 819 L N 5.213 126.262 121.223 -0.290 0.000 2.322 819 L HA 0.550 4.908 4.340 0.030 0.000 0.279 819 L C 1.063 177.718 176.870 -0.358 0.000 1.036 819 L CA -0.629 53.906 54.840 -0.508 0.000 0.807 819 L CB 1.408 42.793 42.059 -1.124 0.000 1.226 819 L HN 0.932 nan 8.230 nan 0.000 0.433 820 G N 1.136 109.888 108.800 -0.079 0.000 2.295 820 G HA2 -0.247 3.731 3.960 0.030 0.000 0.287 820 G HA3 -0.247 3.731 3.960 0.030 0.000 0.287 820 G C 0.070 175.055 174.900 0.142 0.000 1.055 820 G CA 0.613 45.846 45.100 0.221 0.000 0.922 820 G HN 0.701 nan 8.290 nan 0.000 0.503 821 T N -0.730 113.899 114.554 0.125 0.000 2.912 821 T HA 0.573 4.941 4.350 0.030 0.000 0.288 821 T C 0.261 175.077 174.700 0.194 0.000 1.030 821 T CA -0.599 61.590 62.100 0.149 0.000 1.020 821 T CB 1.248 70.184 68.868 0.113 0.000 1.056 821 T HN 0.190 nan 8.240 nan 0.000 0.480 822 E N 1.820 122.089 120.200 0.115 0.000 2.371 822 E HA 0.143 4.511 4.350 0.030 0.000 0.257 822 E C 0.034 176.557 176.600 -0.129 0.000 1.134 822 E CA -0.375 56.065 56.400 0.067 0.000 0.919 822 E CB 0.544 30.238 29.700 -0.010 0.000 1.025 822 E HN 0.726 nan 8.360 nan 0.000 0.438 823 E N 2.295 122.152 120.200 -0.572 0.000 2.606 823 E HA -0.006 4.363 4.350 0.030 0.000 0.248 823 E C -2.111 174.233 176.600 -0.427 0.000 1.005 823 E CA -1.176 54.577 56.400 -1.078 0.000 0.946 823 E CB 0.297 29.470 29.700 -0.878 0.000 0.928 823 E HN 0.004 nan 8.360 nan 0.000 0.494 824 P HA 0.067 nan 4.420 nan 0.000 0.279 824 P C -1.218 175.936 177.300 -0.242 0.000 1.239 824 P CA -0.351 62.500 63.100 -0.415 0.000 0.789 824 P CB 1.495 32.784 31.700 -0.685 0.000 0.933 825 S N 0.862 116.484 115.700 -0.130 0.000 2.632 825 S HA 0.490 4.979 4.470 0.030 0.000 0.289 825 S C -0.460 174.136 174.600 -0.006 0.000 1.115 825 S CA -0.777 57.383 58.200 -0.065 0.000 0.889 825 S CB 0.562 63.731 63.200 -0.052 0.000 1.116 825 S HN 0.375 nan 8.310 nan 0.000 0.486 826 N N -0.188 118.511 118.700 -0.001 0.000 2.688 826 N HA -0.111 4.647 4.740 0.030 0.000 0.258 826 N C -0.555 174.986 175.510 0.052 0.000 1.016 826 N CA 0.689 53.750 53.050 0.018 0.000 0.747 826 N CB -1.817 36.678 38.487 0.014 0.000 0.895 826 N HN 0.664 nan 8.380 nan 0.000 0.543 827 V N 0.560 120.503 119.914 0.049 0.000 2.446 827 V HA 0.124 4.262 4.120 0.030 0.000 0.276 827 V C 1.035 177.171 176.094 0.071 0.000 1.030 827 V CA 0.253 62.605 62.300 0.086 0.000 1.033 827 V CB 0.867 32.711 31.823 0.035 0.000 0.993 827 V HN 0.310 nan 8.190 nan 0.000 0.477 828 T N 4.780 119.390 114.554 0.092 0.000 2.856 828 T HA 0.612 4.980 4.350 0.030 0.000 0.283 828 T C -0.381 174.375 174.700 0.093 0.000 1.008 828 T CA -0.469 61.675 62.100 0.074 0.000 0.997 828 T CB 1.887 70.789 68.868 0.056 0.000 0.992 828 T HN 0.326 nan 8.240 nan 0.000 0.454 829 V N 3.970 123.939 119.914 0.092 0.000 2.407 829 V HA 0.445 4.583 4.120 0.030 0.000 0.291 829 V C -0.214 175.977 176.094 0.162 0.000 1.018 829 V CA -0.868 61.505 62.300 0.121 0.000 0.842 829 V CB 1.398 33.270 31.823 0.082 0.000 0.996 829 V HN 0.733 nan 8.190 nan 0.000 0.426 830 K N 2.784 123.298 120.400 0.189 0.000 2.207 830 K HA 0.547 4.886 4.320 0.030 0.000 0.255 830 K C -0.869 175.882 176.600 0.252 0.000 0.941 830 K CA -0.752 55.645 56.287 0.184 0.000 0.825 830 K CB 2.399 34.966 32.500 0.111 0.000 1.119 830 K HN 0.805 nan 8.250 nan 0.000 0.430 831 H N 3.370 122.481 119.070 0.067 0.000 2.638 831 H HA 0.134 4.708 4.556 0.030 0.000 0.303 831 H C -0.560 174.710 175.328 -0.097 0.000 1.034 831 H CA -0.509 55.471 56.048 -0.114 0.000 1.225 831 H CB 0.314 30.010 29.762 -0.110 0.000 1.394 831 H HN 0.631 nan 8.280 nan 0.000 0.477 832 N N 4.103 122.861 118.700 0.096 0.000 2.725 832 N HA -0.196 4.562 4.740 0.030 0.000 0.251 832 N C 1.059 176.572 175.510 0.006 0.000 1.031 832 N CA 1.316 54.373 53.050 0.010 0.000 0.720 832 N CB -1.312 37.138 38.487 -0.062 0.000 0.930 832 N HN 1.125 nan 8.380 nan 0.000 0.543 833 G N -2.535 106.285 108.800 0.033 0.000 2.184 833 G HA2 -0.350 3.628 3.960 0.030 0.000 0.264 833 G HA3 -0.350 3.628 3.960 0.030 0.000 0.264 833 G C 0.066 174.984 174.900 0.029 0.000 0.975 833 G CA 0.447 45.563 45.100 0.027 0.000 0.642 833 G HN 0.554 nan 8.290 nan 0.000 0.536 834 V N 2.521 122.457 119.914 0.037 0.000 2.334 834 V HA 0.535 4.673 4.120 0.030 0.000 0.267 834 V C -1.830 174.307 176.094 0.071 0.000 1.040 834 V CA -1.434 60.886 62.300 0.034 0.000 0.866 834 V CB 1.502 33.324 31.823 -0.001 0.000 1.019 834 V HN 0.242 nan 8.190 nan 0.000 0.468 835 P HA 0.595 nan 4.420 nan 0.000 0.304 835 P C -0.630 176.702 177.300 0.054 0.000 1.366 835 P CA -0.263 62.878 63.100 0.069 0.000 0.859 835 P CB 2.015 33.748 31.700 0.055 0.000 0.961 840 P HA 0.234 nan 4.420 nan 0.000 0.270 840 P C -0.297 176.990 177.300 -0.021 0.000 1.223 840 P CA -0.069 63.021 63.100 -0.016 0.000 0.785 840 P CB 0.198 31.884 31.700 -0.024 0.000 0.923 841 T N 0.829 115.368 114.554 -0.026 0.000 2.869 841 T HA 0.309 4.677 4.350 0.030 0.000 0.295 841 T C -0.013 174.663 174.700 -0.040 0.000 0.987 841 T CA -0.169 61.915 62.100 -0.028 0.000 1.109 841 T CB 0.371 69.224 68.868 -0.024 0.000 0.932 841 T HN 0.117 nan 8.240 nan 0.000 0.518 842 V N 4.032 123.923 119.914 -0.038 0.000 2.483 842 V HA 0.418 4.556 4.120 0.030 0.000 0.297 842 V C 0.100 176.183 176.094 -0.019 0.000 1.027 842 V CA -0.853 61.417 62.300 -0.049 0.000 0.855 842 V CB 2.026 33.805 31.823 -0.073 0.000 0.995 842 V HN 0.964 nan 8.190 nan 0.000 0.424 843 T N 4.763 119.310 114.554 -0.013 0.000 2.794 843 T HA 0.608 4.976 4.350 0.030 0.000 0.280 843 T C -1.210 173.528 174.700 0.063 0.000 0.987 843 T CA -0.342 61.763 62.100 0.008 0.000 0.993 843 T CB 1.220 70.073 68.868 -0.025 0.000 0.939 843 T HN 0.542 nan 8.240 nan 0.000 0.449 844 Y N 2.117 122.375 120.300 -0.070 0.000 2.442 844 Y HA 0.452 5.020 4.550 0.030 0.000 0.344 844 Y C -1.162 174.705 175.900 -0.054 0.000 0.976 844 Y CA -1.400 56.658 58.100 -0.070 0.000 1.040 844 Y CB 1.639 40.060 38.460 -0.064 0.000 1.228 844 Y HN 0.530 nan 8.280 nan 0.000 0.451 845 D N 3.217 123.107 120.400 -0.849 0.000 2.460 845 D HA 0.139 4.797 4.640 0.030 0.000 0.232 845 D C 0.559 176.286 176.300 -0.955 0.000 1.079 845 D CA 0.144 53.760 54.000 -0.640 0.000 0.864 845 D CB 1.420 42.000 40.800 -0.367 0.000 1.048 845 D HN 0.687 nan 8.370 nan 0.000 0.523 846 S N 3.089 118.412 115.700 -0.628 0.000 2.428 846 S HA -0.160 4.328 4.470 0.030 0.000 0.230 846 S C 1.552 176.061 174.600 -0.152 0.000 1.014 846 S CA 0.523 58.549 58.200 -0.290 0.000 0.957 846 S CB -0.122 63.109 63.200 0.053 0.000 0.784 846 S HN 0.577 nan 8.310 nan 0.000 0.499 847 N N 0.998 119.605 118.700 -0.154 0.000 2.106 847 N HA -0.066 4.693 4.740 0.030 0.000 0.188 847 N C 1.371 176.822 175.510 -0.098 0.000 1.029 847 N CA 1.365 54.357 53.050 -0.096 0.000 0.848 847 N CB -0.196 38.239 38.487 -0.086 0.000 1.007 847 N HN 0.329 nan 8.380 nan 0.000 0.423 848 L N 1.411 122.546 121.223 -0.146 0.000 2.492 848 L HA 0.131 4.489 4.340 0.030 0.000 0.223 848 L C 0.424 177.243 176.870 -0.085 0.000 1.132 848 L CA 0.760 55.535 54.840 -0.109 0.000 0.850 848 L CB -0.367 41.615 42.059 -0.127 0.000 0.966 848 L HN 0.110 nan 8.230 nan 0.000 0.454 849 K N -0.478 119.838 120.400 -0.140 0.000 3.125 849 K HA -0.128 4.210 4.320 0.030 0.000 0.268 849 K C -0.698 175.890 176.600 -0.021 0.000 1.078 849 K CA 0.260 56.537 56.287 -0.017 0.000 0.775 849 K CB -2.594 29.964 32.500 0.096 0.000 1.253 849 K HN 0.096 nan 8.250 nan 0.000 0.486 850 V N 0.157 119.954 119.914 -0.194 0.000 2.448 850 V HA 0.699 4.837 4.120 0.030 0.000 0.295 850 V C 0.351 176.397 176.094 -0.080 0.000 1.025 850 V CA -0.677 61.542 62.300 -0.136 0.000 0.859 850 V CB 1.970 33.689 31.823 -0.173 0.000 0.988 850 V HN 0.405 nan 8.190 nan 0.000 0.431 851 A N 6.082 128.926 122.820 0.041 0.000 2.317 851 A HA 0.920 5.258 4.320 0.030 0.000 0.327 851 A C -0.750 176.785 177.584 -0.082 0.000 1.178 851 A CA -0.530 51.546 52.037 0.064 0.000 0.817 851 A CB 0.743 19.740 19.000 -0.005 0.000 1.189 851 A HN 0.781 nan 8.150 nan 0.000 0.489 852 I N 2.816 123.340 120.570 -0.076 0.000 2.389 852 I HA 0.344 4.532 4.170 0.030 0.000 0.288 852 I C -0.738 175.320 176.117 -0.098 0.000 0.999 852 I CA -0.209 61.031 61.300 -0.099 0.000 1.129 852 I CB 1.720 39.669 38.000 -0.085 0.000 1.288 852 I HN 0.486 nan 8.210 nan 0.000 0.444 853 I N 6.205 126.705 120.570 -0.117 0.000 2.312 853 I HA 0.350 4.538 4.170 0.030 0.000 0.290 853 I C 0.461 176.533 176.117 -0.076 0.000 1.008 853 I CA -0.128 61.108 61.300 -0.106 0.000 1.226 853 I CB 1.283 39.203 38.000 -0.134 0.000 1.371 853 I HN 0.647 nan 8.210 nan 0.000 0.468 854 T N 0.113 114.632 114.554 -0.058 0.000 2.762 854 T HA 0.379 4.747 4.350 0.030 0.000 0.272 854 T C 0.035 174.713 174.700 -0.037 0.000 0.982 854 T CA -0.630 61.444 62.100 -0.044 0.000 1.013 854 T CB 1.374 70.220 68.868 -0.038 0.000 1.309 854 T HN 0.578 nan 8.240 nan 0.000 0.572 855 D N -0.419 119.962 120.400 -0.030 0.000 2.697 855 D HA -0.158 4.500 4.640 0.030 0.000 0.238 855 D C -0.719 175.564 176.300 -0.028 0.000 1.152 855 D CA 0.637 54.622 54.000 -0.025 0.000 0.666 855 D CB -1.328 39.460 40.800 -0.020 0.000 1.037 855 D HN 0.729 nan 8.370 nan 0.000 0.423 856 I N 0.064 120.612 120.570 -0.037 0.000 2.994 856 I HA 0.431 4.619 4.170 0.030 0.000 0.306 856 I C -1.203 174.877 176.117 -0.062 0.000 1.195 856 I CA -0.875 60.395 61.300 -0.051 0.000 1.001 856 I CB 2.072 40.035 38.000 -0.062 0.000 1.244 856 I HN -0.054 nan 8.210 nan 0.000 0.437 857 D N 5.998 126.341 120.400 -0.094 0.000 2.472 857 D HA 0.299 4.958 4.640 0.030 0.000 0.248 857 D C -1.449 174.730 176.300 -0.201 0.000 1.271 857 D CA -0.213 53.729 54.000 -0.097 0.000 0.888 857 D CB 0.675 41.448 40.800 -0.045 0.000 1.337 857 D HN 0.251 nan 8.370 nan 0.000 0.526 858 L N 3.707 124.774 121.223 -0.260 0.000 2.288 858 L HA 0.388 4.746 4.340 0.030 0.000 0.283 858 L C 0.330 177.138 176.870 -0.103 0.000 1.072 858 L CA -0.766 53.742 54.840 -0.552 0.000 0.862 858 L CB 0.578 42.358 42.059 -0.465 0.000 1.245 858 L HN 0.247 nan 8.230 nan 0.000 0.432 859 L N 3.931 125.184 121.223 0.049 0.000 2.584 859 L HA -0.042 4.316 4.340 0.030 0.000 0.272 859 L C 0.465 177.412 176.870 0.129 0.000 1.195 859 L CA -0.261 54.635 54.840 0.092 0.000 0.920 859 L CB 0.148 42.289 42.059 0.138 0.000 1.173 859 L HN 0.445 nan 8.230 nan 0.000 0.489 860 L N 4.627 125.807 121.223 -0.073 0.000 2.615 860 L HA 0.114 4.472 4.340 0.030 0.000 0.284 860 L C 1.150 178.044 176.870 0.040 0.000 1.237 860 L CA 1.754 56.545 54.840 -0.081 0.000 0.905 860 L CB 0.286 42.151 42.059 -0.324 0.000 1.149 860 L HN 0.856 nan 8.230 nan 0.000 0.499 861 G N 2.314 111.184 108.800 0.117 0.000 2.175 861 G HA2 -0.183 3.795 3.960 0.030 0.000 0.244 861 G HA3 -0.183 3.795 3.960 0.030 0.000 0.244 861 G C 0.146 175.100 174.900 0.091 0.000 0.982 861 G CA 0.108 45.264 45.100 0.092 0.000 0.641 861 G HN 0.590 nan 8.290 nan 0.000 0.527 862 E N 0.249 120.526 120.200 0.129 0.000 2.207 862 E HA 0.691 5.059 4.350 0.030 0.000 0.270 862 E C 0.355 176.910 176.600 -0.076 0.000 0.927 862 E CA 0.034 56.427 56.400 -0.012 0.000 0.799 862 E CB 1.750 31.329 29.700 -0.202 0.000 1.172 862 E HN 0.738 nan 8.360 nan 0.000 0.404 863 A N 2.862 125.578 122.820 -0.173 0.000 2.401 863 A HA 0.523 4.861 4.320 0.030 0.000 0.259 863 A C -1.085 176.264 177.584 -0.392 0.000 1.103 863 A CA 0.037 52.001 52.037 -0.121 0.000 0.789 863 A CB 0.071 19.048 19.000 -0.038 0.000 1.035 863 A HN 0.530 nan 8.150 nan 0.000 0.491 864 Y N -0.420 119.894 120.300 0.022 0.000 2.588 864 Y HA 0.533 5.101 4.550 0.030 0.000 0.343 864 Y C 0.231 176.159 175.900 0.047 0.000 1.065 864 Y CA -0.494 57.617 58.100 0.018 0.000 1.038 864 Y CB 2.608 41.065 38.460 -0.006 0.000 1.297 864 Y HN 0.555 nan 8.280 nan 0.000 0.467 865 T N 2.301 116.989 114.554 0.224 0.000 2.809 865 T HA 0.560 4.928 4.350 0.030 0.000 0.284 865 T C -1.131 173.660 174.700 0.152 0.000 0.992 865 T CA -0.628 61.558 62.100 0.145 0.000 0.957 865 T CB 0.999 69.915 68.868 0.081 0.000 0.942 865 T HN 0.299 nan 8.240 nan 0.000 0.439 866 V N 3.907 123.909 119.914 0.147 0.000 2.398 866 V HA 0.487 4.625 4.120 0.030 0.000 0.286 866 V C 0.054 176.252 176.094 0.173 0.000 1.026 866 V CA -0.679 61.727 62.300 0.177 0.000 0.868 866 V CB 1.558 33.503 31.823 0.202 0.000 0.982 866 V HN 0.824 nan 8.190 nan 0.000 0.443 867 E N 3.590 123.879 120.200 0.149 0.000 2.266 867 E HA 0.611 4.980 4.350 0.030 0.000 0.268 867 E C -1.487 175.204 176.600 0.152 0.000 0.879 867 E CA -0.644 55.756 56.400 0.000 0.000 0.762 867 E CB 2.803 32.474 29.700 -0.049 0.000 1.199 867 E HN 0.735 nan 8.360 nan 0.000 0.422 868 W N 1.304 122.556 121.300 -0.080 0.000 3.042 868 W HA 0.807 5.486 4.660 0.030 0.000 0.342 868 W C -1.576 174.829 176.519 -0.190 0.000 1.240 868 W CA -0.851 56.408 57.345 -0.145 0.000 1.166 868 W CB 0.400 29.742 29.460 -0.197 0.000 1.469 868 W HN 0.521 nan 8.180 nan 0.000 0.579 869 A N 0.804 123.623 122.820 -0.002 0.000 2.344 869 A HA 0.877 5.216 4.320 0.030 0.000 0.307 869 A C -1.011 176.448 177.584 -0.208 0.000 1.151 869 A CA -0.684 51.298 52.037 -0.092 0.000 0.842 869 A CB 1.166 20.150 19.000 -0.027 0.000 1.350 869 A HN 0.827 nan 8.150 nan 0.000 0.459 870 H N 0.000 119.121 119.070 0.086 0.000 2.539 870 H HA 0.000 4.574 4.556 0.030 0.000 0.296 870 H CA 0.000 56.080 56.048 0.054 0.000 1.023 870 H CB 0.000 29.799 29.762 0.061 0.000 1.292 870 H HN 0.000 nan 8.280 nan 0.000 0.496